USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=22 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 42 LYS NZ :NH3+ 151:sc= 1.53 (180deg=0.573) USER MOD Set 1.2: A 77 TYR OH : rot 180:sc= -0.988! USER MOD Set 2.1: A 30 CYS SG : rot 128:sc= -1.07! USER MOD Set 2.2: A 79 CYS SG : rot 110:sc= 1.77 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 18 GLN : amide:sc= -2.17! C(o=-2.2!,f=-2.9!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 33 ASN : amide:sc= -0.726 K(o=-0.73,f=-1.7!) USER MOD Single : A 34 SER OG : rot 180:sc= 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 USER MOD Single : A 57 GLN :FLIP amide:sc= -0.831 F(o=-2.9!,f=-0.83) 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 62 CYS SG : rot 110:sc= -0.712 USER MOD Single : A 65 GLN : amide:sc= -0.079 K(o=-0.079,f=-3.3!) USER MOD Single : A 71 MET CE :methyl 139:sc= -2.11 (180deg=-4.33!) USER MOD Single : A 74 THR OG1 : rot 91:sc= -0.0792 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -88:sc= -1.31! USER MOD Single : A 83 GLN : amide:sc= -0.338 K(o=-0.34,f=-3.1!) USER MOD Single : A 86 THR OG1 : rot 54:sc= 0.128 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 161:sc= -0.0684 (180deg=-0.469) USER MOD Single : A 91 THR OG1 : rot 9:sc= 0.0262 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -14.131 16.328 4.394 1.00 0.00 N ATOM 81 CA ALA A 9 -13.426 16.252 3.121 1.00 0.00 C ATOM 82 C ALA A 9 -13.948 15.098 2.272 1.00 0.00 C ATOM 83 O ALA A 9 -14.251 14.022 2.788 1.00 0.00 O ATOM 84 CB ALA A 9 -11.930 16.102 3.355 1.00 0.00 C ATOM 0 HA ALA A 9 -13.607 17.179 2.578 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.415 16.046 2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.561 16.961 3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.740 15.191 3.922 1.00 0.00 H new ATOM 90 N ARG A 10 -14.053 15.330 0.967 1.00 0.00 N ATOM 91 CA ARG A 10 -14.541 14.310 0.047 1.00 0.00 C ATOM 92 C ARG A 10 -13.496 13.995 -1.019 1.00 0.00 C ATOM 93 O ARG A 10 -12.865 14.896 -1.571 1.00 0.00 O ATOM 94 CB ARG A 10 -15.839 14.772 -0.618 1.00 0.00 C ATOM 95 CG ARG A 10 -15.700 16.076 -1.386 1.00 0.00 C ATOM 96 CD ARG A 10 -16.785 16.219 -2.442 1.00 0.00 C ATOM 97 NE ARG A 10 -18.042 16.697 -1.874 1.00 0.00 N ATOM 98 CZ ARG A 10 -18.314 17.981 -1.669 1.00 0.00 C ATOM 99 NH1 ARG A 10 -17.423 18.910 -1.984 1.00 0.00 N ATOM 100 NH2 ARG A 10 -19.481 18.338 -1.148 1.00 0.00 N ATOM 0 H ARG A 10 -13.807 16.215 0.524 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.736 13.403 0.620 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.185 13.994 -1.299 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.607 14.891 0.147 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.753 16.915 -0.693 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.720 16.117 -1.862 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.450 16.911 -3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -16.949 15.256 -2.926 1.00 0.00 H new ATOM 0 HE ARG A 10 -18.750 16.008 -1.621 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -16.525 18.640 -2.385 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -17.635 19.895 -1.825 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -20.170 17.626 -0.905 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -19.689 19.324 -0.991 1.00 0.00 H new ATOM 114 N PHE A 11 -13.318 12.709 -1.303 1.00 0.00 N ATOM 115 CA PHE A 11 -12.348 12.274 -2.302 1.00 0.00 C ATOM 116 C PHE A 11 -12.725 12.790 -3.687 1.00 0.00 C ATOM 117 O PHE A 11 -13.606 12.240 -4.348 1.00 0.00 O ATOM 118 CB PHE A 11 -12.256 10.747 -2.323 1.00 0.00 C ATOM 119 CG PHE A 11 -11.655 10.165 -1.075 1.00 0.00 C ATOM 120 CD1 PHE A 11 -10.280 10.142 -0.899 1.00 0.00 C ATOM 121 CD2 PHE A 11 -12.463 9.644 -0.078 1.00 0.00 C ATOM 122 CE1 PHE A 11 -9.725 9.607 0.248 1.00 0.00 C ATOM 123 CE2 PHE A 11 -11.913 9.108 1.071 1.00 0.00 C ATOM 124 CZ PHE A 11 -10.542 9.090 1.235 1.00 0.00 C ATOM 0 H PHE A 11 -13.832 11.950 -0.856 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.376 12.687 -2.032 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.254 10.333 -2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -11.660 10.439 -3.182 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.636 10.546 -1.666 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.536 9.657 -0.200 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.652 9.593 0.373 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.555 8.704 1.840 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.110 8.673 2.132 1.00 0.00 H new ATOM 134 N ILE A 12 -12.053 13.852 -4.119 1.00 0.00 N ATOM 135 CA ILE A 12 -12.316 14.443 -5.426 1.00 0.00 C ATOM 136 C ILE A 12 -11.827 13.535 -6.549 1.00 0.00 C ATOM 137 O ILE A 12 -12.404 13.510 -7.635 1.00 0.00 O ATOM 138 CB ILE A 12 -11.644 15.821 -5.566 1.00 0.00 C ATOM 139 CG1 ILE A 12 -10.127 15.692 -5.408 1.00 0.00 C ATOM 140 CG2 ILE A 12 -12.208 16.793 -4.540 1.00 0.00 C ATOM 141 CD1 ILE A 12 -9.372 16.951 -5.769 1.00 0.00 C ATOM 0 H ILE A 12 -11.323 14.321 -3.583 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.396 14.565 -5.505 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.855 16.211 -6.562 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.899 15.425 -4.376 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.773 14.874 -6.035 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.723 17.763 -4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -13.281 16.904 -4.696 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -12.025 16.409 -3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.303 16.786 -5.633 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.570 17.208 -6.810 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.698 17.768 -5.125 1.00 0.00 H new ATOM 153 N GLU A 13 -10.761 12.788 -6.277 1.00 0.00 N ATOM 154 CA GLU A 13 -10.195 11.877 -7.265 1.00 0.00 C ATOM 155 C GLU A 13 -10.108 10.459 -6.710 1.00 0.00 C ATOM 156 O GLU A 13 -9.399 10.204 -5.736 1.00 0.00 O ATOM 157 CB GLU A 13 -8.807 12.355 -7.696 1.00 0.00 C ATOM 158 CG GLU A 13 -8.839 13.445 -8.754 1.00 0.00 C ATOM 159 CD GLU A 13 -7.544 13.535 -9.538 1.00 0.00 C ATOM 160 OE1 GLU A 13 -6.525 13.960 -8.955 1.00 0.00 O ATOM 161 OE2 GLU A 13 -7.551 13.179 -10.735 1.00 0.00 O ATOM 0 H GLU A 13 -10.273 12.796 -5.382 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.854 11.868 -8.133 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.272 12.725 -6.821 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.242 11.505 -8.079 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.663 13.255 -9.442 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.038 14.404 -8.276 1.00 0.00 H new ATOM 168 N ASP A 14 -10.834 9.539 -7.337 1.00 0.00 N ATOM 169 CA ASP A 14 -10.839 8.146 -6.907 1.00 0.00 C ATOM 170 C ASP A 14 -9.621 7.405 -7.450 1.00 0.00 C ATOM 171 O ASP A 14 -9.253 7.564 -8.614 1.00 0.00 O ATOM 172 CB ASP A 14 -12.122 7.452 -7.369 1.00 0.00 C ATOM 173 CG ASP A 14 -13.371 8.184 -6.918 1.00 0.00 C ATOM 174 OD1 ASP A 14 -13.500 9.385 -7.234 1.00 0.00 O ATOM 175 OD2 ASP A 14 -14.218 7.556 -6.248 1.00 0.00 O ATOM 0 H ASP A 14 -11.426 9.733 -8.144 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.797 8.127 -5.818 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.120 7.378 -8.457 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.141 6.434 -6.981 1.00 0.00 H new ATOM 180 N VAL A 15 -8.999 6.595 -6.599 1.00 0.00 N ATOM 181 CA VAL A 15 -7.823 5.830 -6.993 1.00 0.00 C ATOM 182 C VAL A 15 -8.118 4.954 -8.206 1.00 0.00 C ATOM 183 O VAL A 15 -9.276 4.741 -8.564 1.00 0.00 O ATOM 184 CB VAL A 15 -7.320 4.940 -5.841 1.00 0.00 C ATOM 185 CG1 VAL A 15 -7.011 5.781 -4.612 1.00 0.00 C ATOM 186 CG2 VAL A 15 -8.343 3.862 -5.516 1.00 0.00 C ATOM 0 H VAL A 15 -9.291 6.452 -5.632 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.048 6.552 -7.250 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.399 4.451 -6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.657 5.135 -3.809 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.240 6.512 -4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.914 6.299 -4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.972 3.242 -4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.282 4.329 -5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.510 3.241 -6.396 1.00 0.00 H new ATOM 196 N LYS A 16 -7.062 4.448 -8.834 1.00 0.00 N ATOM 197 CA LYS A 16 -7.206 3.593 -10.006 1.00 0.00 C ATOM 198 C LYS A 16 -6.898 2.139 -9.660 1.00 0.00 C ATOM 199 O LYS A 16 -6.105 1.860 -8.762 1.00 0.00 O ATOM 200 CB LYS A 16 -6.280 4.069 -11.127 1.00 0.00 C ATOM 201 CG LYS A 16 -6.299 5.574 -11.334 1.00 0.00 C ATOM 202 CD LYS A 16 -7.672 6.060 -11.768 1.00 0.00 C ATOM 203 CE LYS A 16 -7.624 7.499 -12.257 1.00 0.00 C ATOM 204 NZ LYS A 16 -7.293 7.582 -13.706 1.00 0.00 N ATOM 0 H LYS A 16 -6.097 4.615 -8.551 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.240 3.656 -10.346 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.261 3.754 -10.903 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.568 3.579 -12.057 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.011 6.073 -10.409 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.560 5.848 -12.087 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.053 5.417 -12.562 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.368 5.981 -10.933 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.587 7.976 -12.077 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.882 8.053 -11.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.270 8.579 -14.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.362 7.150 -13.