USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 854 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 77 HIS : no HE2:sc= -0.875 K(o=-2.6,f=-12!) USER MOD Set 1.2: A 100 HIS : no HD1:sc= -1.73 K(o=-2.6,f=-9.8!) USER MOD Set 2.1: A 37 ASN : amide:sc= -0.765 K(o=-1.2,f=-0.17) USER MOD Set 2.2: A 38 GLN : amide:sc= -0.0319 K(o=-1.2,f=-0.17) USER MOD Set 2.3: A 81 HIS : no HE2:sc= -0.366 K(o=-1.2,f=-0.51) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -1.37 K(o=-1.4,f=-4.1!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -170:sc= -0.0129 (180deg=-0.149) USER MOD Single : A 23 LYS NZ :NH3+ 167:sc=-0.00346 (180deg=-0.133) USER MOD Single : A 24 LYS NZ :NH3+ -150:sc= 1.15 (180deg=0.448) USER MOD Single : A 26 LYS NZ :NH3+ -166:sc= -0.0274 (180deg=-0.291) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.84) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 2:sc= 0.849 USER MOD Single : A 52 LYS NZ :NH3+ -152:sc= 1.29 (180deg=1.12) USER MOD Single : A 57 LYS NZ :NH3+ 134:sc= -0.117 (180deg=-1!) USER MOD Single : A 60 ASN : amide:sc= -0.811! C(o=-0.81!,f=-11!) USER MOD Single : A 63 LYS NZ :NH3+ -141:sc= -1.41 (180deg=-3.96!) USER MOD Single : A 65 GLN : amide:sc= -1.78! C(o=-1.8!,f=-7!) USER MOD Single : A 69 LYS NZ :NH3+ 149:sc= 1.12 (180deg=1.04) USER MOD Single : A 76 LYS NZ :NH3+ 148:sc= 1.23 (180deg=1.01) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.29) USER MOD Single : A 95 SER OG : rot 77:sc= 1.17 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= -1.57! C(o=-1.6!,f=-6.1!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HE2:sc= 0.00395 K(o=0.52,f=-8!) USER MOD ----------------------------------------------------------------- ATOM 90 N GLU A 6 -8.028 4.903 11.122 1.00 0.00 N ATOM 91 CA GLU A 6 -8.550 3.785 10.355 1.00 0.00 C ATOM 92 C GLU A 6 -7.875 3.696 8.992 1.00 0.00 C ATOM 93 O GLU A 6 -7.678 2.608 8.456 1.00 0.00 O ATOM 94 CB GLU A 6 -10.063 3.908 10.213 1.00 0.00 C ATOM 95 CG GLU A 6 -10.781 3.899 11.553 1.00 0.00 C ATOM 96 CD GLU A 6 -12.285 3.927 11.417 1.00 0.00 C ATOM 97 OE1 GLU A 6 -12.854 5.031 11.292 1.00 0.00 O ATOM 98 OE2 GLU A 6 -12.906 2.847 11.455 1.00 0.00 O ATOM 0 HA GLU A 6 -8.328 2.862 10.891 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.300 4.831 9.685 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.434 3.086 9.601 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.489 3.009 12.110 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.458 4.761 12.138 1.00 0.00 H new ATOM 105 N LEU A 7 -7.505 4.850 8.450 1.00 0.00 N ATOM 106 CA LEU A 7 -6.794 4.909 7.182 1.00 0.00 C ATOM 107 C LEU A 7 -5.420 4.257 7.322 1.00 0.00 C ATOM 108 O LEU A 7 -4.984 3.491 6.462 1.00 0.00 O ATOM 109 CB LEU A 7 -6.634 6.367 6.738 1.00 0.00 C ATOM 110 CG LEU A 7 -6.084 6.560 5.325 1.00 0.00 C ATOM 111 CD1 LEU A 7 -7.063 6.021 4.292 1.00 0.00 C ATOM 112 CD2 LEU A 7 -5.784 8.028 5.062 1.00 0.00 C ATOM 0 H LEU A 7 -7.687 5.760 8.872 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.369 4.369 6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.605 6.859 6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.972 6.874 7.441 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.153 6.000 5.241 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.654 6.167 3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.226 4.957 4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.011 6.552 4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.393 8.144 4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.699 8.611 5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.044 8.382 5.780 1.00 0.00 H new ATOM 124 N LEU A 8 -4.766 4.556 8.440 1.00 0.00 N ATOM 125 CA LEU A 8 -3.440 4.034 8.738 1.00 0.00 C ATOM 126 C LEU A 8 -3.443 2.511 8.759 1.00 0.00 C ATOM 127 O LEU A 8 -2.480 1.868 8.339 1.00 0.00 O ATOM 128 CB LEU A 8 -2.985 4.557 10.097 1.00 0.00 C ATOM 129 CG LEU A 8 -1.502 4.358 10.410 1.00 0.00 C ATOM 130 CD1 LEU A 8 -0.639 5.100 9.402 1.00 0.00 C ATOM 131 CD2 LEU A 8 -1.191 4.823 11.822 1.00 0.00 C ATOM 0 H LEU A 8 -5.142 5.168 9.164 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.755 4.367 7.958 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.212 5.622 10.153 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.572 4.065 10.872 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.275 3.294 10.339 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.413 4.947 9.641 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.842 4.721 8.400 