USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 597 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 Single : A 17 LYS NZ :NH3+ 162:sc= -0.173 (180deg=-0.657) USER MOD Single : A 18 ASN : amide:sc= -0.267 K(o=-0.27,f=-2.1!) USER MOD Single : A 20 ASN : amide:sc= -3.8! C(o=-3.8!,f=-4!) USER MOD Single : A 21 SER OG : rot -146:sc= -1.35! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -47:sc= 1.1 USER MOD Single : A 32 LYS NZ :NH3+ 150:sc= -0.114 (180deg=-0.608) USER MOD Single : A 45 TYR OH : rot 130:sc= -0.249 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HE2:sc= -0.718 K(o=-0.72,f=-4.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -4.29! C(o=-4.3!,f=-6.9!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.00575 USER MOD Single : A 79 THR OG1 : rot 160:sc= -0.379 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -1.81 F(o=-4.9!,f=-1.8) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN :FLIP amide:sc= -4.11! C(o=-6.7!,f=-4.1!) USER MOD Single : A 92 GLN : amide:sc= -0.0791 K(o=-0.079,f=-1.3!) USER MOD Single : A 95 HIS : no HD1:sc= -10.4! C(o=-10!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 96 N GLY A 8 6.557 0.870 -3.458 1.00 0.00 N ATOM 97 CA GLY A 8 7.106 2.205 -3.305 1.00 0.00 C ATOM 98 C GLY A 8 6.693 3.094 -4.458 1.00 0.00 C ATOM 99 O GLY A 8 7.393 4.042 -4.816 1.00 0.00 O ATOM 0 HA2 GLY A 8 6.763 2.638 -2.365 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.193 2.152 -3.253 1.00 0.00 H new ATOM 103 N ASP A 9 5.557 2.752 -5.056 1.00 0.00 N ATOM 104 CA ASP A 9 5.015 3.452 -6.193 1.00 0.00 C ATOM 105 C ASP A 9 3.797 2.687 -6.635 1.00 0.00 C ATOM 106 O ASP A 9 3.016 2.219 -5.805 1.00 0.00 O ATOM 107 CB ASP A 9 6.060 3.527 -7.297 1.00 0.00 C ATOM 108 CG ASP A 9 6.315 4.947 -7.763 1.00 0.00 C ATOM 109 OD1 ASP A 9 7.156 5.633 -7.144 1.00 0.00 O ATOM 110 OD2 ASP A 9 5.675 5.373 -8.747 1.00 0.00 O ATOM 0 H ASP A 9 4.984 1.965 -4.751 1.00 0.00 H new ATOM 0 HA ASP A 9 4.740 4.477 -5.943 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.993 3.093 -6.939 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.732 2.924 -8.144 1.00 0.00 H new ATOM 115 N ILE A 10 3.637 2.543 -7.913 1.00 0.00 N ATOM 116 CA ILE A 10 2.517 1.813 -8.422 1.00 0.00 C ATOM 117 C ILE A 10 2.795 0.310 -8.306 1.00 0.00 C ATOM 118 O ILE A 10 3.518 -0.285 -9.104 1.00 0.00 O ATOM 119 CB ILE A 10 2.284 2.225 -9.887 1.00 0.00 C ATOM 120 CG1 ILE A 10 0.828 1.991 -10.286 1.00 0.00 C ATOM 121 CG2 ILE A 10 3.233 1.503 -10.836 1.00 0.00 C ATOM 122 CD1 ILE A 10 0.356 0.575 -10.028 1.00 0.00 C ATOM 0 H ILE A 10 4.266 2.920 -8.622 1.00 0.00 H new ATOM 0 HA ILE A 10 1.618 2.037 -7.847 1.00 0.00 H new ATOM 0 HB ILE A 10 2.497 3.291 -9.968 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.192 2.684 -9.736 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.708 2.219 -11.345 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.036 1.822 -11.860 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.263 1.743 -10.573 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.080 0.427 -10.755 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.686 0.477 -10.334 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.969 -0.123 -10.599 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.445 0.350 -8.965 1.00 0.00 H new ATOM 134 N PHE A 11 2.204 -0.285 -7.275 1.00 0.00 N ATOM 135 CA PHE A 11 2.351 -1.708 -7.000 1.00 0.00 C ATOM 136 C PHE A 11 0.997 -2.409 -7.065 1.00 0.00 C ATOM 137 O PHE A 11 0.011 -1.876 -6.573 1.00 0.00 O ATOM 138 CB PHE A 11 3.011 -1.909 -5.629 1.00 0.00 C ATOM 139 CG PHE A 11 2.893 -3.297 -5.100 1.00 0.00 C ATOM 140 CD1 PHE A 11 3.289 -4.376 -5.867 1.00 0.00 C ATOM 141 CD2 PHE A 11 2.383 -3.520 -3.835 1.00 0.00 C ATOM 142 CE1 PHE A 11 3.177 -5.657 -5.380 1.00 0.00 C ATOM 143 CE2 PHE A 11 2.265 -4.799 -3.344 1.00 0.00 C ATOM 144 CZ PHE A 11 2.664 -5.866 -4.119 1.00 0.00 C ATOM 0 H PHE A 11 1.610 0.206 -6.607 1.00 0.00 H new ATOM 0 HA PHE A 11 2.993 -2.152 -7.761 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.067 -1.647 -5.703 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.561 -1.219 -4.915 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.690 -4.212 -6.856 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.074 -2.683 -3.227 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.490 -6.496 -5.984 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.862 -4.966 -2.356 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.574 -6.872 -3.736 1.00 0.00 H new ATOM 154 N GLU A 12 0.946 -3.609 -7.627 1.00 0.00 N ATOM 155 CA GLU A 12 -0.297 -4.349 -7.699 1.00 0.00 C ATOM 156 C GLU A 12 -0.214 -5.597 -6.824 1.00 0.00 C ATOM 157 O GLU A 12 0.882 -6.117 -6.624 1.00 0.00 O ATOM 158 CB GLU A 12 -0.664 -4.686 -9.153 1.00 0.00 C ATOM 159 CG GLU A 12 -0.602 -6.170 -9.495 1.00 0.00 C ATOM 160 CD GLU A 12 -0.722 -6.430 -10.984 1.00 0.00 C ATOM 161 OE1 GLU A 12 -1.849 -6.336 -11.515 1.00 0.00 O ATOM 162 OE2 GLU A 12 0.311 -6.729 -11.619 1.00 0.00 O ATOM 0 H GLU A 12 1.749 -4.085 -8.037 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.101 -3.722 -7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.672 -4.322 -9.353 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.008 -4.145 -9.819 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.339 -6.584 -9.132 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.403 -6.693 -8.973 1.00 0.00 H new ATOM 169 N VAL A 13 -1.342 -6.091 -6.275 1.00 0.00 N ATOM 170 CA VAL A 13 -1.255 -7.251 -5.433 1.00 0.00 C ATOM 171 C VAL A 13 -2.181 -8.331 -5.943 1.00 0.00 C ATOM 172 O VAL A 13 -3.404 -8.208 -5.898 1.00 0.00 O ATOM 173 CB VAL A 13 -1.590 -6.868 -3.973 1.00 0.00 C ATOM 174 CG1 VAL A 13 -1.019 -5.495 -3.636 1.00 0.00 C ATOM 175 CG2 VAL A 13 -3.089 -6.892 -3.698 1.00 0.00 C ATOM 0 H VAL A 13 -2.278 -5.708 -6.405 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.237 -7.641 -5.456 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.127 -7.619 -3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.265 -5.242 -2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.064 -5.512 -3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.448 -4.749 -4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.273 -6.616 -2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.591 -6.183 -4.356 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.477 -7.894 -3.881 1.00 0.00 H new ATOM 185 N GLU A 14 -1.590 -9.382 -6.469 1.00 0.00 N ATOM 186 CA GLU A 14 -2.364 -10.452 -7.012 1.00 0.00 C ATOM 187 C GLU A 14 -2.189 -11.777 -6.272 1.00 0.00 C ATOM 188 O GLU A 14 -1.080 -12.295 -6.157 1.00 0.00 O ATOM 189 CB GLU A 14 -1.977 -10.674 -8.436 1.00 0.00 C ATOM 190 CG GLU A 14 -0.584 -11.245 -8.610 1.00 0.00 C ATOM 191 CD GLU A 14 -0.082 -11.145 -10.038 1.00 0.00 C ATOM 192 OE1 GLU A 14 -0.669 -11.804 -10.921 1.00 0.00 O ATOM 193 OE2 GLU A 14 0.899 -10.407 -10.271 1.00 0.00 O ATOM 0 H GLU A 14 -0.580 -9.509 -6.527 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.406 -10.149 -6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.697 -11.350 -8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.041 -9.727 -8.972 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.105 -10.718 -7.950 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.584 -12.291 -8.302 1.00 0.00 H new ATOM 200 N LEU A 15 -3.300 -12.340 -5.875 1.00 0.00 N ATOM 201 CA LEU A 15 -3.367 -13.651 -5.230 1.00 0.00 C ATOM 202 C LEU A 15 -4.628 -14.372 -5.664 1.00 0.00 C ATOM 203 O LEU A 15 -5.656 -13.745 -5.912 1.00 0.00 O ATOM 204 CB LEU A 15 -3.322 -13.558 -3.701 1.00 0.00 C ATOM 205 CG LEU A 15 -2.033 -14.111 -3.109 1.00 0.00 C ATOM 206 CD1 LEU A 15 -1.962 -15.621 -3.294 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.863 -13.424 -3.780 1.00 0.00 C ATOM 0 H LEU A 15 -4.213 -11.899 -5.988 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.487 -14.211 -5.545 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.435 -12.516 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.169 -14.102 -3.284 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.003 -13.915 -2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.033 -15.997 -2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.809 -16.089 -2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.992 -15.859 -4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.070 -13.808 -3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.893 -13.618 -4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.922 -12.350 -3.604 1.00 0.00 H new ATOM 219 N ALA A 16 -4.552 -15.690 -5.740 1.00 0.00 N ATOM 220 CA ALA A 16 -5.688 -16.490 -6.123 1.00 0.00 C ATOM 221 C ALA A 16 -6.177 -17.228 -4.906 1.00 0.00 C ATOM 222 O ALA A 16 -5.395 -17.926 -4.266 1.00 0.00 O ATOM 223 CB ALA A 16 -5.285 -17.456 -7.218 1.00 0.00 C ATOM 0 H ALA A 16 -3.707 -16.225 -5.539 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.489 -15.860 -6.509 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.146 -18.060 -7.506 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.928 -16.897 -8.083 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.490 -18.107 -6.854 1.00 0.00 H new ATOM 229 N LYS A 17 -7.451 -17.062 -4.559 1.00 0.00 N ATOM 230 CA LYS A 17 -7.975 -17.731 -3.368 1.00 0.00 C ATOM 231 C LYS A 17 -7.451 -19.155 -3.290 1.00 0.00 C ATOM 232 O LYS A 17 -8.032 -20.083 -3.853 1.00 0.00 O ATOM 233 CB LYS A 17 -9.496 -17.747 -3.320 1.00 0.00 C ATOM 234 CG LYS A 17 -10.018 -18.534 -2.131 1.00 0.00 C ATOM 235 CD LYS A 17 -10.831 -19.743 -2.569 1.00 0.00 C ATOM 236 CE LYS A 17 -11.426 -20.475 -1.377 1.00 0.00 C ATOM 237 NZ LYS A 17 -12.195 -19.559 -0.490 1.00 0.00 N ATOM 0 H LYS A 17 -8.124 -16.488 -5.067 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.627 -17.155 -2.510 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.868 -16.724 -3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.884 -18.182 -4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.180 -18.862 -1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.636 -17.886 -1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.631 -19.423 -3.237 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.196 -20.424 -3.136 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.080 -21.272 -1.730 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.627 -20.948 -0.