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.015 7.075 -14.257 1.00 0.00 H new ATOM 218 N ASN A 17 -7.528 1.218 -10.382 1.00 0.00 N ATOM 219 CA ASN A 17 -7.319 -0.207 -10.151 1.00 0.00 C ATOM 220 C ASN A 17 -5.841 -0.512 -9.929 1.00 0.00 C ATOM 221 O ASN A 17 -4.969 0.197 -10.432 1.00 0.00 O ATOM 222 CB ASN A 17 -7.846 -1.019 -11.336 1.00 0.00 C ATOM 223 CG ASN A 17 -6.874 -1.041 -12.500 1.00 0.00 C ATOM 224 OD1 ASN A 17 -6.486 0.139 -12.970 1.00 0.00 O flip ATOM 225 ND2 ASN A 17 -6.476 -2.107 -12.971 1.00 0.00 N flip ATOM 0 H ASN A 17 -8.187 1.432 -11.131 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.868 -0.488 -9.252 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.045 -2.041 -11.013 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.796 -0.599 -11.667 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.800 -2.991 -12.578 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.822 -2.106 -13.754 1.00 0.00 H new ATOM 232 N GLN A 18 -5.567 -1.571 -9.174 1.00 0.00 N ATOM 233 CA GLN A 18 -4.194 -1.969 -8.885 1.00 0.00 C ATOM 234 C GLN A 18 -3.876 -3.321 -9.515 1.00 0.00 C ATOM 235 O GLN A 18 -4.438 -4.344 -9.126 1.00 0.00 O ATOM 236 CB GLN A 18 -3.966 -2.030 -7.374 1.00 0.00 C ATOM 237 CG GLN A 18 -2.535 -1.721 -6.962 1.00 0.00 C ATOM 238 CD GLN A 18 -2.101 -0.325 -7.364 1.00 0.00 C ATOM 239 OE1 GLN A 18 -0.985 -0.125 -7.845 1.00 0.00 O ATOM 240 NE2 GLN A 18 -2.982 0.649 -7.169 1.00 0.00 N ATOM 0 H GLN A 18 -6.277 -2.169 -8.751 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.527 -1.222 -9.316 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.637 -1.324 -6.885 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.232 -3.024 -7.014 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.440 -1.830 -5.882 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -1.865 -2.451 -7.416 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.896 0.438 -6.768 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.745 1.609 -7.421 1.00 0.00 H new ATOM 249 N GLU A 19 -2.971 -3.316 -10.489 1.00 0.00 N ATOM 250 CA GLU A 19 -2.579 -4.543 -11.172 1.00 0.00 C ATOM 251 C GLU A 19 -1.071 -4.757 -11.085 1.00 0.00 C ATOM 252 O GLU A 19 -0.300 -4.116 -11.798 1.00 0.00 O ATOM 253 CB GLU A 19 -3.015 -4.498 -12.639 1.00 0.00 C ATOM 254 CG GLU A 19 -2.834 -5.818 -13.368 1.00 0.00 C ATOM 255 CD GLU A 19 -3.673 -5.907 -14.629 1.00 0.00 C ATOM 256 OE1 GLU A 19 -4.877 -5.585 -14.563 1.00 0.00 O ATOM 257 OE2 GLU A 19 -3.125 -6.299 -15.680 1.00 0.00 O ATOM 0 H GLU A 19 -2.496 -2.477 -10.822 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.076 -5.378 -10.678 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.064 -4.206 -12.689 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.444 -3.726 -13.155 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.783 -5.945 -13.626 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.100 -6.637 -12.700 1.00 0.00 H new ATOM 264 N ALA A 20 -0.658 -5.663 -10.204 1.00 0.00 N ATOM 265 CA ALA A 20 0.757 -5.963 -10.023 1.00 0.00 C ATOM 266 C ALA A 20 0.990 -7.466 -9.913 1.00 0.00 C ATOM 267 O ALA A 20 0.129 -8.203 -9.432 1.00 0.00 O ATOM 268 CB ALA A 20 1.294 -5.252 -8.789 1.00 0.00 C ATOM 0 H ALA A 20 -1.283 -6.202 -9.605 1.00 0.00 H new ATOM 0 HA ALA A 20 1.294 -5.602 -10.900 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.352 -5.485 -8.666 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.171 -4.175 -8.907 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.744 -5.586 -7.909 1.00 0.00 H new ATOM 274 N ARG A 21 2.157 -7.914 -10.363 1.00 0.00 N ATOM 275 CA ARG A 21 2.502 -9.329 -10.317 1.00 0.00 C ATOM 276 C ARG A 21 2.902 -9.746 -8.905 1.00 0.00 C ATOM 277 O ARG A 21 3.357 -8.923 -8.111 1.00 0.00 O ATOM 278 CB ARG A 21 3.641 -9.631 -11.292 1.00 0.00 C ATOM 279 CG ARG A 21 3.184 -9.793 -12.732 1.00 0.00 C ATOM 280 CD ARG A 21 4.117 -10.704 -13.514 1.00 0.00 C ATOM 281 NE ARG A 21 4.098 -10.410 -14.944 1.00 0.00 N ATOM 282 CZ ARG A 21 3.072 -10.691 -15.739 1.00 0.00 C ATOM 283 NH1 ARG A 21 1.986 -11.270 -15.245 1.00 0.00 N ATOM 284 NH2 ARG A 21 3.129 -10.392 -17.030 1.00 0.00 N ATOM 0 H ARG A 21 2.880 -7.317 -10.764 1.00 0.00 H new ATOM 0 HA ARG A 21 1.622 -9.901 -10.610 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.374 -8.826 -11.241 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.146 -10.543 -10.975 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.174 -10.203 -12.750 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.140 -8.816 -13.213 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.133 -10.594 -13.135 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.828 -11.743 -13.354 1.00 0.00 H new ATOM 0 HE ARG A 21 4.918 -9.964 -15.355 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.938 -11.500 -14.253 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.199 -11.485 -15.857 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.962 -9.945 -17.414 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.340 -10.609 -17.639 1.00 0.00 H new ATOM 298 N GLU A 22 2.729 -11.028 -8.600 1.00 0.00 N ATOM 299 CA GLU A 22 3.072 -11.552 -7.283 1.00 0.00 C ATOM 300 C GLU A 22 4.509 -11.197 -6.913 1.00 0.00 C ATOM 301 O GLU A 22 5.405 -11.231 -7.756 1.00 0.00 O ATOM 302 CB GLU A 22 2.885 -13.070 -7.249 1.00 0.00 C ATOM 303 CG GLU A 22 1.495 -13.503 -6.813 1.00 0.00 C ATOM 304 CD GLU A 22 1.410 -14.989 -6.524 1.00 0.00 C ATOM 305 OE1 GLU A 22 1.177 -15.767 -7.472 1.00 0.00 O ATOM 306 OE2 GLU A 22 1.578 -15.374 -5.347 1.00 0.00 O ATOM 0 H GLU A 22 2.354 -11.722 -9.246 1.00 0.00 H new ATOM 0 HA GLU A 22 2.404 -11.094 -6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.088 -13.475 -8.240 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.621 -13.503 -6.571 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.208 -12.946 -5.921 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.778 -13.247 -7.593 1.00 0.00 H new ATOM 313 N GLY A 23 4.721 -10.857 -5.645 1.00 0.00 N ATOM 314 CA GLY A 23 6.051 -10.500 -5.186 1.00 0.00 C ATOM 315 C GLY A 23 6.404 -9.059 -5.496 1.00 0.00 C ATOM 316 O GLY A 23 7.574 -8.725 -5.679 1.00 0.00 O ATOM 0 H GLY A 23 3.996 -10.822 -4.928 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.117 -10.664 -4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.783 -11.159 -5.654 1.00 0.00 H new ATOM 320 N ALA A 24 5.390 -8.202 -5.556 1.00 0.00 N ATOM 321 CA ALA A 24 5.599 -6.789 -5.846 1.00 0.00 C ATOM 322 C ALA A 24 4.981 -5.910 -4.764 1.00 0.00 C ATOM 323 O ALA A 24 4.467 -6.408 -3.762 1.00 0.00 O ATOM 324 CB ALA A 24 5.021 -6.439 -7.209 1.00 0.00 C ATOM 0 H ALA A 24 4.415 -8.462 -5.407 1.00 0.00 H new ATOM 0 HA ALA A 24 6.672 -6.601 -5.861 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.184 -5.381 -7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.513 -7.036 -7.977 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.951 -6.649 -7.215 1.00 0.00 H new ATOM 330 N THR A 25 5.033 -4.598 -4.973 1.00 0.00 N ATOM 331 CA THR A 25 4.480 -3.648 -4.016 1.00 0.00 C ATOM 332 C THR A 25 3.451 -2.738 -4.676 1.00 0.00 C ATOM 333 O THR A 25 3.801 -1.853 -5.456 1.00 0.00 O ATOM 334 CB THR A 25 5.584 -2.782 -3.382 1.00 0.00 C ATOM 335 OG1 THR A 25 6.599 -3.618 -2.815 1.00 0.00 O ATOM 336 CG2 THR A 25 5.009 -1.874 -2.306 1.00 0.00 C ATOM 0 H THR A 25 5.453 -4.169 -5.798 1.00 0.00 H new ATOM 0 HA THR A 25 3.995 -4.233 -3.235 1.00 0.00 H new ATOM 0 HB THR A 25 6.021 -2.161 -4.164 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.298 -3.059 -2.416 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.808 -1.272 -1.873 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.258 -1.218 -2.747 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.548 -2.480 -1.526 1.00 0.00 H new ATOM 344 N ALA A 26 2.180 -2.961 -4.359 1.00 0.00 N ATOM 345 CA ALA A 26 1.100 -2.159 -4.919 1.00 0.00 C ATOM 346 C ALA A 26 1.232 -0.696 -4.508 1.00 0.00 C ATOM 347 O ALA A 26 2.030 -0.356 -3.634 1.00 0.00 O ATOM 348 CB ALA A 26 -0.249 -2.712 -4.485 1.00 0.00 C ATOM 0 H ALA A 26 1.873 -3.691 -3.717 1.00 0.00 H new ATOM 0 HA ALA A 26 1.168 -2.211 -6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.046 -2.103 -4.911 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.351 -3.739 -4.835 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.318 -2.691 -3.397 1.00 0.00 H new ATOM 354 N VAL A 27 0.445 0.166 -5.143 1.00 0.00 N ATOM 355 CA VAL A 27 0.473 1.592 -4.842 1.00 0.00 C ATOM 356 C VAL A 27 -0.890 2.232 -5.080 1.00 0.00 C ATOM 357 O VAL A 27 -1.355 2.322 -6.217 1.00 0.00 O ATOM 358 CB VAL A 27 1.528 2.324 -5.693 1.00 0.00 C ATOM 359 CG1 VAL A 27 1.665 3.772 -5.246 1.00 0.00 C ATOM 360 CG2 VAL A 27 2.866 1.606 -5.617 1.00 0.00 C ATOM 0 H VAL A 27 -0.220 -0.098 -5.870 1.00 0.00 H new ATOM 0 HA VAL A 27 0.736 1.688 -3.789 1.00 0.00 H new ATOM 0 HB VAL A 27 1.197 2.319 -6.732 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.415 4.273 -5.859 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.707 4.280 -5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.972 3.803 -4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.599 2.137 -6.224 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.205 1.577 -4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.754 0.588 -5.991 1.00 0.00 H new ATOM 370 N LEU A 28 -1.526 2.675 -4.002 1.00 0.00 N ATOM 371 CA LEU A 28 -2.837 3.308 -4.093 1.00 0.00 C ATOM 372 C LEU A 28 -2.754 4.787 -3.728 1.00 0.00 C ATOM 373 O LEU A 28 -2.569 5.139 -2.564 1.00 0.00 O ATOM 374 CB LEU A 28 -3.832 2.599 -3.173 1.00 0.00 C ATOM 375 CG LEU A 28 -4.306 1.220 -3.633 1.00 0.00 C ATOM 376 CD1 LEU A 28 -4.632 0.341 -2.435 1.00 0.00 C ATOM 377 CD2 LEU A 28 -5.517 1.350 -4.546 1.00 0.00 C ATOM 0 H LEU A 28 -1.155 2.608 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.182 3.226 -5.124 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.375 2.495 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.705 3.240 -3.053 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.500 0.749 -4.196 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.968 -0.636 -2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.741 0.221 -1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.421 0.808 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.841 0.359 -4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.327 1.841 -4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.251 1.943 -5.421 1.00 0.00 H new ATOM 389 N GLN A 29 -2.895 5.647 -4.732 1.00 0.00 N ATOM 390 CA GLN A 29 -2.838 7.088 -4.516 1.00 0.00 C ATOM 391 C GLN A 29 -4.207 7.726 -4.731 1.00 0.00 C ATOM 392 O GLN A 29 -4.935 7.358 -5.653 1.00 0.00 O ATOM 393 CB GLN A 29 -1.812 7.726 -5.454 1.00 0.00 C ATOM 394 CG GLN A 29 -0.380 7.305 -5.167 1.00 0.00 C ATOM 395 CD GLN A 29 0.615 7.924 -6.129 1.00 0.00 C ATOM 396 OE1 GLN A 29 0.292 8.867 -6.852 1.00 0.00 O ATOM 397 NE2 GLN A 29 1.833 7.395 -6.142 1.00 0.00 N ATOM 0 H GLN A 29 -3.049 5.371 -5.702 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.534 7.263 -3.484 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.060 7.463 -6.482 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.886 8.811 -5.375 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.119 7.590 -4.148 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.307 6.219 -5.223 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.056 6.614 -5.525 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.545 7.770 -6.769 1.00 0.00 H new ATOM 406 N CYS A 30 -4.550 8.681 -3.874 1.00 0.00 N ATOM 407 CA CYS A 30 -5.832 9.370 -3.970 1.00 0.00 C ATOM 408 C CYS A 30 -5.682 10.848 -3.627 1.00 0.00 C ATOM 409 O CYS A 30 -4.644 11.276 -3.125 1.00 0.00 O ATOM 410 CB CYS A 30 -6.854 8.719 -3.037 1.00 0.00 C ATOM 411 SG CYS A 30 -6.705 9.226 -1.308 1.00 0.00 S ATOM 0 H CYS A 30 -3.959 8.996 -3.105 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.185 9.289 -4.998 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.857 8.960 -3.390 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.747 7.636 -3.097 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.859 9.640 -0.876 1.00 0.00 H new ATOM 417 N GLU A 31 -6.726 11.623 -3.905 1.00 0.00 N ATOM 418 CA GLU A 31 -6.709 13.055 -3.628 1.00 0.00 C ATOM 419 C GLU A 31 -7.962 13.477 -2.866 1.00 0.00 C ATOM 420 O GLU A 31 -9.011 12.840 -2.971 1.00 0.00 O ATOM 421 CB GLU A 31 -6.601 13.848 -4.932 1.00 0.00 C ATOM 422 CG GLU A 31 -6.058 15.254 -4.746 1.00 0.00 C ATOM 423 CD GLU A 31 -5.747 15.939 -6.063 1.00 0.00 C ATOM 424 OE1 GLU A 31 -6.321 15.531 -7.094 1.00 0.00 O ATOM 425 OE2 GLU A 31 -4.930 16.884 -6.062 1.00 0.00 O ATOM 0 H GLU A 31 -7.593 11.284 -4.321 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.838 13.268 -3.008 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.956 13.307 -5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.586 13.906 -5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.785 15.850 -4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.153 15.213 -4.140 1.00 0.00 H new ATOM 432 N LEU A 32 -7.845 14.555 -2.098 1.00 0.00 N ATOM 433 CA LEU A 32 -8.967 15.063 -1.317 1.00 0.00 C ATOM 434 C LEU A 32 -9.251 16.522 -1.657 1.00 0.00 C ATOM 435 O LEU A 32 -8.358 17.257 -2.076 1.00 0.00 O ATOM 436 CB LEU A 32 -8.677 14.923 0.179 1.00 0.00 C ATOM 437 CG LEU A 32 -8.593 13.494 0.716 1.00 0.00 C ATOM 438 CD1 LEU A 32 -7.669 13.430 1.922 1.00 0.00 C ATOM 439 CD2 LEU A 32 -9.978 12.976 1.075 1.00 0.00 C ATOM 0 H LEU A 32 -6.985 15.094 -2.000 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.849 14.473 -1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.735 15.427 0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.455 15.452 0.730 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.180 12.857 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.622 12.405 2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.670 13.758 1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.051 14.081 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.898 11.958 1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.419 13.616 1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.611 12.983 0.187 1.00 0.00 H new ATOM 451 N ASN A 33 -10.501 16.935 -1.472 1.00 0.00 N ATOM 452 CA ASN A 33 -10.902 18.308 -1.758 1.00 0.00 C ATOM 453 C ASN A 33 -10.267 19.278 -0.767 1.00 0.00 C ATOM 454 O ASN A 33 -10.155 20.474 -1.038 1.00 0.00 O ATOM 455 CB ASN A 33 -12.426 18.436 -1.709 1.00 0.00 C ATOM 456 CG ASN A 33 -12.876 19.820 -1.282 1.00 0.00 C ATOM 457 OD1 ASN A 33 -12.496 20.823 -1.886 1.00 0.00 O ATOM 458 ND2 ASN A 33 -13.691 19.880 -0.234 1.00 0.00 N ATOM 0 H ASN A 33 -11.253 16.339 -1.126 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.554 18.561 -2.760 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.839 18.210 -2.692 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.828 17.696 -1.017 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.027 20.783 0.100 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.981 19.023 0.237 1.00 0.00 H new ATOM 465 N SER A 34 -9.851 18.755 0.382 1.00 0.00 N ATOM 466 CA SER A 34 -9.230 19.575 1.415 1.00 0.00 C ATOM 467 C SER A 34 -8.352 18.725 2.329 1.00 0.00 C ATOM 468 O SER A 34 -8.661 17.565 2.601 1.00 0.00 O ATOM 469 CB SER A 34 -10.300 20.292 2.240 1.00 0.00 C ATOM 470 OG SER A 34 -9.784 21.472 2.831 1.00 0.00 O ATOM 0 H SER A 34 -9.933 17.767 0.621 1.00 0.00 H new ATOM 0 HA SER A 34 -8.602 20.318 0.924 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.148 20.542 1.602 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.672 19.625 3.018 1.00 0.00 H new ATOM 0 HG SER A 34 -10.488 21.912 3.351 1.00 0.00 H new ATOM 476 N ALA A 35 -7.256 19.311 2.799 1.00 0.00 N ATOM 477 CA ALA A 35 -6.334 18.609 3.683 1.00 0.00 C ATOM 478 C ALA A 35 -7.088 17.829 4.755 1.00 0.00 C ATOM 479 O ALA A 35 -7.799 18.410 5.574 1.00 0.00 O ATOM 480 CB ALA A 35 -5.367 19.593 4.326 1.00 0.00 C ATOM 0 H ALA A 35 -6.985 20.270 2.582 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.766 17.897 3.084 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.684 19.055 4.984 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.797 20.103 3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.927 20.327 4.906 1.00 0.00 H new ATOM 486 N ALA A 36 -6.927 16.510 4.743 1.00 0.00 N ATOM 487 CA ALA A 36 -7.592 15.650 5.715 1.00 0.00 C ATOM 488 C ALA A 36 -6.972 14.257 5.730 1.00 0.00 C ATOM 489 O ALA A 36 -6.439 13.778 4.729 1.00 0.00 O ATOM 490 CB ALA A 36 -9.080 15.565 5.413 1.00 0.00 C ATOM 0 H ALA A 36 -6.342 16.013 4.071 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.458 16.089 6.704 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.564 14.920 6.146 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.519 16.562 5.461 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.226 15.152 4.415 1.00 0.00 H new ATOM 496 N PRO A 37 -7.042 13.590 6.892 1.00 0.00 N ATOM 497 CA PRO A 37 -6.493 12.242 7.065 1.00 0.00 C ATOM 498 C PRO A 37 -7.288 11.189 6.299 1.00 0.00 C ATOM 499 O PRO A 37 -8.317 11.492 5.695 1.00 0.00 O ATOM 500 CB PRO A 37 -6.604 12.004 8.573 1.00 0.00 C ATOM 501 CG PRO A 37 -7.719 12.888 9.014 1.00 0.00 C ATOM 502 CD PRO A 37 -7.663 14.100 8.125 1.00 0.00 C ATOM 0 HA PRO A 37 -5.476 12.164 6.681 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.817 10.958 8.794 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.674 12.255 9.083 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.679 12.380 8.922 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.605 13.167 10.062 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.657 14.506 7.936 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.072 14.899 8.572 1.00 0.00 H new ATOM 510 N VAL A 38 -6.806 9.951 6.331 1.00 0.00 N ATOM 511 CA VAL A 38 -7.472 8.853 5.641 1.00 0.00 C ATOM 512 C VAL A 38 -7.209 7.524 6.340 1.00 0.00 C ATOM 513 O VAL A 38 -6.390 7.446 7.255 1.00 0.00 O ATOM 514 CB VAL A 38 -7.013 8.749 4.175 1.00 0.00 C ATOM 515 CG1 VAL A 38 -7.345 10.027 3.419 1.00 0.00 C ATOM 516 CG2 VAL A 38 -5.523 8.451 4.104 1.00 0.00 C ATOM 0 H VAL A 38 -5.956 9.683 6.828 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.540 9.067 5.664 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.549 7.926 3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.013 9.935 2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.422 10.193 3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.838 10.870 3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.215 8.381 3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.968 9.252 4.593 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.316 7.507 4.608 1.00 0.00 H new ATOM 526 N GLU A 39 -7.909 6.482 5.903 1.00 0.00 N ATOM 527 CA GLU A 39 -7.750 5.156 6.488 1.00 0.00 C ATOM 528 C GLU A 39 -7.940 4.070 5.433 1.00 0.00 C ATOM 529 O GLU A 39 -9.060 3.801 4.999 1.00 0.00 O ATOM 530 CB GLU A 39 -8.749 4.955 7.629 1.00 0.00 C ATOM 531 CG GLU A 39 -8.472 3.720 8.469 1.00 0.00 C ATOM 532 CD GLU A 39 -8.926 3.879 9.907 1.00 0.00 C ATOM 533 OE1 GLU A 39 -10.123 4.162 10.124 1.00 0.00 O ATOM 534 OE2 GLU A 39 -8.084 3.720 10.816 1.00 0.00 O ATOM 0 H GLU A 39 -8.591 6.530 5.146 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.737 5.080 6.884 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.733 5.834 8.274 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.754 4.883 7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.977 2.862 8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.404 3.505 8.451 1.00 0.00 H new ATOM 541 N TRP A 40 -6.839 3.451 5.025 1.00 0.00 N ATOM 542 CA TRP A 40 -6.883 2.394 4.021 1.00 0.00 C ATOM 543 C TRP A 40 -7.453 1.108 4.609 1.00 0.00 C ATOM 544 O TRP A 40 -6.912 0.562 5.571 1.00 0.00 O ATOM 545 CB TRP A 40 -5.484 2.137 3.458 1.00 0.00 C ATOM 546 CG TRP A 40 -4.877 3.341 2.804 1.00 0.00 C ATOM 547 CD1 TRP A 40 -4.044 4.255 3.382 1.00 0.00 C ATOM 548 CD2 TRP A 40 -5.057 3.761 1.447 1.00 0.00 C ATOM 549 NE1 TRP A 40 -3.695 5.219 2.466 1.00 0.00 N ATOM 550 CE2 TRP A 40 -4.303 4.937 1.271 1.00 0.00 C ATOM 551 CE3 TRP A 40 -5.781 3.256 0.363 1.00 0.00 C ATOM 552 CZ2 TRP A 40 -4.255 5.616 0.056 1.00 0.00 C ATOM 553 CZ3 TRP A 40 -5.732 3.931 -0.842 1.00 0.00 C ATOM 554 CH2 TRP A 40 -4.973 5.100 -0.988 1.00 0.00 C ATOM 0 H TRP A 40 -5.904 3.662 5.374 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.536 2.722 3.213 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.831 1.803 4.264 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.536 1.325 2.732 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.708 4.225 4.408 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.083 6.015 2.647 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.368 2.355 0.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.672 6.518 -0.