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.825 -20.116 0.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.536 -19.012 0.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.762 -18.909 -1.071 1.00 0.00 H new ATOM 251 N ASN A 18 -6.333 -19.305 -2.607 1.00 0.00 N ATOM 252 CA ASN A 18 -5.698 -20.618 -2.472 1.00 0.00 C ATOM 253 C ASN A 18 -5.224 -20.879 -1.048 1.00 0.00 C ATOM 254 O ASN A 18 -5.634 -21.851 -0.415 1.00 0.00 O ATOM 255 CB ASN A 18 -4.518 -20.734 -3.438 1.00 0.00 C ATOM 256 CG ASN A 18 -4.047 -22.166 -3.606 1.00 0.00 C ATOM 257 OD1 ASN A 18 -4.335 -23.027 -2.777 1.00 0.00 O ATOM 258 ND2 ASN A 18 -3.316 -22.425 -4.684 1.00 0.00 N ATOM 0 H ASN A 18 -5.842 -18.545 -2.137 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.449 -21.369 -2.716 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.807 -20.333 -4.410 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.692 -20.123 -3.074 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.969 -23.370 -4.850 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.101 -21.679 -5.346 1.00 0.00 H new ATOM 265 N ASP A 19 -4.371 -19.999 -0.549 1.00 0.00 N ATOM 266 CA ASP A 19 -3.849 -20.120 0.805 1.00 0.00 C ATOM 267 C ASP A 19 -4.177 -18.858 1.556 1.00 0.00 C ATOM 268 O ASP A 19 -4.528 -18.871 2.736 1.00 0.00 O ATOM 269 CB ASP A 19 -2.338 -20.363 0.791 1.00 0.00 C ATOM 270 CG ASP A 19 -1.980 -21.741 0.269 1.00 0.00 C ATOM 271 OD1 ASP A 19 -2.003 -21.932 -0.965 1.00 0.00 O ATOM 272 OD2 ASP A 19 -1.677 -22.627 1.094 1.00 0.00 O ATOM 0 H ASP A 19 -4.023 -19.189 -1.063 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.310 -20.976 1.298 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.857 -19.606 0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.944 -20.246 1.801 1.00 0.00 H new ATOM 277 N ASN A 20 -4.100 -17.780 0.816 1.00 0.00 N ATOM 278 CA ASN A 20 -4.417 -16.468 1.299 1.00 0.00 C ATOM 279 C ASN A 20 -4.556 -15.558 0.108 1.00 0.00 C ATOM 280 O ASN A 20 -4.003 -15.834 -0.957 1.00 0.00 O ATOM 281 CB ASN A 20 -3.352 -15.928 2.248 1.00 0.00 C ATOM 282 CG ASN A 20 -3.338 -16.652 3.581 1.00 0.00 C ATOM 283 OD1 ASN A 20 -4.331 -16.658 4.308 1.00 0.00 O ATOM 284 ND2 ASN A 20 -2.206 -17.265 3.909 1.00 0.00 N ATOM 0 H ASN A 20 -3.808 -17.796 -0.161 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.346 -16.517 1.867 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.372 -16.019 1.779 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.527 -14.865 2.417 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.136 -17.767 4.794 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.407 -17.234 3.275 1.00 0.00 H new ATOM 291 N SER A 21 -5.293 -14.487 0.266 1.00 0.00 N ATOM 292 CA SER A 21 -5.486 -13.572 -0.832 1.00 0.00 C ATOM 293 C SER A 21 -6.115 -12.304 -0.289 1.00 0.00 C ATOM 294 O SER A 21 -6.976 -11.682 -0.911 1.00 0.00 O ATOM 295 CB SER A 21 -6.358 -14.244 -1.904 1.00 0.00 C ATOM 296 OG SER A 21 -6.254 -13.570 -3.147 1.00 0.00 O ATOM 0 H SER A 21 -5.764 -14.229 1.133 1.00 0.00 H new ATOM 0 HA SER A 21 -4.539 -13.309 -1.303 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.054 -15.284 -2.025 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.398 -14.252 -1.578 1.00 0.00 H new ATOM 0 HG SER A 21 -7.112 -13.618 -3.618 1.00 0.00 H new ATOM 302 N LEU A 22 -5.676 -11.975 0.918 1.00 0.00 N ATOM 303 CA LEU A 22 -6.159 -10.835 1.668 1.00 0.00 C ATOM 304 C LEU A 22 -5.694 -10.982 3.104 1.00 0.00 C ATOM 305 O LEU A 22 -5.104 -11.994 3.459 1.00 0.00 O ATOM 306 CB LEU A 22 -7.665 -10.862 1.757 1.00 0.00 C ATOM 307 CG LEU A 22 -8.094 -11.512 3.070 1.00 0.00 C ATOM 308 CD1 LEU A 22 -9.005 -10.588 3.864 1.00 0.00 C ATOM 309 CD2 LEU A 22 -8.757 -12.859 2.823 1.00 0.00 C ATOM 0 H LEU A 22 -4.958 -12.508 1.409 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.800 -9.930 1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.060 -9.848 1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.078 -11.416 0.914 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.198 -11.688 3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.296 -11.075 4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.477 -9.662 4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.896 -10.364 3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.052 -13.299 3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.639 -12.721 2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.055 -13.523 2.319 1.00 0.00 H new ATOM 321 N GLY A 23 -6.045 -10.019 3.940 1.00 0.00 N ATOM 322 CA GLY A 23 -5.719 -10.102 5.348 1.00 0.00 C ATOM 323 C GLY A 23 -5.426 -8.749 5.910 1.00 0.00 C ATOM 324 O GLY A 23 -4.539 -8.580 6.731 1.00 0.00 O ATOM 0 H GLY A 23 -6.552 -9.177 3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.549 -10.553 5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.856 -10.752 5.487 1.00 0.00 H new ATOM 328 N ILE A 24 -6.164 -7.773 5.444 1.00 0.00 N ATOM 329 CA ILE A 24 -5.946 -6.414 5.887 1.00 0.00 C ATOM 330 C ILE A 24 -7.155 -5.825 6.582 1.00 0.00 C ATOM 331 O ILE A 24 -8.298 -6.163 6.275 1.00 0.00 O ATOM 332 CB ILE A 24 -5.542 -5.519 4.706 1.00 0.00 C ATOM 333 CG1 ILE A 24 -6.712 -5.358 3.727 1.00 0.00 C ATOM 334 CG2 ILE A 24 -4.328 -6.130 3.991 1.00 0.00 C ATOM 335 CD1 ILE A 24 -7.088 -3.916 3.469 1.00 0.00 C ATOM 0 H ILE A 24 -6.915 -7.889 4.764 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.135 -6.452 6.615 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.277 -4.532 5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.452 -5.832 2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.580 -5.887 4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.042 -5.495 3.153 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.495 -6.207 4.690 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.585 -7.123 3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.922 -3.877 2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.380 -3.443 4.407 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.234 -3.387 3.046 1.00 0.00 H new ATOM 347 N SER A 25 -6.885 -4.912 7.502 1.00 0.00 N ATOM 348 CA SER A 25 -7.920 -4.239 8.224 1.00 0.00 C ATOM 349 C SER A 25 -8.104 -2.862 7.625 1.00 0.00 C ATOM 350 O SER A 25 -7.194 -2.035 7.661 1.00 0.00 O ATOM 351 CB SER A 25 -7.598 -4.153 9.717 1.00 0.00 C ATOM 352 OG SER A 25 -8.782 -4.068 10.491 1.00 0.00 O ATOM 0 H SER A 25 -5.940 -4.627 7.759 1.00 0.00 H new ATOM 0 HA SER A 25 -8.848 -4.805 8.138 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.024 -5.029 10.019 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.972 -3.281 9.907 1.00 0.00 H new ATOM 0 HG SER A 25 -8.549 -4.016 11.441 1.00 0.00 H new ATOM 358 N VAL A 26 -9.261 -2.632 7.033 1.00 0.00 N ATOM 359 CA VAL A 26 -9.527 -1.367 6.380 1.00 0.00 C ATOM 360 C VAL A 26 -10.360 -0.447 7.261 1.00 0.00 C ATOM 361 O VAL A 26 -11.029 -0.897 8.191 1.00 0.00 O ATOM 362 CB VAL A 26 -10.242 -1.581 5.032 1.00 0.00 C ATOM 363 CG1 VAL A 26 -11.603 -2.227 5.241 1.00 0.00 C ATOM 364 CG2 VAL A 26 -10.376 -0.268 4.283 1.00 0.00 C ATOM 0 H VAL A 26 -10.028 -3.303 6.992 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.563 -0.892 6.200 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.637 -2.256 4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.090 -2.369 4.276 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.476 -3.193 5.729 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.219 -1.582 5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.883 -0.441 3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.955 0.435 4.882 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.386 0.146 4.095 1.00 0.00 H new ATOM 374 N THR A 27 -10.275 0.854 6.982 1.00 0.00 N ATOM 375 CA THR A 27 -10.979 1.873 7.763 1.00 0.00 C ATOM 376 C THR A 27 -10.206 2.152 9.050 1.00 0.00 C ATOM 377 O THR A 27 -10.614 2.974 9.872 1.00 0.00 O ATOM 378 CB THR A 27 -12.421 1.455 8.094 1.00 0.00 C ATOM 379 OG1 THR A 27 -12.472 0.715 9.302 1.00 0.00 O ATOM 380 CG2 THR A 27 -13.083 0.618 7.016 1.00 0.00 C ATOM 0 H THR A 27 -9.720 1.230 6.213 1.00 0.00 H new ATOM 0 HA THR A 27 -11.036 2.778 7.158 1.00 0.00 H new ATOM 0 HB THR A 27 -12.967 2.395 8.180 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.774 0.028 9.294 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.097 0.364 7.324 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.118 1.185 6.086 1.00 0.00 H new ATOM 0 HG23 THR A 27 -12.510 -0.297 6.862 1.00 0.00 H new ATOM 388 N VAL A 28 -9.084 1.452 9.209 1.00 0.00 N ATOM 389 CA VAL A 28 -8.233 1.591 10.374 1.00 0.00 C ATOM 390 C VAL A 28 -7.429 2.883 10.322 1.00 0.00 C ATOM 391 O VAL A 28 -7.309 3.584 11.327 1.00 0.00 O ATOM 392 CB VAL A 28 -7.275 0.398 10.462 1.00 0.00 C ATOM 393 CG1 VAL A 28 -8.061 -0.901 10.488 1.00 0.00 C ATOM 394 CG2 VAL A 28 -6.318 0.406 9.285 1.00 0.00 C ATOM 0 H VAL A 28 -8.745 0.773 8.528 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.873 1.620 11.256 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.697 0.479 11.383 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.371 -1.743 10.551 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.722 -0.909 11.354 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.655 -0.985 9.578 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.643 -0.446 9.359 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.884 0.341 8.356 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.739 1.329 9.293 1.00 0.00 H new ATOM 404 N LEU A 29 -6.901 3.218 9.143 1.00 0.00 N ATOM 405 CA LEU A 29 -6.152 4.440 8.984 1.00 0.00 C ATOM 406 C LEU A 29 -6.942 5.379 8.116 1.00 0.00 C ATOM 407 O LEU A 29 -6.659 6.573 8.019 1.00 0.00 O ATOM 408 CB LEU A 29 -4.773 4.177 8.377 1.00 0.00 C ATOM 409 CG LEU A 29 -3.971 3.047 9.023 1.00 0.00 C ATOM 410 CD1 LEU A 29 -2.489 3.211 8.724 1.00 0.00 C ATOM 411 CD2 LEU A 29 -4.204 3.005 10.528 1.00 0.00 C ATOM 0 H LEU A 29 -6.984 2.656 8.296 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.989 4.888 9.964 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.899 3.950 7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.188 5.095 8.438 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.313 2.103 8.598 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.932 2.399 9.191 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.331 3.187 7.646 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.141 4.165 9.121 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.622 2.193 10.964 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.894 3.951 10.971 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.263 2.841 10.728 1.00 0.00 H new ATOM 423 N PHE A 30 -7.943 4.804 7.489 1.00 0.00 N ATOM 424 CA PHE A 30 -8.818 5.526 6.617 1.00 0.00 C ATOM 425 C PHE A 30 -10.272 5.340 7.049 1.00 0.00 C ATOM 426 O PHE A 30 -10.544 4.871 8.155 1.00 0.00 O ATOM 427 CB PHE A 30 -8.627 5.018 5.199 1.00 0.00 C ATOM 428 CG PHE A 30 -8.758 5.974 4.189 1.00 0.00 C ATOM 429 CD1 PHE A 30 -9.044 7.297 4.378 1.00 0.00 C ATOM 430 CD2 PHE A 30 -8.485 5.495 3.003 1.00 0.00 C ATOM 431 CE1 PHE A 30 -9.039 8.119 3.299 1.00 0.00 C ATOM 432 CE2 PHE A 30 -8.482 6.244 1.962 1.00 0.00 C ATOM 433 CZ PHE A 30 -8.752 7.585 2.062 1.00 0.00 C ATOM 0 H PHE A 30 -8.168 3.813 7.576 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.581 6.589 6.663 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.636 4.571 5.124 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.350 4.223 5.017 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.269 7.679 5.363 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.257 4.445 2.898 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.256 9.171 3.408 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.264 5.814 0.996 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.740 8.213 1.184 1.00 0.00 H new ATOM 443 N ASP A 31 -11.201 5.691 6.167 1.00 0.00 N ATOM 444 CA ASP A 31 -12.621 5.543 6.453 1.00 0.00 C ATOM 445 C ASP A 31 -13.165 4.273 5.804 1.00 0.00 C ATOM 446 O ASP A 31 -14.204 3.751 6.209 1.00 0.00 O ATOM 447 CB ASP A 31 -13.396 6.764 5.953 1.00 0.00 C ATOM 448 CG ASP A 31 -13.253 7.957 6.877 1.00 0.00 C ATOM 449 OD1 ASP A 31 -12.105 8.298 7.233 1.00 0.00 O ATOM 450 OD2 ASP A 31 -14.289 8.551 7.244 1.00 0.00 O ATOM 0 H ASP A 31 -10.995 6.080 5.247 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.749 5.466 7.533 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.041 7.034 4.958 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.451 6.507 5.856 1.00 0.00 H new ATOM 455 N LYS A 32 -12.448 3.775 4.797 1.00 0.00 N ATOM 456 CA LYS A 32 -12.846 2.564 4.091 1.00 0.00 C ATOM 457 C LYS A 32 -11.771 2.145 3.093 1.00 0.00 C ATOM 458 O LYS A 32 -12.085 1.656 2.007 1.00 0.00 O ATOM 459 CB LYS A 32 -14.180 2.779 3.364 1.00 0.00 C ATOM 460 CG LYS A 32 -14.068 3.602 2.085 1.00 0.00 C ATOM 461 CD LYS A 32 -14.870 4.890 2.177 1.00 0.00 C ATOM 462 CE LYS A 32 -14.262 5.851 3.185 1.00 0.00 C ATOM 463 NZ LYS A 32 -14.166 7.236 2.644 1.00 0.00 N ATOM 0 H LYS A 32 -11.585 4.196 4.453 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.970 1.769 4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.610 1.807 3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.875 3.274 4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.021 3.837 1.894 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -14.422 3.012 1.240 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.911 5.366 1.197 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -15.897 4.661 2.463 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.867 5.857 4.092 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.269 5.501 3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.247 7.920 3.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.250 7.360 2.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.935 7.396 1.962 1.00 0.00 H new ATOM 477 N GLY A 33 -10.504 2.349 3.452 1.00 0.00 N ATOM 478 CA GLY A 33 -9.427 1.991 2.546 1.00 0.00 C ATOM 479 C GLY A 33 -9.606 2.687 1.200 1.00 0.00 C ATOM 480 O GLY A 33 -9.305 3.867 1.063 1.00 0.00 O ATOM 0 H GLY A 33 -10.208 2.750 4.342 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.468 2.272 2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.408 0.911 2.403 1.00 0.00 H new ATOM 484 N GLY A 34 -10.126 1.958 0.210 1.00 0.00 N ATOM 485 CA GLY A 34 -10.354 2.542 -1.107 1.00 0.00 C ATOM 486 C GLY A 34 -11.210 3.795 -1.042 1.00 0.00 C ATOM 487 O GLY A 34 -11.909 4.007 -0.051 1.00 0.00 O ATOM 0 H GLY A 34 -10.393 0.977 0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.395 2.783 -1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.839 1.807 -1.749 1.00 0.00 H new ATOM 491 N VAL A 35 -11.133 4.641 -2.081 1.00 0.00 N ATOM 492 CA VAL A 35 -11.868 5.895 -2.141 1.00 0.00 C ATOM 493 C VAL A 35 -11.126 6.786 -3.109 1.00 0.00 C ATOM 494 O VAL A 35 -10.261 6.306 -3.832 1.00 0.00 O ATOM 495 CB VAL A 35 -11.913 6.558 -0.748 1.00 0.00 C ATOM 496 CG1 VAL A 35 -10.500 6.738 -0.199 1.00 0.00 C ATOM 497 CG2 VAL A 35 -12.723 7.852 -0.724 1.00 0.00 C ATOM 0 H VAL A 35 -10.554 4.465 -2.902 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.896 5.728 -2.463 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.449 5.881 -0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.549 7.207 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.016 5.765 -0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.925 7.371 -0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.715 8.268 0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.283 8.570 -1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.750 7.644 -1.023 1.00 0.00 H new ATOM 604 N GLY A 42 -7.964 7.570 -6.826 1.00 0.00 N ATOM 605 CA GLY A 42 -8.585 6.901 -5.719 1.00 0.00 C ATOM 606 C GLY A 42 -7.767 7.086 -4.466 1.00 0.00 C ATOM 607 O GLY A 42 -7.667 8.192 -3.937 1.00 0.00 O ATOM 0 HA2 GLY A 42 -9.590 7.294 -5.566 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.688 5.839 -5.940 1.00 0.00 H new ATOM 611 N GLY A 43 -7.122 6.019 -4.028 1.00 0.00 N ATOM 612 CA GLY A 43 -6.255 6.131 -2.872 1.00 0.00 C ATOM 613 C GLY A 43 -6.690 5.399 -1.608 1.00 0.00 C ATOM 614 O GLY A 43 -7.285 6.000 -0.717 1.00 0.00 O ATOM 0 H GLY A 43 -7.180 5.089 -4.443 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.267 5.765 -3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.147 7.188 -2.631 1.00 0.00 H new ATOM 618 N ILE A 44 -6.354 4.112 -1.516 1.00 0.00 N ATOM 619 CA ILE A 44 -6.668 3.298 -0.337 1.00 0.00 C ATOM 620 C ILE A 44 -5.692 3.540 0.804 1.00 0.00 C ATOM 621 O ILE A 44 -4.478 3.472 0.633 1.00 0.00 O ATOM 622 CB ILE A 44 -6.622 1.785 -0.628 1.00 0.00 C ATOM 623 CG1 ILE A 44 -7.097 0.977 0.582 1.00 0.00 C ATOM 624 CG2 ILE A 44 -5.205 1.350 -0.995 1.00 0.00 C ATOM 625 CD1 ILE A 44 -8.135 -0.069 0.239 1.00 0.00 C ATOM 0 H ILE A 44 -5.860 3.605 -2.250 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.677 3.603 -0.061 