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.288 3.551 -1.686 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.955 5.603 -1.943 1.00 0.00 H new ATOM 565 N ARG A 41 -8.546 0.628 4.025 1.00 0.00 N ATOM 566 CA ARG A 41 -9.189 -0.594 4.493 1.00 0.00 C ATOM 567 C ARG A 41 -9.056 -1.708 3.459 1.00 0.00 C ATOM 568 O ARG A 41 -8.447 -1.522 2.404 1.00 0.00 O ATOM 569 CB ARG A 41 -10.666 -0.336 4.793 1.00 0.00 C ATOM 570 CG ARG A 41 -10.901 0.836 5.732 1.00 0.00 C ATOM 571 CD ARG A 41 -12.380 1.016 6.039 1.00 0.00 C ATOM 572 NE ARG A 41 -12.595 1.744 7.287 1.00 0.00 N ATOM 573 CZ ARG A 41 -13.784 2.177 7.689 1.00 0.00 C ATOM 574 NH1 ARG A 41 -14.860 1.955 6.946 1.00 0.00 N ATOM 575 NH2 ARG A 41 -13.900 2.832 8.837 1.00 0.00 N ATOM 0 H ARG A 41 -9.005 1.067 3.227 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.689 -0.910 5.409 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.191 -0.151 3.856 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.101 -1.234 5.231 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.352 0.676 6.660 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.508 1.748 5.283 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.858 1.553 5.219 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.859 0.039 6.102 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.788 1.930 7.882 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.775 1.451 6.064 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.772 2.289 7.257 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.075 3.003 9.412 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -14.814 3.164 9.145 1.00 0.00 H new ATOM 589 N LYS A 42 -9.628 -2.867 3.768 1.00 0.00 N ATOM 590 CA LYS A 42 -9.575 -4.011 2.866 1.00 0.00 C ATOM 591 C LYS A 42 -10.642 -5.040 3.230 1.00 0.00 C ATOM 592 O LYS A 42 -10.752 -5.453 4.383 1.00 0.00 O ATOM 593 CB LYS A 42 -8.190 -4.660 2.913 1.00 0.00 C ATOM 594 CG LYS A 42 -8.127 -6.011 2.223 1.00 0.00 C ATOM 595 CD LYS A 42 -6.700 -6.390 1.866 1.00 0.00 C ATOM 596 CE LYS A 42 -6.656 -7.349 0.686 1.00 0.00 C ATOM 597 NZ LYS A 42 -6.729 -6.631 -0.616 1.00 0.00 N ATOM 0 H LYS A 42 -10.134 -3.039 4.637 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.768 -3.654 1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.468 -3.990 2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.889 -4.779 3.954 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.554 -6.773 2.874 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.735 -5.987 1.319 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.133 -5.491 1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.218 -6.850 2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.737 -7.933 0.727 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.485 -8.053 0.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.228 -7.180 -1.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.725 -6.515 -0.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.285 -5.695 -0.522 1.00 0.00 H new ATOM 611 N GLY A 43 -11.425 -5.450 2.237 1.00 0.00 N ATOM 612 CA GLY A 43 -12.471 -6.428 2.472 1.00 0.00 C ATOM 613 C GLY A 43 -13.072 -6.311 3.859 1.00 0.00 C ATOM 614 O GLY A 43 -13.096 -7.281 4.617 1.00 0.00 O ATOM 0 H GLY A 43 -11.354 -5.122 1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.257 -6.302 1.727 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.064 -7.430 2.339 1.00 0.00 H new ATOM 618 N SER A 44 -13.558 -5.120 4.193 1.00 0.00 N ATOM 619 CA SER A 44 -14.157 -4.878 5.500 1.00 0.00 C ATOM 620 C SER A 44 -13.121 -5.031 6.609 1.00 0.00 C ATOM 621 O SER A 44 -13.329 -5.773 7.569 1.00 0.00 O ATOM 622 CB SER A 44 -15.322 -5.841 5.738 1.00 0.00 C ATOM 623 OG SER A 44 -16.542 -5.291 5.272 1.00 0.00 O ATOM 0 H SER A 44 -13.549 -4.307 3.576 1.00 0.00 H new ATOM 0 HA SER A 44 -14.532 -3.855 5.516 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.127 -6.785 5.229 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.403 -6.063 6.802 1.00 0.00 H new ATOM 0 HG SER A 44 -17.270 -5.926 5.434 1.00 0.00 H new ATOM 629 N GLU A 45 -12.004 -4.324 6.469 1.00 0.00 N ATOM 630 CA GLU A 45 -10.935 -4.382 7.459 1.00 0.00 C ATOM 631 C GLU A 45 -10.096 -3.108 7.430 1.00 0.00 C ATOM 632 O GLU A 45 -9.777 -2.584 6.362 1.00 0.00 O ATOM 633 CB GLU A 45 -10.042 -5.599 7.206 1.00 0.00 C ATOM 634 CG GLU A 45 -8.829 -5.295 6.342 1.00 0.00 C ATOM 635 CD GLU A 45 -8.242 -6.539 5.703 1.00 0.00 C ATOM 636 OE1 GLU A 45 -8.983 -7.244 4.987 1.00 0.00 O ATOM 637 OE2 GLU A 45 -7.042 -6.806 5.920 1.00 0.00 O ATOM 0 H GLU A 45 -11.816 -3.705 5.680 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.392 -4.473 8.444 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.705 -5.997 8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.633 -6.379 6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.111 -4.589 5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.066 -4.809 6.951 1.00 0.00 H new ATOM 644 N THR A 46 -9.743 -2.612 8.612 1.00 0.00 N ATOM 645 CA THR A 46 -8.943 -1.398 8.723 1.00 0.00 C ATOM 646 C THR A 46 -7.453 -1.720 8.729 1.00 0.00 C ATOM 647 O THR A 46 -6.994 -2.572 9.490 1.00 0.00 O ATOM 648 CB THR A 46 -9.292 -0.611 10.000 1.00 0.00 C ATOM 649 OG1 THR A 46 -10.697 -0.337 10.039 1.00 0.00 O ATOM 650 CG2 THR A 46 -8.514 0.695 10.061 1.00 0.00 C ATOM 0 H THR A 46 -9.998 -3.032 9.506 1.00 0.00 H new ATOM 0 HA THR A 46 -9.176 -0.785 7.852 1.00 0.00 H new ATOM 0 HB THR A 46 -9.017 -1.220 10.861 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.910 0.162 10.855 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.777 1.233 10.972 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.445 0.482 10.062 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.762 1.307 9.194 1.00 0.00 H new ATOM 658 N LEU A 47 -6.701 -1.033 7.876 1.00 0.00 N ATOM 659 CA LEU A 47 -5.261 -1.245 7.783 1.00 0.00 C ATOM 660 C LEU A 47 -4.501 -0.162 8.542 1.00 0.00 C ATOM 661 O LEU A 47 -5.089 0.819 8.999 1.00 0.00 O ATOM 662 CB LEU A 47 -4.821 -1.261 6.318 1.00 0.00 C ATOM 663 CG LEU A 47 -5.759 -1.975 5.343 1.00 0.00 C ATOM 664 CD1 LEU A 47 -5.385 -1.647 3.906 1.00 0.00 C ATOM 665 CD2 LEU A 47 -5.725 -3.478 5.575 1.00 0.00 C ATOM 0 H LEU A 47 -7.065 -0.324 7.239 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.031 -2.210 8.235 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.699 -0.230 5.985 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.840 -1.733 6.259 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.775 -1.623 5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.063 -2.164 3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.461 -0.571 3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.362 -1.970 3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.398 -3.970 4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.710 -3.847 5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.042 -3.696 6.595 1.00 0.00 H new ATOM 677 N ARG A 48 -3.191 -0.345 8.671 1.00 0.00 N ATOM 678 CA ARG A 48 -2.351 0.617 9.373 1.00 0.00 C ATOM 679 C ARG A 48 -0.919 0.576 8.845 1.00 0.00 C ATOM 680 O ARG A 48 -0.424 -0.478 8.448 1.00 0.00 O ATOM 681 CB ARG A 48 -2.360 0.332 10.876 1.00 0.00 C ATOM 682 CG ARG A 48 -3.728 0.490 11.518 1.00 0.00 C ATOM 683 CD ARG A 48 -4.158 1.948 11.561 1.00 0.00 C ATOM 684 NE ARG A 48 -3.652 2.633 12.748 1.00 0.00 N ATOM 685 CZ ARG A 48 -2.477 3.252 12.793 1.00 0.00 C ATOM 686 NH1 ARG A 48 -1.692 3.271 11.725 1.00 0.00 N ATOM 687 NH2 ARG A 48 -2.085 3.853 13.910 1.00 0.00 N ATOM 0 H ARG A 48 -2.689 -1.151 8.298 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.757 1.613 9.196 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.003 -0.684 11.047 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.657 1.004 11.369 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.462 -0.091 10.960 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.705 0.086 12.530 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.799 2.458 10.667 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.246 2.006 11.545 1.00 0.00 H new ATOM 0 HE ARG A 48 -4.232 2.636 13.587 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.989 2.810 10.865 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.791 3.747 11.763 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.686 3.840 14.734 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.183 4.328 13.944 1.00 0.00 H new ATOM 701 N ASP A 49 -0.262 1.730 8.844 1.00 0.00 N ATOM 702 CA ASP A 49 1.112 1.827 8.365 1.00 0.00 C ATOM 703 C ASP A 49 2.053 1.010 9.246 1.00 0.00 C ATOM 704 O ASP A 49 1.948 1.032 10.472 1.00 0.00 O ATOM 705 CB ASP A 49 1.563 3.288 8.334 1.00 0.00 C ATOM 706 CG ASP A 49 2.031 3.779 9.690 1.00 0.00 C ATOM 707 OD1 ASP A 49 1.189 4.285 10.461 1.00 0.00 O ATOM 708 OD2 ASP A 49 3.239 3.655 9.981 1.00 0.00 O ATOM 0 H ASP A 49 -0.658 2.612 9.169 1.00 0.00 H new ATOM 0 HA ASP A 49 1.147 1.423 7.353 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.371 3.400 7.611 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.739 3.912 7.990 1.00 0.00 H new ATOM 713 N GLY A 50 2.972 0.289 8.612 1.00 0.00 N ATOM 714 CA GLY A 50 3.917 -0.526 9.353 1.00 0.00 C ATOM 715 C GLY A 50 5.054 -1.029 8.486 1.00 0.00 C ATOM 716 O GLY A 50 5.712 -0.248 7.799 1.00 0.00 O ATOM 0 H GLY A 50 3.079 0.255 7.598 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.325 0.056 10.179 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.394 -1.377 9.790 1.00 0.00 H new ATOM 720 N ASP A 51 5.288 -2.336 8.520 1.00 0.00 N ATOM 721 CA ASP A 51 6.355 -2.942 7.732 1.00 0.00 C ATOM 722 C ASP A 51 5.877 -3.249 6.316 1.00 0.00 C ATOM 723 O ASP A 51 6.475 -2.800 5.337 1.00 0.00 O ATOM 724 CB ASP A 51 6.850 -4.224 8.404 1.00 0.00 C ATOM 725 CG ASP A 51 8.315 -4.495 8.124 1.00 0.00 C ATOM 726 OD1 ASP A 51 8.616 -5.103 7.075 1.00 0.00 O ATOM 727 OD2 ASP A 51 9.160 -4.100 8.954 1.00 0.00 O ATOM 0 H ASP A 51 4.753 -2.996 9.085 1.00 0.00 H new ATOM 0 HA ASP A 51 7.178 -2.230 7.673 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.697 -4.149 9.481 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.254 -5.067 8.055 1.00 0.00 H new ATOM 732 N ARG A 52 4.796 -4.016 6.214 1.00 0.00 N ATOM 733 CA ARG A 52 4.240 -4.384 