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.290 1.593 -1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.238 0.488 1.042 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.511 1.659 1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.194 0.279 -1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.877 1.890 -1.883 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.531 1.570 -0.167 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.426 -0.603 1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.010 0.415 -0.194 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.718 -0.774 -0.480 1.00 0.00 H new ATOM 637 N TYR A 45 -6.246 3.726 1.979 1.00 0.00 N ATOM 638 CA TYR A 45 -5.450 3.883 3.190 1.00 0.00 C ATOM 639 C TYR A 45 -5.886 2.836 4.193 1.00 0.00 C ATOM 640 O TYR A 45 -7.063 2.497 4.265 1.00 0.00 O ATOM 641 CB TYR A 45 -5.507 5.286 3.766 1.00 0.00 C ATOM 642 CG TYR A 45 -4.992 6.358 2.861 1.00 0.00 C ATOM 643 CD1 TYR A 45 -5.518 6.533 1.597 1.00 0.00 C ATOM 644 CD2 TYR A 45 -3.995 7.215 3.287 1.00 0.00 C ATOM 645 CE1 TYR A 45 -5.064 7.532 0.776 1.00 0.00 C ATOM 646 CE2 TYR A 45 -3.535 8.221 2.474 1.00 0.00 C ATOM 647 CZ TYR A 45 -4.070 8.380 1.215 1.00 0.00 C ATOM 648 OH TYR A 45 -3.613 9.386 0.396 1.00 0.00 O ATOM 0 H TYR A 45 -7.254 3.774 2.130 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.401 3.732 2.936 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.541 5.515 4.025 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.934 5.306 4.693 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.299 5.873 1.250 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.572 7.092 4.273 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.484 7.654 -0.212 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.757 8.885 2.820 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.614 10.234 0.887 1.00 0.00 H new ATOM 658 N VAL A 46 -4.930 2.223 4.876 1.00 0.00 N ATOM 659 CA VAL A 46 -5.270 1.113 5.731 1.00 0.00 C ATOM 660 C VAL A 46 -4.201 0.739 6.762 1.00 0.00 C ATOM 661 O VAL A 46 -3.159 1.383 6.850 1.00 0.00 O ATOM 662 CB VAL A 46 -5.416 -0.047 4.762 1.00 0.00 C ATOM 663 CG1 VAL A 46 -4.065 -0.631 4.434 1.00 0.00 C ATOM 664 CG2 VAL A 46 -6.417 -1.051 5.281 1.00 0.00 C ATOM 0 H VAL A 46 -3.941 2.472 4.853 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.153 1.364 6.319 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.823 0.310 3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.187 -1.461 3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.438 0.135 3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.592 -0.990 5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.507 -1.874 4.572 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.081 -1.436 6.244 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.387 -0.569 5.402 1.00 0.00 H new ATOM 674 N LYS A 47 -4.433 -0.389 7.472 1.00 0.00 N ATOM 675 CA LYS A 47 -3.430 -0.918 8.410 1.00 0.00 C ATOM 676 C LYS A 47 -2.579 -1.868 7.596 1.00 0.00 C ATOM 677 O LYS A 47 -1.445 -2.208 7.936 1.00 0.00 O ATOM 678 CB LYS A 47 -4.044 -1.659 9.609 1.00 0.00 C ATOM 679 CG LYS A 47 -4.567 -3.052 9.283 1.00 0.00 C ATOM 680 CD LYS A 47 -4.745 -3.887 10.542 1.00 0.00 C ATOM 681 CE LYS A 47 -3.432 -4.056 11.290 1.00 0.00 C ATOM 682 NZ LYS A 47 -3.304 -5.414 11.887 1.00 0.00 N ATOM 0 H LYS A 47 -5.291 -0.938 7.412 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.862 -0.095 8.844 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.293 -1.740 10.395 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.862 -1.061 10.011 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.520 -2.971 8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.874 -3.553 8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.478 -3.412 11.194 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.142 -4.867 10.277 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.600 -3.879 10.608 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.363 -3.305 12.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.396 -5.489 12.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.083 -5.573 12.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.344 -6.130 11.133 1.00 0.00 H new ATOM 696 N ALA A 48 -3.171 -2.224 6.464 1.00 0.00 N ATOM 697 CA ALA A 48 -2.612 -3.039 5.469 1.00 0.00 C ATOM 698 C ALA A 48 -2.692 -4.515 5.816 1.00 0.00 C ATOM 699 O ALA A 48 -3.712 -4.975 6.308 1.00 0.00 O ATOM 700 CB ALA A 48 -1.245 -2.532 5.213 1.00 0.00 C ATOM 0 H ALA A 48 -4.115 -1.915 6.230 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.184 -2.980 4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.770 -3.139 4.442 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.298 -1.496 4.878 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.659 -2.587 6.130 1.00 0.00 H new ATOM 706 N VAL A 49 -1.661 -5.270 5.495 1.00 0.00 N ATOM 707 CA VAL A 49 -1.693 -6.691 5.679 1.00 0.00 C ATOM 708 C VAL A 49 -1.499 -7.224 7.074 1.00 0.00 C ATOM 709 O VAL A 49 -0.632 -6.807 7.843 1.00 0.00 O ATOM 710 CB VAL A 49 -0.658 -7.328 4.798 1.00 0.00 C ATOM 711 CG1 VAL A 49 -1.132 -7.284 3.373 1.00 0.00 C ATOM 712 CG2 VAL A 49 0.685 -6.657 4.981 1.00 0.00 C ATOM 0 H VAL A 49 -0.790 -4.912 5.104 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.720 -6.951 5.421 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.522 -8.373 5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.385 -7.745 2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.073 -7.827 3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.282 -6.247 3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.421 -7.134 4.334 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.603 -5.602 4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.000 -6.752 6.020 1.00 0.00 H new ATOM 722 N ILE A 50 -2.339 -8.216 7.325 1.00 0.00 N ATOM 723 CA ILE A 50 -2.373 -8.974 8.558 1.00 0.00 C ATOM 724 C ILE A 50 -0.960 -9.297 9.038 1.00 0.00 C ATOM 725 O ILE A 50 -0.007 -9.235 8.260 1.00 0.00 O ATOM 726 CB ILE A 50 -3.156 -10.298 8.318 1.00 0.00 C ATOM 727 CG1 ILE A 50 -4.041 -10.637 9.518 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.222 -11.451 7.988 1.00 0.00 C ATOM 729 CD1 ILE A 50 -5.429 -11.102 9.133 1.00 0.00 C ATOM 0 H ILE A 50 -3.039 -8.523 6.650 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.867 -8.377 9.324 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.801 -10.143 7.453 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.557 -11.415 10.108 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.125 -9.758 10.157 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.806 -12.357 7.827 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.660 -11.216 7.084 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.530 -11.607 8.816 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.001 -11.325 10.034 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.932 -10.317 8.569 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.355 -12.000 8.519 1.00 0.00 H new ATOM 741 N PRO A 51 -0.802 -9.659 10.315 1.00 0.00 N ATOM 742 CA PRO A 51 0.497 -10.003 10.871 1.00 0.00 C ATOM 743 C PRO A 51 0.929 -11.407 10.512 1.00 0.00 C ATOM 744 O PRO A 51 2.115 -11.734 10.478 1.00 0.00 O ATOM 745 CB PRO A 51 0.297 -9.882 12.387 1.00 0.00 C ATOM 746 CG PRO A 51 -1.120 -9.436 12.589 1.00 0.00 C ATOM 747 CD PRO A 51 -1.856 -9.767 11.323 1.00 0.00 C ATOM 0 HA PRO A 51 1.280 -9.353 10.480 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.478 -10.837 12.881 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.996 -9.164 12.815 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.569 -9.944 13.443 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.164 -8.367 12.795 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.289 -10.767 11.354 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.673 -9.071 11.133 1.00 0.00 H new ATOM 755 N GLN A 52 -0.057 -12.221 10.269 1.00 0.00 N ATOM 756 CA GLN A 52 0.154 -13.623 9.926 1.00 0.00 C ATOM 757 C GLN A 52 0.250 -13.854 8.420 1.00 0.00 C ATOM 758 O GLN A 52 0.130 -14.986 7.954 1.00 0.00 O ATOM 759 CB GLN A 52 -0.956 -14.492 10.519 1.00 0.00 C ATOM 760 CG GLN A 52 -2.334 -14.187 9.955 1.00 0.00 C ATOM 761 CD GLN A 52 -3.426 -15.015 10.604 1.00 0.00 C ATOM 762 OE1 GLN A 52 -3.744 -16.112 10.146 1.00 0.00 O ATOM 763 NE2 GLN A 52 -4.007 -14.492 11.677 1.00 0.00 N ATOM 0 H GLN A 52 -1.038 -11.944 10.300 1.00 0.00 H new ATOM 0 HA GLN A 52 1.113 -13.910 10.358 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.722 -15.541 10.336 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.976 -14.354 11.600 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.554 -13.129 10.095 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.332 -14.373 8.881 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.712 -13.579 12.023 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.749 -15.003 12.156 1.00 0.00 H new ATOM 772 N GLY A 53 0.493 -12.791 7.668 1.00 0.00 N ATOM 773 CA GLY A 53 0.628 -12.928 6.228 1.00 0.00 C ATOM 774 C GLY A 53 -0.632 -12.565 5.466 1.00 0.00 C ATOM 775 O GLY A 53 -0.870 -11.399 5.167 1.00 0.00 O ATOM 0 H GLY A 53 0.599 -11.841 8.024 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.446 -12.294 5.886 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.902 -13.956 5.993 1.00 0.00 H new ATOM 779 N ALA A 54 -1.449 -13.569 5.166 1.00 0.00 N ATOM 780 CA ALA A 54 -2.697 -13.374 4.446 1.00 0.00 C ATOM 781 C ALA A 54 -2.568 -12.344 3.305 1.00 0.00 C ATOM 782 O ALA A 54 -1.917 -12.635 2.304 1.00 0.00 O ATOM 783 CB ALA A 54 -3.773 -13.031 5.442 1.00 0.00 C ATOM 0 H ALA A 54 -1.262 -14.540 5.416 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.973 -14.299 3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.718 -12.881 4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.880 -13.846 6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.502 -12.117 5.971 1.00 0.00 H new ATOM 789 N ALA A 55 -3.165 -11.145 3.434 1.00 0.00 N ATOM 790 CA ALA A 55 -3.055 -10.138 2.379 1.00 0.00 C ATOM 791 C ALA A 55 -1.595 -9.921 2.071 1.00 0.00 C ATOM 792 O ALA A 55 -1.186 -9.705 0.937 1.00 0.00 O ATOM 793 CB ALA A 55 -3.717 -8.837 2.784 1.00 0.00 C ATOM 0 H ALA A 55 -3.716 -10.859 4.243 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.573 -10.495 1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.617 -8.111 1.977 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.774 -9.013 2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.237 -8.449 3.683 1.00 0.00 H new ATOM 799 N GLU A 56 -0.826 -10.002 3.131 1.00 0.00 N ATOM 800 CA GLU A 56 0.620 -9.847 3.073 1.00 0.00 C ATOM 801 C GLU A 56 1.192 -10.867 2.088 1.00 0.00 C ATOM 802 O GLU A 56 2.165 -10.603 1.380 1.00 0.00 O ATOM 803 CB GLU A 56 1.196 -10.027 4.473 1.00 0.00 C ATOM 804 CG GLU A 56 2.545 -9.357 4.675 1.00 0.00 C ATOM 805 CD GLU A 56 3.691 -10.350 4.704 1.00 0.00 C ATOM 806 OE1 GLU A 56 4.114 -10.801 3.619 1.00 0.00 O ATOM 807 OE2 GLU A 56 4.166 -10.677 5.813 1.00 0.00 O ATOM 0 H GLU A 56 -1.184 -10.179 4.070 1.00 0.00 H new ATOM 0 HA GLU A 56 0.890 -8.851 2.722 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.490 -9.626 5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.296 -11.093 4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.713 -8.638 3.874 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.532 -8.796 5.609 1.00 0.00 H new ATOM 814 N SER A 57 0.514 -12.006 2.010 1.00 0.00 N ATOM 815 CA SER A 57 0.847 -13.072 1.076 1.00 0.00 C ATOM 816 C SER A 57 0.305 -12.641 -0.262 1.00 0.00 C ATOM 817 O SER A 57 0.978 -12.733 -1.287 1.00 0.00 O ATOM 818 CB SER A 57 0.226 -14.402 1.513 1.00 0.00 C ATOM 819 OG SER A 57 0.853 -15.494 0.863 1.00 0.00 O ATOM 0 H SER A 57 -0.291 -12.217 2.600 1.00 0.00 H new ATOM 0 HA SER A 57 1.924 -13.234 1.034 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.321 -14.514 2.593 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.840 -14.402 1.285 1.00 0.00 H new ATOM 0 HG SER A 57 0.440 -16.332 1.160 1.00 0.00 H new ATOM 825 N ASP A 58 -0.894 -12.051 -0.208 1.00 0.00 N ATOM 826 CA ASP A 58 -1.508 -11.467 -1.380 1.00 0.00 C ATOM 827 C ASP A 58 -0.554 -10.396 -1.864 1.00 0.00 C ATOM 828 O ASP A 58 -0.563 -10.002 -3.029 1.00 0.00 O ATOM 829 CB ASP A 58 -2.874 -10.870 -1.030 1.00 0.00 C ATOM 830 CG ASP A 58 -3.405 -9.930 -2.088 1.00 0.00 C ATOM 831 OD1 ASP A 58 -3.061 -10.110 -3.275 1.00 0.00 O ATOM 832 OD2 ASP A 58 -4.168 -9.011 -1.725 1.00 0.00 O ATOM 0 H ASP A 58 -1.451 -11.971 0.643 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.683 -12.214 -2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.589 -11.679 -0.881 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.797 -10.334 -0.084 1.00 0.00 H new ATOM 837 N GLY A 59 0.273 -9.926 -0.923 1.00 0.00 N ATOM 838 CA GLY A 59 1.232 -8.895 -1.246 1.00 0.00 C ATOM 839 C GLY A 59 0.546 -7.582 -1.435 1.00 0.00 C ATOM 840 O GLY A 59 0.768 -6.899 -2.425 1.00 0.00 O ATOM 0 H GLY A 59 0.289 -10.243 0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.970 -8.814 -0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.772 -9.164 -2.154 1.00 0.00 H new ATOM 844 N ARG A 60 -0.284 -7.234 -0.462 1.00 0.00 N ATOM 845 CA ARG A 60 -1.030 -5.990 -0.485 1.00 0.00 C ATOM 846 C ARG A 60 -0.594 -5.160 0.691 1.00 0.00 C ATOM 847 O ARG A 60 -1.392 -4.787 1.551 1.00 0.00 O ATOM 848 CB ARG A 60 -2.534 -6.275 -0.426 1.00 0.00 C ATOM 849 CG ARG A 60 -3.398 -5.028 -0.547 1.00 0.00 C ATOM 850 CD ARG A 60 -4.075 -4.682 0.772 1.00 0.00 C ATOM 851 NE ARG A 60 -3.680 -3.363 1.261 1.00 0.00 N ATOM 852 CZ ARG A 60 -4.212 -2.222 0.829 1.00 0.00 C ATOM 853 NH1 ARG A 60 -5.157 -2.233 -0.104 1.00 0.00 N ATOM 854 NH2 ARG A 60 -3.796 -1.067 1.329 1.00 0.00 N ATOM 0 H ARG A 60 -0.457 -7.807 0.364 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.834 -5.447 -1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.795 -6.967 -1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.763 -6.775 0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.783 -4.189 -0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.156 -5.183 -1.315 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.157 -4.712 0.643 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.822 -5.436 1.518 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.954 -3.314 1.976 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.479 -3.119 -0.493 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.561 -1.355 -0.431 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.069 -1.053 2.044 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.203 -0.192 0.999 1.00 0.00 H new ATOM 868 N ILE A 61 0.704 -4.935 0.747 1.00 0.00 N ATOM 869 CA ILE A 61 1.305 -4.242 1.799 1.00 0.00 C ATOM 870 C ILE A 61 1.401 -2.759 1.586 1.00 0.00 C ATOM 871 O ILE A 61 1.713 -2.280 0.498 1.00 0.00 O ATOM 872 CB ILE A 61 2.701 -4.768 2.022 1.00 0.00 C ATOM 873 CG1 ILE A 61 3.380 -5.260 0.732 1.00 0.00 C ATOM 874 CG2 ILE A 61 2.650 -5.877 3.041 1.00 0.00 C ATOM 875 CD1 ILE A 61 3.441 -4.224 -0.371 1.00 0.00 C ATOM 0 H ILE A 61 1.359 -5.248 0.031 1.00 0.00 H new ATOM 0 HA ILE A 61 0.660 -4.407 2.662 1.00 0.00 H new ATOM 0 HB ILE A 61 3.308 -3.939 2.386 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.394 -5.583 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.845 -6.135 0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.655 -6.264 3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.248 -5.492 3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.009 -6.679 2.674 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.934 -4.651 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.430 -3.918 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.003 -3.357 -0.025 1.00 0.00 H new ATOM 887 N HIS A 62 1.179 -2.070 2.685 1.00 0.00 N ATOM 888 CA HIS A 62 1.265 -0.634 2.781 1.00 0.00 C ATOM 889 C HIS A 62 0.050 -0.093 3.505 1.00 0.00 C ATOM 890 O HIS A 62 -1.052 -0.052 2.956 1.00 0.00 O ATOM 891 CB HIS A 62 1.419 0.079 1.439 1.00 0.00 C ATOM 892 CG HIS A 62 2.850 0.313 1.064 1.00 0.00 C ATOM 893 ND1 HIS A 62 3.640 -0.645 0.465 1.00 0.00 N ATOM 894 CD2 HIS A 62 3.640 1.402 1.221 1.00 0.00 C ATOM 895 CE1 HIS A 62 4.853 -0.156 0.273 1.00 0.00 C ATOM 896 NE2 HIS A 62 4.878 1.083 0.721 1.00 0.00 N ATOM 0 H HIS A 62 0.924 -2.514 3.567 1.00 0.00 H new ATOM 0 HA HIS A 62 2.177 -0.428 3.341 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.937 -0.513 0.661 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.898 1.036 1.480 1.00 0.00 H new ATOM 0 HD1 HIS A 62 3.336 -1.585 0.210 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.350 2.346 1.658 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.683 -0.683 -0.175 1.00 0.00 H new ATOM 905 N LYS A 63 0.260 0.331 4.732 1.00 0.00 N ATOM 906 CA LYS A 63 -0.813 0.887 5.538 1.00 0.00 C ATOM 907 C LYS A 63 -0.978 2.348 5.199 1.00 0.00 C ATOM 908 O LYS A 63 -0.104 3.158 5.509 1.00 0.00 O ATOM 909 CB LYS A 63 -0.506 0.729 7.027 1.00 0.00 C ATOM 910 CG LYS A 63 0.926 1.084 7.399 1.00 0.00 C ATOM 911 CD LYS A 63 1.090 1.231 8.902 1.00 0.00 C ATOM 912 CE LYS A 63 2.031 2.373 9.250 1.00 0.00 C ATOM 913 NZ LYS A 63 2.863 2.062 10.445 1.00 0.00 N ATOM 0 H LYS A 63 1.167 0.302 5.198 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.737 0.350 5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.187 1.360 7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.703 -0.302 7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.601 0.311 7.032 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.211 2.015 6.908 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.117 1.408 9.360 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.475 0.301 9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.680 2.580 8.399 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.451 3.277 9.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.491 2.865 10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.245 1.889 11.