4.918 1.00 0.00 C ATOM 734 C ARG A 52 3.494 -3.209 4.293 1.00 0.00 C ATOM 735 O ARG A 52 3.642 -2.928 3.104 1.00 0.00 O ATOM 736 CB ARG A 52 3.297 -5.580 5.065 1.00 0.00 C ATOM 737 CG ARG A 52 3.995 -6.925 4.935 1.00 0.00 C ATOM 738 CD ARG A 52 3.053 -7.991 4.399 1.00 0.00 C ATOM 739 NE ARG A 52 2.337 -8.679 5.470 1.00 0.00 N ATOM 740 CZ ARG A 52 2.867 -9.652 6.202 1.00 0.00 C ATOM 741 NH1 ARG A 52 4.112 -10.051 5.979 1.00 0.00 N ATOM 742 NH2 ARG A 52 2.152 -10.229 7.159 1.00 0.00 N ATOM 0 H ARG A 52 4.288 -4.394 7.014 1.00 0.00 H new ATOM 0 HA ARG A 52 5.066 -4.659 4.261 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.806 -5.527 6.037 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.515 -5.511 4.308 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.853 -6.828 4.270 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.379 -7.233 5.908 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.335 -7.531 3.720 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.621 -8.718 3.818 1.00 0.00 H new ATOM 0 HE ARG A 52 1.377 -8.397 5.667 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.665 -9.610 5.244 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.517 -10.799 6.543 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.194 -9.925 7.333 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.560 -10.976 7.720 1.00 0.00 H new ATOM 756 N TYR A 53 2.691 -2.527 5.102 1.00 0.00 N ATOM 757 CA TYR A 53 1.920 -1.384 4.629 1.00 0.00 C ATOM 758 C TYR A 53 2.688 -0.083 4.840 1.00 0.00 C ATOM 759 O TYR A 53 3.339 0.107 5.867 1.00 0.00 O ATOM 760 CB TYR A 53 0.573 -1.317 5.350 1.00 0.00 C ATOM 761 CG TYR A 53 -0.316 -2.512 5.085 1.00 0.00 C ATOM 762 CD1 TYR A 53 -0.485 -3.004 3.797 1.00 0.00 C ATOM 763 CD2 TYR A 53 -0.987 -3.147 6.123 1.00 0.00 C ATOM 764 CE1 TYR A 53 -1.297 -4.095 3.550 1.00 0.00 C ATOM 765 CE2 TYR A 53 -1.800 -4.238 5.885 1.00 0.00 C ATOM 766 CZ TYR A 53 -1.951 -4.709 4.598 1.00 0.00 C ATOM 767 OH TYR A 53 -2.760 -5.795 4.357 1.00 0.00 O ATOM 0 H TYR A 53 2.557 -2.746 6.089 1.00 0.00 H new ATOM 0 HA TYR A 53 1.747 -1.513 3.561 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.748 -1.236 6.423 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.051 -0.411 5.043 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.027 -2.526 2.975 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.871 -2.781 7.133 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.419 -4.465 2.543 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.315 -4.720 6.703 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.145 -6.110 5.201 1.00 0.00 H new ATOM 777 N SER A 54 2.606 0.811 3.859 1.00 0.00 N ATOM 778 CA SER A 54 3.295 2.094 3.935 1.00 0.00 C ATOM 779 C SER A 54 2.373 3.231 3.505 1.00 0.00 C ATOM 780 O SER A 54 2.210 3.497 2.313 1.00 0.00 O ATOM 781 CB SER A 54 4.547 2.076 3.056 1.00 0.00 C ATOM 782 OG SER A 54 5.085 0.769 2.960 1.00 0.00 O ATOM 0 H SER A 54 2.070 0.670 3.003 1.00 0.00 H new ATOM 0 HA SER A 54 3.590 2.261 4.971 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.301 2.445 2.060 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.296 2.751 3.471 1.00 0.00 H new ATOM 0 HG SER A 54 5.883 0.785 2.392 1.00 0.00 H new ATOM 788 N LEU A 55 1.773 3.900 4.484 1.00 0.00 N ATOM 789 CA LEU A 55 0.868 5.010 4.209 1.00 0.00 C ATOM 790 C LEU A 55 1.606 6.343 4.267 1.00 0.00 C ATOM 791 O LEU A 55 2.196 6.693 5.290 1.00 0.00 O ATOM 792 CB LEU A 55 -0.289 5.010 5.210 1.00 0.00 C ATOM 793 CG LEU A 55 -0.762 3.637 5.689 1.00 0.00 C ATOM 794 CD1 LEU A 55 -1.761 3.784 6.826 1.00 0.00 C ATOM 795 CD2 LEU A 55 -1.374 2.852 4.538 1.00 0.00 C ATOM 0 H LEU A 55 1.897 3.693 5.475 1.00 0.00 H new ATOM 0 HA LEU A 55 0.470 4.881 3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.010 5.593 6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.135 5.526 4.757 1.00 0.00 H new ATOM 0 HG LEU A 55 0.102 3.085 6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.087 2.797 7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.290 4.306 7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.623 4.355 6.481 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.705 1.878 4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.227 3.400 4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.629 2.716 3.754 1.00 0.00 H new ATOM 807 N ARG A 56 1.569 7.084 3.165 1.00 0.00 N ATOM 808 CA ARG A 56 2.234 8.379 3.091 1.00 0.00 C ATOM 809 C ARG A 56 1.283 9.449 2.562 1.00 0.00 C ATOM 810 O ARG A 56 0.804 9.362 1.432 1.00 0.00 O ATOM 811 CB ARG A 56 3.470 8.291 2.195 1.00 0.00 C ATOM 812 CG ARG A 56 4.656 7.610 2.858 1.00 0.00 C ATOM 813 CD ARG A 56 5.876 7.606 1.949 1.00 0.00 C ATOM 814 NE ARG A 56 7.118 7.453 2.702 1.00 0.00 N ATOM 815 CZ ARG A 56 7.745 8.461 3.298 1.00 0.00 C ATOM 816 NH1 ARG A 56 7.247 9.689 3.231 1.00 0.00 N ATOM 817 NH2 ARG A 56 8.871 8.243 3.964 1.00 0.00 N ATOM 0 H ARG A 56 1.085 6.809 2.310 1.00 0.00 H new ATOM 0 HA ARG A 56 2.544 8.659 4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.211 7.748 1.286 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.762 9.297 1.893 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.897 8.122 3.790 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.390 6.585 3.117 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.787 6.794 1.227 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.908 8.536 1.381 1.00 0.00 H new ATOM 0 HE ARG A 56 7.526 6.521 2.774 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.381 9.861 2.721 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.731 10.461 3.690 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.257 7.300 4.019 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.351 9.018 4.421 1.00 0.00 H new ATOM 831 N GLN A 57 1.016 10.456 3.387 1.00 0.00 N ATOM 832 CA GLN A 57 0.122 11.542 3.002 1.00 0.00 C ATOM 833 C GLN A 57 0.889 12.852 2.855 1.00 0.00 C ATOM 834 O GLN A 57 1.811 13.132 3.620 1.00 0.00 O ATOM 835 CB GLN A 57 -0.993 11.703 4.036 1.00 0.00 C ATOM 836 CG GLN A 57 -1.934 12.861 3.740 1.00 0.00 C ATOM 837 CD GLN A 57 -2.678 13.337 4.972 1.00 0.00 C ATOM 838 OE1 GLN A 57 -3.997 13.180 4.965 1.00 0.00 O flip ATOM 839 NE2 GLN A 57 -2.075 13.841 5.920 1.00 0.00 N flip ATOM 0 H GLN A 57 1.406 10.543 4.326 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.320 11.291 2.038 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.570 10.779 4.083 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.547 11.850 5.020 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.363 13.690 3.322 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.654 12.555 2.981 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.061 13.942 5.883 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.590 14.157 6.742 1.00 0.00 H new ATOM 848 N ASP A 58 0.501 13.651 1.866 1.00 0.00 N ATOM 849 CA ASP A 58 1.152 14.932 1.619 1.00 0.00 C ATOM 850 C ASP A 58 0.118 16.029 1.383 1.00 0.00 C ATOM 851 O ASP A 58 -0.107 16.450 0.249 1.00 0.00 O ATOM 852 CB ASP A 58 2.088 14.829 0.414 1.00 0.00 C ATOM 853 CG ASP A 58 3.200 15.859 0.454 1.00 0.00 C ATOM 854 OD1 ASP A 58 2.901 17.043 0.715 1.00 0.00 O ATOM 855 OD2 ASP A 58 4.368 15.482 0.225 1.00 0.00 O ATOM 0 H ASP A 58 -0.261 13.434 1.223 1.00 0.00 H new ATOM 0 HA ASP A 58 1.737 15.191 2.502 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.523 13.830 0.380 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.511 14.957 -0.502 1.00 0.00 H new ATOM 860 N GLY A 59 -0.508 16.487 2.462 1.00 0.00 N ATOM 861 CA GLY A 59 -1.511 17.531 2.351 1.00 0.00 C ATOM 862 C GLY A 59 -2.876 16.985 1.979 1.00 0.00 C ATOM 863 O GLY A 59 -3.672 16.633 2.851 1.00 0.00 O ATOM 0 H GLY A 59 -0.339 16.154 3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.582 18.065 3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.196 18.256 1.600 1.00 0.00 H new ATOM 867 N THR A 60 -3.150 16.916 0.680 1.00 0.00 N ATOM 868 CA THR A 60 -4.429 16.413 0.194 1.00 0.00 C ATOM 869 C THR A 60 -4.262 15.066 -0.500 1.00 0.00 C ATOM 870 O THR A 60 -5.210 14.288 -0.604 1.00 0.00 O ATOM 871 CB THR A 60 -5.087 17.404 -0.784 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.110 17.912 -1.699 1.00 0.00 O ATOM 873 CG2 THR A 60 -5.734 18.558 -0.032 1.00 0.00 C ATOM 0 H THR A 60 -2.503 17.202 -0.055 1.00 0.00 H new ATOM 0 HA THR A 60 -5.073 16.292 1.065 1.00 0.00 H new ATOM 0 HB THR A 60 -5.861 16.873 -1.338 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.537 18.540 -2.318 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.192 19.245 -0.744 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.498 18.170 0.642 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.976 19.087 0.546 1.00 0.00 H new ATOM 881 N LYS A 61 -3.050 14.796 -0.973 1.00 0.00 N ATOM 882 CA LYS A 61 -2.757 13.542 -1.656 1.00 0.00 C ATOM 883 C LYS A 61 -2.374 12.455 -0.657 1.00 0.00 C ATOM 884 O LYS A 61 -1.784 12.737 0.386 1.00 0.00 O ATOM 885 CB LYS A 61 -1.627 13.740 -2.668 1.00 0.00 C ATOM 886 CG LYS A 61 -2.038 14.543 -3.890 1.00 0.00 C ATOM 887 CD LYS A 61 -0.889 14.693 -4.872 1.00 0.00 C ATOM 888 CE LYS A 61 -1.021 15.965 -5.696 1.00 0.00 C ATOM 889 NZ LYS A 61 -0.525 17.159 -4.957 1.00 0.00 N ATOM 0 H LYS A 61 -2.254 15.430 -0.896 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.657 13.226 -2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.794 14.243 -2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.264 12.764 -2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.877 14.053 -4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.383 15.529 -3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.056 14.707 -4.329 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.862 13.829 -5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.462 15.855 -6.625 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.066 16.115 -5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.632 18.005 -5.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.075 17.279 -4.