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.435 1.214 10.258 1.00 0.00 H new ATOM 927 N GLY A 64 -2.076 2.699 4.541 1.00 0.00 N ATOM 928 CA GLY A 64 -2.240 4.087 4.180 1.00 0.00 C ATOM 929 C GLY A 64 -1.437 4.420 2.955 1.00 0.00 C ATOM 930 O GLY A 64 -0.210 4.448 2.992 1.00 0.00 O ATOM 0 H GLY A 64 -2.829 2.071 4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.294 4.297 3.997 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.927 4.722 5.009 1.00 0.00 H new ATOM 934 N ASP A 65 -2.141 4.632 1.864 1.00 0.00 N ATOM 935 CA ASP A 65 -1.504 4.939 0.583 1.00 0.00 C ATOM 936 C ASP A 65 -2.549 5.241 -0.479 1.00 0.00 C ATOM 937 O ASP A 65 -3.724 5.382 -0.148 1.00 0.00 O ATOM 938 CB ASP A 65 -0.650 3.760 0.167 1.00 0.00 C ATOM 939 CG ASP A 65 0.832 4.067 0.220 1.00 0.00 C ATOM 940 OD1 ASP A 65 1.286 4.940 -0.548 1.00 0.00 O ATOM 941 OD2 ASP A 65 1.538 3.438 1.035 1.00 0.00 O ATOM 0 H ASP A 65 -3.160 4.599 1.830 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.878 5.824 0.693 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.865 2.913 0.818 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.919 3.460 -0.846 1.00 0.00 H new ATOM 946 N ARG A 66 -2.153 5.367 -1.757 1.00 0.00 N ATOM 947 CA ARG A 66 -3.169 5.669 -2.760 1.00 0.00 C ATOM 948 C ARG A 66 -3.181 4.776 -4.016 1.00 0.00 C ATOM 949 O ARG A 66 -2.336 4.886 -4.898 1.00 0.00 O ATOM 950 CB ARG A 66 -3.046 7.133 -3.189 1.00 0.00 C ATOM 951 CG ARG A 66 -2.818 8.093 -2.031 1.00 0.00 C ATOM 952 CD ARG A 66 -1.371 8.554 -1.964 1.00 0.00 C ATOM 953 NE ARG A 66 -1.136 9.743 -2.779 1.00 0.00 N ATOM 954 CZ ARG A 66 -1.458 10.978 -2.398 1.00 0.00 C ATOM 955 NH1 ARG A 66 -2.026 11.190 -1.217 1.00 0.00 N ATOM 956 NH2 ARG A 66 -1.209 12.004 -3.200 1.00 0.00 N ATOM 0 H ARG A 66 -1.197 5.271 -2.099 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.114 5.460 -2.259 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.221 7.227 -3.895 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.953 7.425 -3.718 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.472 8.958 -2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.089 7.606 -1.095 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.106 8.767 -0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.718 7.749 -2.301 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.700 9.620 -3.693 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.218 10.405 -0.595 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.270 12.138 -0.931 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.771 11.847 -4.108 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.455 12.950 -2.909 1.00 0.00 H new ATOM 970 N VAL A 67 -4.208 3.934 -4.083 1.00 0.00 N ATOM 971 CA VAL A 67 -4.498 3.044 -5.139 1.00 0.00 C ATOM 972 C VAL A 67 -5.163 3.627 -6.337 1.00 0.00 C ATOM 973 O VAL A 67 -6.089 4.434 -6.250 1.00 0.00 O ATOM 974 CB VAL A 67 -5.408 1.931 -4.687 1.00 0.00 C ATOM 975 CG1 VAL A 67 -4.542 0.799 -4.395 1.00 0.00 C ATOM 976 CG2 VAL A 67 -6.272 2.293 -3.518 1.00 0.00 C ATOM 0 H VAL A 67 -4.894 3.872 -3.331 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.501 2.709 -5.427 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.126 1.698 -5.473 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.146 -0.044 -4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.994 0.519 -5.294 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.836 1.073 -3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.898 1.442 -3.251 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.642 2.560 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.905 3.141 -3.782 1.00 0.00 H new ATOM 986 N LEU A 68 -4.741 3.101 -7.458 1.00 0.00 N ATOM 987 CA LEU A 68 -5.355 3.452 -8.705 1.00 0.00 C ATOM 988 C LEU A 68 -6.565 2.536 -8.889 1.00 0.00 C ATOM 989 O LEU A 68 -7.668 3.006 -9.167 1.00 0.00 O ATOM 990 CB LEU A 68 -4.375 3.322 -9.878 1.00 0.00 C ATOM 991 CG LEU A 68 -3.976 1.896 -10.258 1.00 0.00 C ATOM 992 CD1 LEU A 68 -4.999 1.287 -11.206 1.00 0.00 C ATOM 993 CD2 LEU A 68 -2.594 1.889 -10.892 1.00 0.00 C ATOM 0 H LEU A 68 -3.976 2.430 -7.529 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.665 4.497 -8.688 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.818 3.800 -10.752 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.470 3.879 -9.634 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.948 1.291 -9.352 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.697 0.272 -11.464 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.975 1.263 -10.721 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.059 1.890 -12.112 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.321 0.868 -11.158 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.602 2.508 -11.789 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.867 2.286 -10.184 1.00 0.00 H new ATOM 1005 N ALA A 69 -6.365 1.220 -8.681 1.00 0.00 N ATOM 1006 CA ALA A 69 -7.457 0.263 -8.771 1.00 0.00 C ATOM 1007 C ALA A 69 -7.401 -0.673 -7.585 1.00 0.00 C ATOM 1008 O ALA A 69 -6.323 -0.942 -7.083 1.00 0.00 O ATOM 1009 CB ALA A 69 -7.397 -0.512 -10.079 1.00 0.00 C ATOM 0 H ALA A 69 -5.460 0.809 -8.452 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.404 0.802 -8.756 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.224 -1.220 -10.121 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.471 0.182 -10.917 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.453 -1.053 -10.138 1.00 0.00 H new ATOM 1015 N VAL A 70 -8.538 -1.190 -7.164 1.00 0.00 N ATOM 1016 CA VAL A 70 -8.588 -2.133 -6.063 1.00 0.00 C ATOM 1017 C VAL A 70 -9.266 -3.406 -6.531 1.00 0.00 C ATOM 1018 O VAL A 70 -10.189 -3.363 -7.341 1.00 0.00 O ATOM 1019 CB VAL A 70 -9.324 -1.563 -4.853 1.00 0.00 C ATOM 1020 CG1 VAL A 70 -10.764 -1.348 -5.223 1.00 0.00 C ATOM 1021 CG2 VAL A 70 -9.198 -2.492 -3.655 1.00 0.00 C ATOM 0 H VAL A 70 -9.447 -0.971 -7.571 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.566 -2.343 -5.749 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.878 -0.610 -4.568 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.303 -0.941 -4.367 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.825 -0.648 -6.057 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -11.211 -2.299 -5.514 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.730 -2.064 -2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.627 -3.463 -3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.146 -2.615 -3.399 1.00 0.00 H new ATOM 1031 N ASN A 71 -8.793 -4.528 -6.034 1.00 0.00 N ATOM 1032 CA ASN A 71 -9.326 -5.831 -6.417 1.00 0.00 C ATOM 1033 C ASN A 71 -9.512 -5.921 -7.928 1.00 0.00 C ATOM 1034 O ASN A 71 -10.226 -6.792 -8.424 1.00 0.00 O ATOM 1035 CB ASN A 71 -10.659 -6.057 -5.743 1.00 0.00 C ATOM 1036 CG ASN A 71 -11.092 -7.513 -5.757 1.00 0.00 C ATOM 1037 OD1 ASN A 71 -10.806 -8.268 -4.829 1.00 0.00 O ATOM 1038 ND2 ASN A 71 -11.797 -7.912 -6.810 1.00 0.00 N ATOM 0 H ASN A 71 -8.032 -4.570 -5.356 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.614 -6.594 -6.103 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.601 -5.711 -4.711 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.418 -5.453 -6.240 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.123 -8.877 -6.870 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -12.013 -7.254 -7.559 1.00 0.00 H new ATOM 1045 N GLY A 72 -8.880 -5.009 -8.657 1.00 0.00 N ATOM 1046 CA GLY A 72 -9.016 -5.014 -10.104 1.00 0.00 C ATOM 1047 C GLY A 72 -9.894 -3.891 -10.613 1.00 0.00 C ATOM 1048 O GLY A 72 -9.740 -3.454 -11.754 1.00 0.00 O ATOM 0 H GLY A 72 -8.282 -4.274 -8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.028 -4.931 -10.558 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.434 -5.969 -10.422 1.00 0.00 H new ATOM 1052 N VAL A 73 -10.794 -3.390 -9.770 1.00 0.00 N ATOM 1053 CA VAL A 73 -11.645 -2.285 -10.175 1.00 0.00 C ATOM 1054 C VAL A 73 -10.910 -0.998 -9.890 1.00 0.00 C ATOM 1055 O VAL A 73 -10.219 -0.893 -8.889 1.00 0.00 O ATOM 1056 CB VAL A 73 -13.038 -2.263 -9.464 1.00 0.00 C ATOM 1057 CG1 VAL A 73 -13.819 -1.008 -9.833 1.00 0.00 C ATOM 1058 CG2 VAL A 73 -13.830 -3.514 -9.815 1.00 0.00 C ATOM 0 H VAL A 73 -10.948 -3.727 -8.820 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.855 -2.407 -11.238 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.872 -2.249 -8.387 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.784 -1.017 -9.325 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.256 -0.126 -9.527 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.977 -0.981 -10.911 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.797 -3.485 -9.313 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.982 -3.558 -10.893 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.279 -4.397 -9.490 1.00 0.00 H new ATOM 1068 N SER A 74 -11.052 -0.017 -10.753 1.00 0.00 N ATOM 1069 CA SER A 74 -10.371 1.242 -10.530 1.00 0.00 C ATOM 1070 C SER A 74 -11.163 2.008 -9.500 1.00 0.00 C ATOM 1071 O SER A 74 -12.315 2.367 -9.746 1.00 0.00 O ATOM 1072 CB SER A 74 -10.266 2.042 -11.830 1.00 0.00 C ATOM 1073 OG SER A 74 -10.276 1.186 -12.958 1.00 0.00 O ATOM 0 H SER A 74 -11.620 -0.061 -11.599 1.00 0.00 H new ATOM 0 HA SER A 74 -9.355 1.065 -10.178 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.096 2.745 -11.896 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.349 2.631 -11.825 1.00 0.00 H new ATOM 0 HG SER A 74 -10.210 1.722 -13.776 1.00 0.00 H new ATOM 1079 N LEU A 75 -10.568 2.255 -8.332 1.00 0.00 N ATOM 1080 CA LEU A 75 -11.268 2.954 -7.322 1.00 0.00 C ATOM 1081 C LEU A 75 -10.870 4.385 -7.409 1.00 0.00 C ATOM 1082 O LEU A 75 -10.070 4.880 -6.628 1.00 0.00 O ATOM 1083 CB LEU A 75 -10.934 2.390 -5.948 1.00 0.00 C ATOM 1084 CG LEU A 75 -9.480 2.583 -5.534 1.00 0.00 C ATOM 1085 CD1 LEU A 75 -9.371 2.802 -4.034 1.00 0.00 C ATOM 1086 CD2 LEU A 75 -8.641 1.397 -5.963 1.00 0.00 C ATOM 0 H LEU A 75 -9.617 1.975 -8.090 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.343 2.848 -7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.578 2.863 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.165 1.325 -5.938 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.098 3.472 -6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.324 2.937 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.937 3.691 -3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.773 1.935 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.606 1.554 -5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.024 0.491 -5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.688 1.291 -7.047 1.00 0.00 H new ATOM 1098 N GLU A 76 -11.438 5.053 -8.363 1.00 0.00 N ATOM 1099 CA GLU A 76 -11.129 6.432 -8.543 1.00 0.00 C ATOM 1100 C GLU A 76 -12.151 7.271 -7.789 1.00 0.00 C ATOM 1101 O GLU A 76 -12.489 8.382 -8.195 1.00 0.00 O ATOM 1102 CB GLU A 76 -11.113 6.803 -10.027 1.00 0.00 C ATOM 1103 CG GLU A 76 -9.891 6.285 -10.769 1.00 0.00 C ATOM 1104 CD GLU A 76 -10.228 5.761 -12.151 1.00 0.00 C ATOM 1105 OE1 GLU A 76 -11.292 6.138 -12.687 1.00 0.00 O ATOM 1106 OE2 GLU A 76 -9.428 4.973 -12.699 1.00 0.00 O ATOM 0 H GLU A 76 -12.113 4.668 -9.024 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.133 6.630 -8.148 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.011 6.408 -10.502 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.153 7.888 -10.122 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.157 7.086 -10.857 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.426 5.490 -10.186 1.00 0.00 H new ATOM 1113 N GLY A 77 -12.669 6.696 -6.705 1.00 0.00 N ATOM 1114 CA GLY A 77 -13.676 7.345 -5.919 1.00 0.00 C ATOM 1115 C GLY A 77 -14.995 6.627 -6.056 1.00 0.00 C ATOM 1116 O GLY A 77 -16.061 7.197 -5.823 1.00 0.00 O ATOM 0 H GLY A 77 -12.395 5.775 -6.362 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.373 7.365 -4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.784 8.381 -6.239 1.00 0.00 H new ATOM 1120 N ALA A 78 -14.906 5.356 -6.438 1.00 0.00 N ATOM 1121 CA ALA A 78 -16.073 4.520 -6.614 1.00 0.00 C ATOM 1122 C ALA A 78 -16.400 3.804 -5.328 1.00 0.00 C ATOM 1123 O ALA A 78 -17.540 3.866 -4.871 1.00 0.00 O ATOM 1124 CB ALA A 78 -15.850 3.523 -7.739 1.00 0.00 C ATOM 0 H ALA A 78 -14.022 4.885 -6.632 1.00 0.00 H new ATOM 0 HA ALA A 78 -16.918 5.154 -6.883 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.738 2.903 -7.857 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -15.656 4.060 -8.668 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -14.995 2.891 -7.500 1.00 0.00 H new ATOM 1130 N THR A 79 -15.410 3.114 -4.738 1.00 0.00 N ATOM 1131 CA THR A 79 -15.631 2.392 -3.518 1.00 0.00 C ATOM 1132 C THR A 79 -17.054 2.062 -3.337 1.00 0.00 C ATOM 1133 O THR A 79 -17.515 1.085 -3.908 1.00 0.00 O ATOM 1134 CB THR A 79 -15.104 3.130 -2.315 1.00 0.00 C ATOM 1135 OG1 THR A 79 -14.919 4.510 -2.574 1.00 0.00 O ATOM 1136 CG2 THR A 79 -13.828 2.547 -1.926 1.00 0.00 C ATOM 0 H THR A 79 -14.459 3.054 -5.101 1.00 0.00 H new ATOM 0 HA THR A 79 -15.071 1.461 -3.604 1.00 0.00 H new ATOM 0 HB THR A 79 -15.839 3.036 -1.516 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.892 5.001 -1.726 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.437 3.074 -1.056 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.969 1.495 -1.680 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.121 2.635 -2.751 1.00 0.00 H new ATOM 1144 N HIS A 80 -17.731 2.866 -2.527 1.00 0.00 N ATOM 1145 CA HIS A 80 -19.126 2.635 -2.249 1.00 0.00 C ATOM 1146 C HIS A 80 -19.466 1.203 -2.637 1.00 0.00 C ATOM 1147 O HIS A 80 -19.497 0.313 -1.788 1.00 0.00 O ATOM 1148 CB HIS A 80 -19.982 3.687 -2.967 1.00 0.00 C ATOM 1149 CG HIS A 80 -21.356 3.238 -3.308 1.00 0.00 C ATOM 1150 ND1 HIS A 80 -21.784 2.574 -4.381 1.00 0.00 N flip ATOM 1151 CD2 HIS A 80 -22.464 3.465 -2.521 1.00 0.00 C flip ATOM 1152 CE1 HIS A 80 -23.139 2.400 -4.251 1.00 0.00 C flip ATOM 1153 NE2 HIS A 80 -23.528 2.949 -3.113 1.00 0.00 N flip ATOM 0 H HIS A 80 -17.331 3.678 -2.057 1.00 0.00 H new ATOM 0 HA HIS A 80 -19.343 2.745 -1.186 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -20.050 4.573 -2.336 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -19.474 3.986 -3.884 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -22.464 3.982 -1.573 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -23.781 1.898 -4.960 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -24.483 2.971 -2.754 1.00 0.00 H new ATOM 1162 N LYS A 81 -19.668 0.968 -3.917 1.00 0.00 N ATOM 1163 CA LYS A 81 -19.922 -0.379 -4.387 1.00 0.00 C ATOM 1164 C LYS A 81 -18.648 -1.216 -4.624 1.00 0.00 C ATOM 1165 O LYS A 81 -18.443 -2.274 -4.036 1.00 0.00 O ATOM 1166 CB LYS A 81 -20.742 -0.330 -5.676 1.00 0.00 C ATOM 1167 CG LYS A 81 -21.207 -1.696 -6.155 1.00 0.00 C ATOM 1168 CD LYS A 81 -21.779 -1.628 -7.561 1.00 0.00 C ATOM 1169 CE LYS A 81 -20.702 -1.843 -8.612 1.00 0.00 C ATOM 1170 NZ LYS A 81 -20.960 -1.043 -9.843 1.00 0.00 N ATOM 0 H LYS A 81 -19.662 1.683 -4.644 1.00 0.00 H new ATOM 0 HA LYS A 81 -20.473 -0.876 -3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -21.613 0.306 -5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -20.144 0.136 -6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.370 -2.394 -6.135 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -21.963 -2.084 -5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -22.556 -2.383 -7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -22.252 -0.658 -7.716 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -19.731 -1.570 -8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -20.652 -2.901 -8.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -20.204 -1.217 -10.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -21.875 -1.321 -10.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -20.982 -0.032 -9.602 1.00 0.00 H new ATOM 1184 N GLN A 82 -17.826 -0.727 -5.563 1.00 0.00 N ATOM 1185 CA GLN A 82 -16.628 -1.445 -6.034 1.00 0.00 C ATOM 1186 C GLN A 82 -15.446 -1.550 -5.115 1.00 0.00 C ATOM 1187 O GLN A 82 -14.928 -2.640 -4.907 1.00 0.00 O ATOM 1188 CB GLN A 82 -16.094 -0.761 -7.299 1.00 0.00 C ATOM 1189 CG GLN A 82 -17.183 -0.356 -8.272 1.00 0.00 C ATOM 1190 CD GLN A 82 -16.644 0.194 -9.578 1.00 0.00 C ATOM 1191 OE1 GLN A 82 -15.651 1.070 -9.487 1.00 0.00 O flip ATOM 1192 NE2 GLN A 82 -17.113 -0.166 -10.658 1.00 0.00 N flip ATOM 0 H GLN A 82 -17.970 0.175 -6.018 1.00 0.00 H new ATOM 0 HA GLN A 82 -17.007 -2.459 -6.160 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.526 0.124 -7.012 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.401 -1.435 -7.802 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.813 -1.220 -8.482 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -17.818 0.396 -7.804 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -17.876 -0.842 -10.683 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -16.738 0.212 -11.528 1.00 0.00 H new ATOM 1201 N ALA A 83 -14.946 -0.439 -4.648 1.00 0.00 N ATOM 1202 CA ALA A 83 -13.722 -0.523 -3.854 1.00 0.00 C ATOM 1203 C ALA A 83 -13.929 -1.009 -2.463 1.00 0.00 C ATOM 1204 O ALA A 83 -13.265 -1.940 -2.006 1.00 0.00 O ATOM 1205 CB ALA A 83 -12.894 0.755 -3.920 1.00 0.00 C ATOM 0 H ALA A 83 -15.332 0.495 -4.785 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.128 -1.303 -4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.996 0.639 -3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.610 0.952 -4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.483 1.590 -3.541 1.00 0.00 H new ATOM 1211 N VAL A 84 -14.861 -0.418 -1.809 1.00 0.00 N ATOM 1212 CA VAL A 84 -15.152 -0.796 -0.456 1.00 0.00 C ATOM 1213 C VAL A 84 -15.650 -2.217 -0.415 1.00 0.00 C ATOM 1214 O VAL A 84 -15.230 -3.020 0.421 1.00 0.00 O ATOM 1215 CB VAL A 84 -16.178 0.140 0.207 1.00 0.00 C ATOM 1216 CG1 VAL A 84 -17.108 0.716 -0.827 1.00 0.00 C ATOM 1217 CG2 VAL A 84 -16.975 -0.594 1.271 1.00 0.00 C ATOM 0 H VAL A 84 -15.443 0.333 -2.181 1.00 0.00 H new ATOM 0 HA VAL A 84 -14.224 -0.712 0.110 1.00 0.00 H new ATOM 0 HB VAL A 84 -15.632 0.953 0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.828 1.376 -0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.532 1.282 -1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.639 -0.093 -1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -17.693 0.090 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -17.507 -1.429 0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -16.298 -0.970 2.038 1.00 0.00 H new ATOM 1327 N GLY A 91 -9.876 -11.681 -1.598 1.00 0.00 N ATOM 1328 CA GLY A 91 -9.582 -13.060 -1.249 1.00 0.00 C ATOM 1329 C GLY A 91 -9.917 -14.044 -2.357 1.00 0.00 C ATOM 1330 O GLY A 91 -9.018 -14.687 -2.899 1.00 0.00 O ATOM 0 HA2 GLY A 91 -8.524 -13.148 -1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.142 -13.328 -0.353 1.00 0.00 H new ATOM 1334 N GLN A 92 -11.210 -14.168 -2.699 1.00 0.00 N ATOM 1335 CA GLN A 92 -11.644 -15.090 -3.761 1.00 0.00 C ATOM 1336 C GLN A 92 -10.581 -15.156 -4.850 1.00 0.00 C ATOM 1337 O GLN A 92 -10.242 -16.223 -5.358 1.00 0.00 O ATOM 1338 CB GLN A 92 -12.978 -14.634 -4.354 1.00 0.00 C ATOM 1339 CG GLN A 92 -12.973 -13.188 -4.823 1.00 0.00 C ATOM 1340 CD GLN A 92 -14.336 -12.535 -4.715 1.00 0.00 C ATOM 1341 OE1 GLN A 92 -15.341 -13.204 -4.471 1.00 0.00 O ATOM 1342 NE2 GLN A 92 -14.380 -11.220 -4.895 1.00 0.00 N ATOM 0 H GLN A 92 -11.968 -13.646 -2.259 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.780 -16.083 -3.332 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.232 -15.279 -5.195 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.761 -14.762 -3.607 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.255 -12.621 -4.231 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.636 -13.147 -5.859 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -13.523 -10.704 -5.095 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.270 -10.726 -4.833 1.00 0.00 H new ATOM 1351 N VAL A 93 -10.043 -13.988 -5.156 1.00 0.00 N ATOM 1352 CA VAL A 93 -9.024 -13.796 -6.084 1.00 0.00 C ATOM 1353 C VAL A 93 -8.847 -12.314 -6.216 1.00 0.00 C ATOM 1354 O VAL A 93 -9.745 -11.607 -6.674 1.00 0.00 O ATOM 1355 CB VAL A 93 -9.301 -14.451 -7.410 1.00 0.00 C ATOM 1356 CG1 VAL A 93 -10.171 -13.593 -8.322 1.00 0.00 C ATOM 1357 CG2 VAL A 93 -7.955 -14.714 -7.975 1.00 0.00 C ATOM 0 H VAL A 93 -10.348 -13.118 -4.719 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.108 -14.273 -5.737 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.882 -15.367 -7.301 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.338 -14.116 -9.264 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -11.129 -13.403 -7.838 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.669 -12.645 -8.517 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.056 -15.194 -8.948 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.418 -13.772 -8.089 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.400 -15.369 -7.304 1.00 0.00 H new ATOM 1367 N VAL A 94 -7.743 -11.826 -5.709 1.00 0.00 N ATOM 1368 CA VAL A 94 -7.543 -10.427 -5.676 1.00 0.00 C ATOM 1369 C VAL A 94 -6.378 -9.960 -6.500 1.00 0.00 C ATOM 1370 O VAL A 94 -5.272 -10.495 -6.460 1.00 0.00 O ATOM 1371 CB VAL A 94 -7.317 -9.974 -4.261 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -5.897 -9.511 -4.176 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -8.294 -8.875 -3.853 1.00 0.00 C ATOM 0 H VAL A 94 -6.983 -12.384 -5.320 1.00 0.00 H new ATOM 0 HA VAL A 94 -8.447 -9.992 -6.102 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.496 -10.794 -3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.685 -9.171 -3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.230 -10.335 -4.429 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.740 -8.689 -4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.096 -8.576 -2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.169 -8.015 -4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.315 -9.248 -3.933 1.00 0.00 H new ATOM 1383 N HIS A 95 -6.661 -8.908 -7.177 1.00 0.00 N ATOM 1384 CA HIS A 95 -5.685 -8.200 -7.979 1.00 0.00 C ATOM 1385 C HIS A 95 -5.784 -6.706 -7.735 1.00 0.00 C ATOM 1386 O HIS A 95 -6.814 -6.103 -8.017 1.00 0.00 O ATOM 1387 CB HIS A 95 -5.849 -8.587 -9.424 1.00 0.00 C ATOM 1388 CG HIS A 95 -5.420 -9.993 -9.592 1.00 0.00 C ATOM 1389 ND1 HIS A 95 -6.142 -11.049 -9.119 1.00 0.00 N ATOM 1390 CD2 HIS A 95 -4.271 -10.512 -10.042 1.00 0.00 C ATOM 1391 CE1 HIS A 95 -5.433 -12.142 -9.274 1.00 0.00 C ATOM 1392 NE2 HIS A 95 -4.311 -11.845 -9.844 1.00 0.00 N ATOM 0 H HIS A 95 -7.592 -8.492 -7.201 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.674 -8.484 -7.686 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.889 -8.470 -9.730 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.254 -7.932 -10.060 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.456 -9.960 -10.486 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -5.738 -13.133 -8.973 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.579 -12.508 -10.101 1.00 0.00 H new ATOM 1401 N LEU A 96 -4.748 -6.110 -7.168 1.00 0.00 N ATOM 1402 CA LEU A 96 -4.774 -4.736 -6.856 1.00 0.00 C ATOM 1403 C LEU A 96 -3.683 -3.916 -7.440 1.00 0.00 C ATOM 1404 O LEU A 96 -2.529 -4.263 -7.359 1.00 0.00 O ATOM 1405 CB LEU A 96 -4.694 -4.561 -5.366 1.00 0.00 C ATOM 1406 CG LEU A 96 -5.816 -3.733 -4.938 1.00 0.00 C ATOM 1407 CD1 LEU A 96 -6.243 -4.031 -3.508 1.00 0.00 C ATOM 1408 CD2 LEU A 96 -5.522 -2.257 -5.168 1.00 0.00 C ATOM 0 H LEU A 96 -3.879 -6.585 -6.921 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.708 -4.382 -7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.726 -5.530 -4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.750 -4.092 -5.090 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.673 -3.992 -5.560 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.081 -3.389 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.546 -5.075 -3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.409 -3.843 -2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.374 -1.661 -4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.638 -1.969 -4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.343 -2.083 -6.229 1.00 0.00 H new ATOM 1420 N LEU A 97 -4.075 -2.764 -7.928 1.00 0.00 N ATOM 1421 CA LEU A 97 -3.125 -1.806 -8.420 1.00 0.00 C ATOM 1422 C LEU A 97 -3.106 -0.613 -7.474 1.00 0.00 C ATOM 1423 O LEU A 97 -4.096 0.105 -7.341 1.00 0.00 O ATOM 1424 CB LEU A 97 -3.486 -1.365 -9.828 1.00 0.00 C ATOM 1425 CG LEU A 97 -3.003 -2.321 -10.896 1.00 0.00 C ATOM 1426 CD1 LEU A 97 -3.522 -1.912 -12.266 1.00 0.00 C ATOM 1427 CD2 LEU A 97 -1.483 -2.380 -10.879 1.00 0.00 C ATOM 0 H LEU A 97 -5.050 -2.470 -7.993 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.135 -2.260 -8.461 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.569 -1.264 -9.903 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.060 -0.379 -10.013 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.394 -3.316 -10.684 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.161 -2.615 -13.017 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.612 -1.917 -12.259 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.166 -0.910 -12.506 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.137 -3.069 -11.649 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.078 -1.387 -11.073 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.143 -2.726 -9.903 1.00 0.00 H new ATOM 1439 N LEU A 98 -1.979 -0.430 -6.806 1.00 0.00 N ATOM 1440 CA LEU A 98 -1.816 0.654 -5.838 1.00 0.00 C ATOM 1441 C LEU A 98 -0.812 1.679 -6.301 1.00 0.00 C ATOM 1442 O LEU A 98 0.116 1.365 -7.039 1.00 0.00 O ATOM 1443 CB LEU A 98 -1.374 0.073 -4.501 1.00 0.00 C ATOM 1444 CG LEU A 98 0.030 0.457 -4.011 1.00 0.00 C ATOM 1445 CD1 LEU A 98 -0.034 1.730 -3.176 1.00 0.00 C ATOM 1446 CD2 LEU A 98 0.591 -0.712 -3.232 1.00 0.00 C ATOM 0 H LEU A 98 -1.155 -1.021 -6.914 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.777 1.158 -5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.094 0.379 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.425 -1.014 -4.569 1.00 0.00 H new ATOM 0 HG LEU A 98 0.691 0.669 -4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.967 1.992 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.435 2.543 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.680 1.567 -2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.590 -0.464 -2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.057 -0.928 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.645 -1.588 -3.879 1.00 0.00 H new ATOM 1458 N GLU A 99 -0.987 2.899 -5.825 1.00 0.00 N ATOM 1459 CA GLU A 99 -0.061 3.969 -6.161 1.00 0.00 C ATOM 1460 C GLU A 99 0.478 4.650 -4.916 1.00 0.00 C ATOM 1461 O GLU A 99 -0.233 5.347 -4.194 1.00 0.00 O ATOM 1462 CB GLU A 99 -0.686 4.999 -7.095 1.00 0.00 C ATOM 1463 CG GLU A 99 -1.550 4.394 -8.187 1.00 0.00 C ATOM 1464 CD GLU A 99 -1.279 5.005 -9.549 1.00 0.00 C ATOM 1465 OE1 GLU A 99 -0.148 4.848 -10.055 1.00 0.00 O ATOM 1466 OE2 GLU A 99 -2.198 5.639 -10.108 1.00 0.00 O ATOM 0 H GLU A 99 -1.753 3.173 -5.210 1.00 0.00 H new ATOM 0 HA GLU A 99 0.771 3.502 -6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.291 5.689 -6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.108 5.586 -7.557 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -1.372 3.320 -8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -2.601 4.533 -7.933 1.00 0.00 H new