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.479 17.028 -4.719 1.00 0.00 H new ATOM 903 N CYS A 62 -2.711 11.212 -0.984 1.00 0.00 N ATOM 904 CA CYS A 62 -2.402 10.082 -0.115 1.00 0.00 C ATOM 905 C CYS A 62 -1.703 8.972 -0.894 1.00 0.00 C ATOM 906 O CYS A 62 -1.627 9.017 -2.121 1.00 0.00 O ATOM 907 CB CYS A 62 -3.679 9.543 0.531 1.00 0.00 C ATOM 908 SG CYS A 62 -4.596 10.770 1.491 1.00 0.00 S ATOM 0 H CYS A 62 -3.198 10.961 -1.844 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.728 10.431 0.668 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.329 9.148 -0.250 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.419 8.708 1.182 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.701 11.066 0.874 1.00 0.00 H new ATOM 914 N GLU A 63 -1.195 7.979 -0.171 1.00 0.00 N ATOM 915 CA GLU A 63 -0.500 6.859 -0.796 1.00 0.00 C ATOM 916 C GLU A 63 -0.400 5.677 0.165 1.00 0.00 C ATOM 917 O GLU A 63 -0.053 5.842 1.335 1.00 0.00 O ATOM 918 CB GLU A 63 0.899 7.285 -1.246 1.00 0.00 C ATOM 919 CG GLU A 63 1.759 6.131 -1.733 1.00 0.00 C ATOM 920 CD GLU A 63 3.144 6.575 -2.159 1.00 0.00 C ATOM 921 OE1 GLU A 63 4.041 6.637 -1.292 1.00 0.00 O ATOM 922 OE2 GLU A 63 3.333 6.860 -3.360 1.00 0.00 O ATOM 0 H GLU A 63 -1.251 7.927 0.846 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.075 6.548 -1.668 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.806 8.020 -2.045 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.404 7.778 -0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.848 5.389 -0.940 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.264 5.643 -2.572 1.00 0.00 H new ATOM 929 N LEU A 64 -0.707 4.487 -0.338 1.00 0.00 N ATOM 930 CA LEU A 64 -0.652 3.276 0.474 1.00 0.00 C ATOM 931 C LEU A 64 0.015 2.137 -0.290 1.00 0.00 C ATOM 932 O LEU A 64 -0.544 1.610 -1.250 1.00 0.00 O ATOM 933 CB LEU A 64 -2.061 2.861 0.902 1.00 0.00 C ATOM 934 CG LEU A 64 -2.205 1.441 1.450 1.00 0.00 C ATOM 935 CD1 LEU A 64 -2.478 0.459 0.322 1.00 0.00 C ATOM 936 CD2 LEU A 64 -0.957 1.038 2.221 1.00 0.00 C ATOM 0 H LEU A 64 -0.997 4.334 -1.304 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.057 3.491 1.362 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.408 3.560 1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.726 2.967 0.045 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.053 1.420 2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.578 -0.546 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.401 0.737 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.651 0.482 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.077 0.025 2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.092 1.075 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.806 1.725 3.054 1.00 0.00 H new ATOM 948 N GLN A 65 1.214 1.762 0.146 1.00 0.00 N ATOM 949 CA GLN A 65 1.957 0.685 -0.497 1.00 0.00 C ATOM 950 C GLN A 65 1.749 -0.634 0.240 1.00 0.00 C ATOM 951 O GLN A 65 1.578 -0.655 1.459 1.00 0.00 O ATOM 952 CB GLN A 65 3.447 1.025 -0.548 1.00 0.00 C ATOM 953 CG GLN A 65 3.863 1.750 -1.818 1.00 0.00 C ATOM 954 CD GLN A 65 5.349 2.045 -1.862 1.00 0.00 C ATOM 955 OE1 GLN A 65 6.161 1.163 -2.139 1.00 0.00 O ATOM 956 NE2 GLN A 65 5.713 3.293 -1.588 1.00 0.00 N ATOM 0 H GLN A 65 1.691 2.188 0.941 1.00 0.00 H new ATOM 0 HA GLN A 65 1.582 0.575 -1.515 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.700 1.644 0.313 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.024 0.105 -0.459 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.591 1.145 -2.683 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.308 2.685 -1.896 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.006 3.993 -1.363 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.700 3.551 -1.602 1.00 0.00 H new ATOM 965 N ILE A 66 1.765 -1.733 -0.508 1.00 0.00 N ATOM 966 CA ILE A 66 1.579 -3.056 0.075 1.00 0.00 C ATOM 967 C ILE A 66 2.726 -3.988 -0.300 1.00 0.00 C ATOM 968 O ILE A 66 2.764 -4.527 -1.407 1.00 0.00 O ATOM 969 CB ILE A 66 0.249 -3.688 -0.376 1.00 0.00 C ATOM 970 CG1 ILE A 66 -0.927 -2.798 0.028 1.00 0.00 C ATOM 971 CG2 ILE A 66 0.096 -5.080 0.217 1.00 0.00 C ATOM 972 CD1 ILE A 66 -2.178 -3.041 -0.788 1.00 0.00 C ATOM 0 H ILE A 66 1.905 -1.733 -1.518 1.00 0.00 H new ATOM 0 HA ILE A 66 1.560 -2.925 1.157 1.00 0.00 H new ATOM 0 HB ILE A 66 0.256 -3.776 -1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.152 -2.964 1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.633 -1.753 -0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.849 -5.513 -0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.920 -5.710 -0.117 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.107 -5.015 1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.970 -2.375 -0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.969 -2.847 -1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.497 -4.076 -0.666 1.00 0.00 H new ATOM 984 N ARG A 67 3.658 -4.175 0.629 1.00 0.00 N ATOM 985 CA ARG A 67 4.806 -5.043 0.396 1.00 0.00 C ATOM 986 C ARG A 67 4.465 -6.494 0.723 1.00 0.00 C ATOM 987 O ARG A 67 4.049 -6.809 1.837 1.00 0.00 O ATOM 988 CB ARG A 67 5.997 -4.585 1.238 1.00 0.00 C ATOM 989 CG ARG A 67 6.578 -3.251 0.798 1.00 0.00 C ATOM 990 CD ARG A 67 7.500 -2.668 1.858 1.00 0.00 C ATOM 991 NE ARG A 67 7.674 -1.227 1.699 1.00 0.00 N ATOM 992 CZ ARG A 67 8.650 -0.536 2.278 1.00 0.00 C ATOM 993 NH1 ARG A 67 9.535 -1.152 3.050 1.00 0.00 N ATOM 994 NH2 ARG A 67 8.743 0.773 2.085 1.00 0.00 N ATOM 0 H ARG A 67 3.640 -3.737 1.550 1.00 0.00 H new ATOM 0 HA ARG A 67 5.071 -4.979 -0.659 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.687 -4.510 2.280 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.777 -5.345 1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.129 -3.382 -0.133 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.769 -2.550 0.593 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.093 -2.877 2.847 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.472 -3.159 1.803 1.00 0.00 H new ATOM 0 HE ARG A 67 7.010 -0.723 1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.467 -2.159 3.200 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.283 -0.619 3.493 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.065 1.250 1.491 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.493 1.302 2.530 1.00 0.00 H new ATOM 1008 N GLY A 68 4.645 -7.374 -0.258 1.00 0.00 N ATOM 1009 CA GLY A 68 4.352 -8.781 -0.055 1.00 0.00 C ATOM 1010 C GLY A 68 3.069 -9.210 -0.739 1.00 0.00 C ATOM 1011 O GLY A 68 2.230 -9.882 -0.137 1.00 0.00 O ATOM 0 H GLY A 68 4.988 -7.138 -1.189 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.180 -9.380 -0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.276 -8.983 1.013 1.00 0.00 H new ATOM 1015 N LEU A 69 2.914 -8.821 -1.999 1.00 0.00 N ATOM 1016 CA LEU A 69 1.723 -9.168 -2.766 1.00 0.00 C ATOM 1017 C LEU A 69 1.636 -10.676 -2.985 1.00 0.00 C ATOM 1018 O LEU A 69 2.650 -11.341 -3.194 1.00 0.00 O ATOM 1019 CB LEU A 69 1.731 -8.446 -4.114 1.00 0.00 C ATOM 1020 CG LEU A 69 1.275 -6.986 -4.096 1.00 0.00 C ATOM 1021 CD1 LEU A 69 1.468 -6.349 -5.464 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -0.179 -6.887 -3.659 1.00 0.00 C ATOM 0 H LEU A 69 3.598 -8.265 -2.512 1.00 0.00 H new ATOM 0 HA LEU A 69 0.850 -8.851 -2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.742 -8.485 -4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.091 -8.997 -4.803 1.00 0.00 H new ATOM 0 HG LEU A 69 1.887 -6.443 -3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.138 -5.311 -5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.523 -6.386 -5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.882 -6.893 -6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.486 -5.841 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.807 -7.445 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.287 -7.304 -2.658 1.00 0.00 H new ATOM 1034 N ALA A 70 0.419 -11.206 -2.938 1.00 0.00 N ATOM 1035 CA ALA A 70 0.200 -12.634 -3.135 1.00 0.00 C ATOM 1036 C ALA A 70 -1.260 -12.924 -3.467 1.00 0.00 C ATOM 1037 O ALA A 70 -2.147 -12.128 -3.159 1.00 0.00 O ATOM 1038 CB ALA A 70 0.626 -13.409 -1.898 1.00 0.00 C ATOM 0 H ALA A 70 -0.431 -10.669 -2.765 1.00 0.00 H new ATOM 0 HA ALA A 70 0.809 -12.957 -3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.457 -14.474 -2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.685 -13.235 -1.706 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.042 -13.075 -1.040 1.00 0.00 H new ATOM 1044 N MET A 71 -1.503 -14.069 -4.096 1.00 0.00 N ATOM 1045 CA MET A 71 -2.856 -14.465 -4.469 1.00 0.00 C ATOM 1046 C MET A 71 -3.839 -14.167 -3.341 1.00 0.00 C ATOM 1047 O MET A 71 -5.006 -13.863 -3.586 1.00 0.00 O ATOM 1048 CB MET A 71 -2.897 -15.954 -4.818 1.00 0.00 C ATOM 1049 CG MET A 71 -2.142 -16.300 -6.091 1.00 0.00 C ATOM 1050 SD MET A 71 -3.180 -16.206 -7.562 1.00 0.00 S ATOM 1051 CE MET A 71 -3.050 -14.464 -7.957 1.00 0.00 C ATOM 0 H MET A 71 -0.780 -14.739 -4.358 1.00 0.00 H new ATOM 0 HA MET A 71 -3.149 -13.887 -5.345 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.477 -16.525 -3.990 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.936 -16.265 -4.925 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.297 -15.621 -6.203 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.733 -17.306 -6.004 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.952 -14.342 -9.036 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.945 -13.945 -7.613 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.174 -14.043 -7.463 1.00 0.00 H new ATOM 1061 N ALA A 72 -3.359 -14.258 -2.105 1.00 0.00 N ATOM 1062 CA ALA A 72 -4.196 -13.996 -0.940 1.00 0.00 C ATOM 1063 C ALA A 72 -4.488 -12.507 -0.797 1.00 0.00 C ATOM 1064 O ALA A 72 -5.625 -12.109 -0.542 1.00 0.00 O ATOM 1065 CB ALA A 72 -3.528 -14.528 0.319 1.00 0.00 C ATOM 0 H ALA A 72 -2.396 -14.511 -1.885 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.145 -14.513 -1.082 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.163 -14.326 1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.377 -15.603 0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.565 -14.037 0.455 1.00 0.00 H new ATOM 1071 N ASP A 73 -3.456 -11.687 -0.962 1.00 0.00 N ATOM 1072 CA ASP A 73 -3.602 -10.241 -0.852 1.00 0.00 C ATOM 1073 C ASP A 73 -4.713 -9.736 -1.767 1.00 0.00 C ATOM 1074 O ASP A 73 -5.402 -8.766 -1.449 1.00 0.00 O ATOM 1075 CB ASP A 73 -2.285 -9.545 -1.197 1.00 0.00 C ATOM 1076 CG ASP A 73 -1.135 -10.022 -0.331 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -1.012 -11.248 -0.131 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -0.358 -9.169 0.147 1.00 0.00 O ATOM 0 H ASP A 73 -2.508 -12.000 -1.173 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.869 -10.006 0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.046 -9.725 -2.245 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.404 -8.468 -1.077 1.00 0.00 H new ATOM 1083 N THR A 74 -4.881 -10.399 -2.907 1.00 0.00 N ATOM 1084 CA THR A 74 -5.906 -10.016 -3.870 1.00 0.00 C ATOM 1085 C THR A 74 -7.247 -9.783 -3.182 1.00 0.00 C ATOM 1086 O THR A 74 -7.824 -10.699 -2.598 1.00 0.00 O ATOM 1087 CB THR A 74 -6.082 -11.090 -4.960 1.00 0.00 C ATOM 1088 OG1 THR A 74 -4.803 -11.486 -5.468 1.00 0.00 O ATOM 1089 CG2 THR A 74 -6.946 -10.570 -6.098 1.00 0.00 C ATOM 0 H THR A 74 -4.320 -11.204 -3.186 1.00 0.00 H new ATOM 0 HA THR A 74 -5.572 -9.088 -4.335 1.00 0.00 H new ATOM 0 HB THR A 74 -6.578 -11.952 -4.513 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.469 -12.250 -4.954 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.056 -11.346 -6.855 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.929 -10.297 -5.713 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.474 -9.694 -6.542 1.00 0.00 H new ATOM 1097 N GLY A 75 -7.738 -8.549 -3.257 1.00 0.00 N ATOM 1098 CA GLY A 75 -9.008 -8.218 -2.638 1.00 0.00 C ATOM 1099 C GLY A 75 -9.528 -6.862 -3.071 1.00 0.00 C ATOM 1100 O GLY A 75 -9.446 -6.506 -4.246 1.00 0.00 O ATOM 0 H GLY A 75 -7.279 -7.774 -3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.742 -8.983 -2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.895 -8.231 -1.554 1.00 0.00 H new ATOM 1104 N GLU A 76 -10.067 -6.105 -2.121 1.00 0.00 N ATOM 1105 CA GLU A 76 -10.605 -4.781 -2.412 1.00 0.00 C ATOM 1106 C GLU A 76 -10.199 -3.780 -1.335 1.00 0.00 C ATOM 1107 O GLU A 76 -10.548 -3.936 -0.164 1.00 0.00 O ATOM 1108 CB GLU A 76 -12.130 -4.839 -2.523 1.00 0.00 C ATOM 1109 CG GLU A 76 -12.785 -3.472 -2.622 1.00 0.00 C ATOM 1110 CD GLU A 76 -14.270 -3.514 -2.320 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -14.632 -3.573 -1.126 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -15.071 -3.487 -3.278 1.00 0.00 O ATOM 0 H GLU A 76 -10.143 -6.386 -1.143 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.191 -4.450 -3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.400 -5.426 -3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.530 -5.362 -1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.296 -2.788 -1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.633 -3.072 -3.625 1.00 0.00 H new ATOM 1119 N TYR A 77 -9.461 -2.752 -1.738 1.00 0.00 N ATOM 1120 CA TYR A 77 -9.005 -1.726 -0.808 1.00 0.00 C ATOM 1121 C TYR A 77 -9.884 -0.482 -0.895 1.00 0.00 C ATOM 1122 O TYR A 77 -10.279 -0.062 -1.983 1.00 0.00 O ATOM 1123 CB TYR A 77 -7.549 -1.357 -1.096 1.00 0.00 C ATOM 1124 CG TYR A 77 -6.565 -2.446 -0.734 1.00 0.00 C ATOM 1125 CD1 TYR A 77 -6.025 -2.526 0.543 1.00 0.00 C ATOM 1126 CD2 TYR A 77 -6.177 -3.397 -1.671 1.00 0.00 C ATOM 1127 CE1 TYR A 77 -5.126 -3.520 0.877 1.00 0.00 C ATOM 1128 CE2 TYR A 77 -5.279 -4.395 -1.345 1.00 0.00 C ATOM 1129 CZ TYR A 77 -4.755 -4.452 -0.070 1.00 0.00 C ATOM 1130 OH TYR A 77 -3.861 -5.444 0.260 1.00 0.00 O ATOM 0 H TYR A 77 -9.166 -2.607 -2.703 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.077 -2.130 0.202 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.445 -1.123 -2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.296 -0.452 -0.543 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -6.313 -1.799 1.288 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.584 -3.355 -2.670 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.715 -3.567 1.875 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.989 -5.127 -2.084 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.707 -6.018 -0.519 1.00 0.00 H new ATOM 1140 N SER A 78 -10.186 0.104 0.259 1.00 0.00 N ATOM 1141 CA SER A 78 -11.020 1.299 0.315 1.00 0.00 C ATOM 1142 C SER A 78 -10.393 2.358 1.216 1.00 0.00 C ATOM 1143 O SER A 78 -10.157 2.119 2.401 1.00 0.00 O ATOM 1144 CB SER A 78 -12.420 0.946 0.821 1.00 0.00 C ATOM 1145 OG SER A 78 -12.867 -0.281 0.269 1.00 0.00 O ATOM 0 H SER A 78 -9.866 -0.229 1.168 1.00 0.00 H new ATOM 0 HA SER A 78 -11.098 1.705 -0.693 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.410 0.877 1.909 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.117 1.742 0.558 1.00 0.00 H new ATOM 0 HG SER A 78 -13.763 -0.485 0.609 1.00 0.00 H new ATOM 1151 N CYS A 79 -10.126 3.528 0.647 1.00 0.00 N ATOM 1152 CA CYS A 79 -9.526 4.624 1.398 1.00 0.00 C ATOM 1153 C CYS A 79 -10.599 5.552 1.958 1.00 0.00 C ATOM 1154 O CYS A 79 -11.194 6.343 1.227 1.00 0.00 O ATOM 1155 CB CYS A 79 -8.566 5.415 0.507 1.00 0.00 C ATOM 1156 SG CYS A 79 -7.275 6.298 1.413 1.00 0.00 S ATOM 0 H CYS A 79 -10.316 3.742 -0.332 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.969 4.197 2.232 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.096 4.731 -0.199 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.140 6.133 -0.079 1.00 0.00 H new ATOM 0 HG CYS A 79 -6.124 5.739 1.183 1.00 0.00 H new ATOM 1162 N VAL A 80 -10.843 5.447 3.261 1.00 0.00 N ATOM 1163 CA VAL A 80 -11.845 6.276 3.920 1.00 0.00 C ATOM 1164 C VAL A 80 -11.217 7.536 4.506 1.00 0.00 C ATOM 1165 O VAL A 80 -10.162 7.480 5.139 1.00 0.00 O ATOM 1166 CB VAL A 80 -12.562 5.503 5.043 1.00 0.00 C ATOM 1167 CG1 VAL A 80 -13.934 6.103 5.312 1.00 0.00 C ATOM 1168 CG2 VAL A 80 -12.676 4.029 4.685 1.00 0.00 C ATOM 0 H VAL A 80 -10.360 4.796 3.881 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.574 6.557 3.160 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.970 5.587 5.955 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.426 5.544 6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.823 7.144 5.615 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -14.538 6.051 4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.185 3.498 5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.245 3.922 3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.679 3.610 4.547 1.00 0.00 H new ATOM 1178 N CYS A 81 -11.873 8.671 4.291 1.00 0.00 N ATOM 1179 CA CYS A 81 -11.379 9.947 4.797 1.00 0.00 C ATOM 1180 C CYS A 81 -12.233 10.436 5.963 1.00 0.00 C ATOM 1181 O CYS A 81 -11.716 10.975 6.941 1.00 0.00 O ATOM 1182 CB CYS A 81 -11.370 10.993 3.682 1.00 0.00 C ATOM 1183 SG CYS A 81 -12.964 11.204 2.855 1.00 0.00 S ATOM 0 H CYS A 81 -12.748 8.734 3.770 1.00 0.00 H new ATOM 0 HA CYS A 81 -10.360 9.799 5.153 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -11.060 11.951 4.100 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -10.622 10.711 2.940 1.00 0.00 H new ATOM 0 HG CYS A 81 -13.054 10.365 1.866 1.00 0.00 H new ATOM 1189 N GLY A 82 -13.544 10.246 5.850 1.00 0.00 N ATOM 1190 CA GLY A 82 -14.449 10.675 6.901 1.00 0.00 C ATOM 1191 C GLY A 82 -15.900 10.388 6.569 1.00 0.00 C ATOM 1192 O GLY A 82 -16.553 9.597 7.249 1.00 0.00 O ATOM 0 H GLY A 82 -13.996 9.803 5.050 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.186 10.171 7.831 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.323 11.744 7.071 1.00 0.00 H new ATOM 1196 N GLN A 83 -16.405 11.034 5.523 1.00 0.00 N ATOM 1197 CA GLN A 83 -17.789 10.846 5.104 1.00 0.00 C ATOM 1198 C GLN A 83 -17.868 9.950 3.872 1.00 0.00 C ATOM 1199 O GLN A 83 -18.760 9.110 3.761 1.00 0.00 O ATOM 1200 CB GLN A 83 -18.443 12.197 4.811 1.00 0.00 C ATOM 1201 CG GLN A 83 -18.488 13.126 6.013 1.00 0.00 C ATOM 1202 CD GLN A 83 -19.513 12.696 7.045 1.00 0.00 C ATOM 1203 OE1 GLN A 83 -20.061 11.596 6.971 1.00 0.00 O ATOM 1204 NE2 GLN A 83 -19.777 13.565 8.014 1.00 0.00 N ATOM 0 H GLN A 83 -15.877 11.692 4.950 1.00 0.00 H new ATOM 0 HA GLN A 83 -18.326 10.360 5.918 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.898 12.687 4.004 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.459 12.029 4.454 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -17.503 13.161 6.478 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -18.718 14.137 5.677 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -19.299 14.466 8.036 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -20.458 13.332 8.737 1.00 0.00 H new ATOM 1213 N GLU A 84 -16.929 10.137 2.950 1.00 0.00 N ATOM 1214 CA GLU A 84 -16.895 9.346 1.725 1.00 0.00 C ATOM 1215 C GLU A 84 -15.600 8.544 1.632 1.00 0.00 C ATOM 1216 O GLU A 84 -14.675 8.745 2.418 1.00 0.00 O ATOM 1217 CB GLU A 84 -17.035 10.254 0.501 1.00 0.00 C ATOM 1218 CG GLU A 84 -18.241 11.176 0.563 1.00 0.00 C ATOM 1219 CD GLU A 84 -19.542 10.456 0.262 1.00 0.00 C ATOM 1220 OE1 GLU A 84 -19.557 9.618 -0.663 1.00 0.00 O ATOM 1221 OE2 GLU A 84 -20.545 10.731 0.954 1.00 0.00 O ATOM 0 H GLU A 84 -16.183 10.828 3.028 1.00 0.00 H new ATOM 0 HA GLU A 84 -17.733 8.649 1.749 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.132 10.856 0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.106 9.635 -0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.300 11.625 1.554 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -18.108 11.991 -0.149 1.00 0.00 H new ATOM 1228 N ARG A 85 -15.543 7.635 0.664 1.00 0.00 N ATOM 1229 CA ARG A 85 -14.363 6.801 0.468 1.00 0.00 C ATOM 1230 C ARG A 85 -14.314 6.254 -0.956 1.00 0.00 C ATOM 1231 O ARG A 85 -15.302 6.311 -1.689 1.00 0.00 O ATOM 1232 CB ARG A 85 -14.357 5.645 1.470 1.00 0.00 C ATOM 1233 CG ARG A 85 -15.011 4.379 0.943 1.00 0.00 C ATOM 1234 CD ARG A 85 -15.503 3.493 2.077 1.00 0.00 C ATOM 1235 NE ARG A 85 -16.661 2.694 1.684 1.00 0.00 N ATOM 1236 CZ ARG A 85 -17.905 3.160 1.671 1.00 0.00 C ATOM 1237 NH1 ARG A 85 -18.150 4.413 2.027 1.00 0.00 N ATOM 1238 NH2 ARG A 85 -18.906 2.371 1.302 1.00 0.00 N ATOM 0 H ARG A 85 -16.300 7.457 0.004 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.481 7.420 0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.327 5.423 1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.872 5.959 2.378 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.848 4.643 0.296 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.297 3.827 0.332 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -14.697 2.832 2.396 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -15.765 4.113 2.934 1.00 0.00 H new ATOM 0 HE ARG A 85 -16.506 1.725 1.404 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -17.383 5.022 2.312 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -19.106 4.769 2.016 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -18.721 1.406 1.028 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -19.861 2.729 1.292 1.00 0.00 H new ATOM 1252 N THR A 86 -13.157 5.725 -1.341 1.00 0.00 N ATOM 1253 CA THR A 86 -12.978 5.170 -2.677 1.00 0.00 C ATOM 1254 C THR A 86 -12.687 3.675 -2.616 1.00 0.00 C ATOM 1255 O THR A 86 -12.684 3.076 -1.541 1.00 0.00 O ATOM 1256 CB THR A 86 -11.833 5.874 -3.430 1.00 0.00 C ATOM 1257 OG1 THR A 86 -11.679 5.302 -4.733 1.00 0.00 O ATOM 1258 CG2 THR A 86 -10.526 5.755 -2.660 1.00 0.00 C ATOM 0 H THR A 86 -12.330 5.669 -0.747 1.00 0.00 H new ATOM 0 HA THR A 86 -13.911 5.335 -3.215 1.00 0.00 H new ATOM 0 HB THR A 86 -12.085 6.930 -3.525 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.539 5.323 -5.203 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.732 6.259 -3.211 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.638 6.218 -1.679 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.270 4.702 -2.537 1.00 0.00 H new ATOM 1266 N SER A 87 -12.442 3.077 -3.778 1.00 0.00 N ATOM 1267 CA SER A 87 -12.153 1.650 -3.857 1.00 0.00 C ATOM 1268 C SER A 87 -11.401 1.318 -5.142 1.00 0.00 C ATOM 1269 O SER A 87 -11.580 1.976 -6.167 1.00 0.00 O ATOM 1270 CB SER A 87 -13.449 0.840 -3.787 1.00 0.00 C ATOM 1271 OG SER A 87 -14.538 1.575 -4.318 1.00 0.00 O ATOM 0 H SER A 87 -12.438 3.559 -4.677 1.00 0.00 H new ATOM 0 HA SER A 87 -11.522 1.385 -3.009 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.330 -0.091 -4.341 1.00 0.00 H new ATOM 0 HB3 SER A 87 -13.658 0.571 -2.752 1.00 0.00 H new ATOM 0 HG SER A 87 -15.354 1.035 -4.264 1.00 0.00 H new ATOM 1277 N ALA A 88 -10.558 0.292 -5.080 1.00 0.00 N ATOM 1278 CA ALA A 88 -9.780 -0.129 -6.238 1.00 0.00 C ATOM 1279 C ALA A 88 -9.304 -1.569 -6.085 1.00 0.00 C ATOM 1280 O ALA A 88 -8.378 -1.850 -5.324 1.00 0.00 O ATOM 1281 CB ALA A 88 -8.594 0.802 -6.444 1.00 0.00 C ATOM 0 H ALA A 88 -10.397 -0.263 -4.239 1.00 0.00 H new ATOM 0 HA ALA A 88 -10.424 -0.078 -7.116 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.022 0.476 -7.312 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.953 1.818 -6.607 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.956 0.780 -5.560 1.00 0.00 H new ATOM 1287 N MET A 89 -9.943 -2.479 -6.813 1.00 0.00 N ATOM 1288 CA MET A 89 -9.584 -3.892 -6.758 1.00 0.00 C ATOM 1289 C MET A 89 -8.113 -4.092 -7.109 1.00 0.00 C ATOM 1290 O MET A 89 -7.634 -3.595 -8.129 1.00 0.00 O ATOM 1291 CB MET A 89 -10.463 -4.702 -7.712 1.00 0.00 C ATOM 1292 CG MET A 89 -9.723 -5.830 -8.411 1.00 0.00 C ATOM 1293 SD MET A 89 -9.204 -7.130 -7.274 1.00 0.00 S ATOM 1294 CE MET A 89 -10.789 -7.815 -6.798 1.00 0.00 C ATOM 0 H MET A 89 -10.712 -2.264 -7.448 1.00 0.00 H new ATOM 0 HA MET A 89 -9.748 -4.244 -5.739 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.301 -5.119 -7.154 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.882 -4.033 -8.464 1.00 0.00 H new ATOM 0 HG2 MET A 89 -10.366 -6.260 -9.179 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.847 -5.425 -8.918 1.00 0.00 H new ATOM 0 HE1 MET A 89 -10.644 -8.812 -6.382 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.253 -7.173 -6.049 1.00 0.00 H new ATOM 0 HE3 MET A 89 -11.436 -7.877 -7.673 1.00 0.00 H new ATOM 1304 N LEU A 90 -7.401 -4.823 -6.259 1.00 0.00 N ATOM 1305 CA LEU A 90 -5.984 -5.090 -6.479 1.00 0.00 C ATOM 1306 C LEU A 90 -5.767 -6.522 -6.956 1.00 0.00 C ATOM 1307 O LEU A 90 -5.769 -7.461 -6.158 1.00 0.00 O ATOM 1308 CB LEU A 90 -5.192 -4.842 -5.194 1.00 0.00 C ATOM 1309 CG LEU A 90 -3.804 -5.480 -5.127 1.00 0.00 C ATOM 1310 CD1 LEU A 90 -2.970 -5.072 -6.332 1.00 0.00 C ATOM 1311 CD2 LEU A 90 -3.101 -5.094 -3.834 1.00 0.00 C ATOM 0 H LEU A 90 -7.782 -5.242 -5.410 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.628 -4.411 -7.254 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.082 -3.766 -5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.780 -5.209 -4.352 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.922 -6.563 -5.143 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.986 -5.536 -6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.466 -5.400 -7.246 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.860 -3.988 -6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.115 -5.557 -3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.995 -4.010 -3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.689 -5.438 -2.983 1.00 0.00 H new ATOM 1323 N THR A 91 -5.577 -6.684 -8.262 1.00 0.00 N ATOM 1324 CA THR A 91 -5.357 -8.002 -8.844 1.00 0.00 C ATOM 1325 C THR A 91 -3.877 -8.368 -8.834 1.00 0.00 C ATOM 1326 O THR A 91 -3.074 -7.770 -9.550 1.00 0.00 O ATOM 1327 CB THR A 91 -5.881 -8.071 -10.291 1.00 0.00 C ATOM 1328 OG1 THR A 91 -7.307 -7.941 -10.303 1.00 0.00 O ATOM 1329 CG2 THR A 91 -5.481 -9.382 -10.950 1.00 0.00 C ATOM 0 H THR A 91 -5.571 -5.919 -8.936 1.00 0.00 H new ATOM 0 HA THR A 91 -5.909 -8.714 -8.231 1.00 0.00 H new ATOM 0 HB THR A 91 -5.437 -7.250 -10.854 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.620 -7.693 -9.408 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.862 -9.407 -11.971 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.394 -9.464 -10.966 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.899 -10.215 -10.386 1.00 0.00 H new ATOM 1337 N VAL A 92 -3.522 -9.355 -8.017 1.00 0.00 N ATOM 1338 CA VAL A 92 -2.139 -9.802 -7.915 1.00 0.00 C ATOM 1339 C VAL A 92 -1.832 -10.880 -8.948 1.00 0.00 C ATOM 1340 O VAL A 92 -1.981 -12.072 -8.679 1.00 0.00 O ATOM 1341 CB VAL A 92 -1.829 -10.350 -6.509 1.00 0.00 C ATOM 1342 CG1 VAL A 92 -0.424 -10.932 -6.460 1.00 0.00 C ATOM 1343 CG2 VAL A 92 -1.999 -9.259 -5.463 1.00 0.00 C ATOM 0 H VAL A 92 -4.174 -9.860 -7.416 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.510 -8.932 -8.105 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.536 -11.149 -6.286 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.223 -11.314 -5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.341 -11.744 -7.182 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.300 -10.155 -6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.776 -9.664 -4.476 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.317 -8.437 -5.681 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.026 -8.894 -5.482 1.00 0.00 H new ATOM 1353 N ARG A 93 -1.401 -10.454 -10.130 1.00 0.00 N ATOM 1354 CA ARG A 93 -1.073 -11.383 -11.205 1.00 0.00 C ATOM 1355 C ARG A 93 -0.023 -12.392 -10.750 1.00 0.00 C ATOM 1356 O ARG A 93 1.135 -12.039 -10.527 1.00 0.00 O ATOM 1357 CB ARG A 93 -0.566 -10.620 -12.430 1.00 0.00 C ATOM 1358 CG ARG A 93 -1.604 -9.694 -13.044 1.00 0.00 C ATOM 1359 CD ARG A 93 -2.697 -10.476 -13.756 1.00 0.00 C ATOM 1360 NE ARG A 93 -3.536 -9.614 -14.583 1.00 0.00 N ATOM 1361 CZ ARG A 93 -4.284 -10.060 -15.586 1.00 0.00 C ATOM 1362 NH1 ARG A 93 -4.298 -11.352 -15.883 1.00 0.00 N ATOM 1363 NH2 ARG A 93 -5.021 -9.214 -16.293 1.00 0.00 N ATOM 0 H ARG A 93 -1.271 -9.471 -10.368 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.980 -11.925 -11.473 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.308 -10.034 -12.146 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.239 -11.336 -13.184 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.047 -9.075 -12.264 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.119 -9.019 -13.750 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.244 -11.247 -14.379 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.317 -10.986 -13.019 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.549 -8.615 -14.380 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.734 -12.006 -15.341 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.873 -11.692 -16.654 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -5.014 -8.219 -16.067 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.595 -9.558 -17.063 1.00 0.00 H new ATOM 1377 N ALA A 94 -0.436 -13.647 -10.613 1.00 0.00 N ATOM 1378 CA ALA A 94 0.469 -14.707 -10.186 1.00 0.00 C ATOM 1379 C ALA A 94 1.651 -14.838 -11.141 1.00 0.00 C ATOM 1380 O ALA A 94 1.481 -14.824 -12.361 1.00 0.00 O ATOM 1381 CB ALA A 94 -0.278 -16.029 -10.084 1.00 0.00 C ATOM 0 H ALA A 94 -1.392 -13.955 -10.792 1.00 0.00 H new ATOM 0 HA ALA A 94 0.858 -14.444 -9.202 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.410 -16.812 -9.764 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.085 -15.936 -9.357 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.695 -16.288 -11.057 1.00 0.00 H new ATOM 1387 N LEU A 95 2.848 -14.963 -10.579 1.00 0.00 N ATOM 1388 CA LEU A 95 4.059 -15.096 -11.381 1.00 0.00 C ATOM 1389 C LEU A 95 4.085 -16.435 -12.111 1.00 0.00 C ATOM 1390 O LEU A 95 3.521 -17.429 -11.655 1.00 0.00 O ATOM 1391 CB LEU A 95 5.298 -14.961 -10.495 1.00 0.00 C ATOM 1392 CG LEU A 95 5.552 -13.575 -9.901 1.00 0.00 C ATOM 1393 CD1 LEU A 95 6.363 -13.683 -8.619 1.00 0.00 C ATOM 1394 CD2 LEU A 95 6.262 -12.684 -10.911 1.00 0.00 C ATOM 0 H LEU A 95 3.006 -14.975 -9.571 1.00 0.00 H new ATOM 0 HA LEU A 95 4.062 -14.298 -12.124 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.214 -15.675 -9.676 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.171 -15.249 -11.080 1.00 0.00 H new ATOM 0 HG LEU A 95 4.590 -13.122 -9.660 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.534 -12.687 -8.211 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.816 -14.284 -7.892 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.321 -14.156 -8.833 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.435 -11.702 -10.471 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.217 -13.133 -11.184 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.643 -12.579 -11.802 1.00 0.00 H new