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.868 6.165 9.441 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.131 4.674 12.029 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.435 5.881 11.919 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.784 4.248 12.533 1.00 0.00 H new ATOM 143 N LYS A 9 -4.540 1.946 9.251 1.00 0.00 N ATOM 144 CA LYS A 9 -4.680 0.495 9.374 1.00 0.00 C ATOM 145 C LYS A 9 -4.501 -0.210 8.033 1.00 0.00 C ATOM 146 O LYS A 9 -3.950 -1.313 7.977 1.00 0.00 O ATOM 147 CB LYS A 9 -6.041 0.126 9.969 1.00 0.00 C ATOM 148 CG LYS A 9 -6.218 0.565 11.414 1.00 0.00 C ATOM 149 CD LYS A 9 -7.506 0.013 12.002 1.00 0.00 C ATOM 150 CE LYS A 9 -7.502 -1.508 12.010 1.00 0.00 C ATOM 151 NZ LYS A 9 -8.792 -2.064 12.489 1.00 0.00 N ATOM 0 H LYS A 9 -5.352 2.473 9.574 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.890 0.158 10.045 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.827 0.577 9.363 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.173 -0.954 9.908 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.369 0.224 12.007 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.228 1.654 11.468 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.632 0.384 13.019 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.356 0.374 11.423 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.300 -1.875 11.004 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.694 -1.865 12.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.747 -3.103 12.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.973 -1.735 13.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.561 -1.745 11.865 1.00 0.00 H new ATOM 165 N ALA A 10 -4.963 0.423 6.959 1.00 0.00 N ATOM 166 CA ALA A 10 -4.845 -0.152 5.624 1.00 0.00 C ATOM 167 C ALA A 10 -3.378 -0.271 5.221 1.00 0.00 C ATOM 168 O ALA A 10 -2.941 -1.312 4.723 1.00 0.00 O ATOM 169 CB ALA A 10 -5.611 0.688 4.613 1.00 0.00 C ATOM 0 H ALA A 10 -5.422 1.333 6.987 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.279 -1.152 5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.512 0.245 3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.664 0.722 4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.206 1.700 4.600 1.00 0.00 H new ATOM 175 N GLU A 11 -2.624 0.795 5.466 1.00 0.00 N ATOM 176 CA GLU A 11 -1.195 0.813 5.177 1.00 0.00 C ATOM 177 C GLU A 11 -0.481 -0.262 5.993 1.00 0.00 C ATOM 178 O GLU A 11 0.362 -0.996 5.475 1.00 0.00 O ATOM 179 CB GLU A 11 -0.599 2.185 5.511 1.00 0.00 C ATOM 180 CG GLU A 11 -1.266 3.346 4.791 1.00 0.00 C ATOM 181 CD GLU A 11 -1.144 3.252 3.285 1.00 0.00 C ATOM 182 OE1 GLU A 11 -0.007 3.242 2.769 1.00 0.00 O ATOM 183 OE2 GLU A 11 -2.172 3.212 2.597 1.00 0.00 O ATOM 0 H GLU A 11 -2.981 1.662 5.866 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.057 0.613 4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.672 2.349 6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.462 2.178 5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.321 3.379 5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.820 4.281 5.129 1.00 0.00 H new ATOM 190 N GLN A 12 -0.842 -0.348 7.271 1.00 0.00 N ATOM 191 CA GLN A 12 -0.251 -1.322 8.184 1.00 0.00 C ATOM 192 C GLN A 12 -0.482 -2.745 7.686 1.00 0.00 C ATOM 193 O GLN A 12 0.424 -3.575 7.720 1.00 0.00 O ATOM 194 CB GLN A 12 -0.853 -1.174 9.581 1.00 0.00 C ATOM 195 CG GLN A 12 -0.650 0.197 10.202 1.00 0.00 C ATOM 196 CD GLN A 12 -1.434 0.362 11.486 1.00 0.00 C ATOM 197 OE1 GLN A 12 -2.491 -0.244 11.660 1.00 0.00 O ATOM 198 NE2 GLN A 12 -0.931 1.186 12.390 1.00 0.00 N ATOM 0 H GLN A 12 -1.547 0.251 7.700 1.00 0.00 H new ATOM 0 HA GLN A 12 0.821 -1.131 8.227 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.922 -1.382 9.528 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.413 -1.926 10.236 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.410 0.350 10.403 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.954 0.965 9.491 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.052 1.669 12.206 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.422 1.338 13.271 1.00 0.00 H new ATOM 207 N GLN A 13 -1.697 -3.011 7.217 1.00 0.00 N ATOM 208 CA GLN A 13 -2.065 -4.343 6.754 1.00 0.00 C ATOM 209 C GLN A 13 -1.193 -4.767 5.583 1.00 0.00 C ATOM 210 O GLN A 13 -0.709 -5.898 5.527 1.00 0.00 O ATOM 211 CB GLN A 13 -3.536 -4.379 6.342 1.00 0.00 C ATOM 212 CG GLN A 13 -4.018 -5.762 5.929 1.00 0.00 C ATOM 213 CD GLN A 13 -5.483 -5.781 5.556 1.00 0.00 C ATOM 214 OE1 GLN A 13 -6.347 -6.020 6.398 1.00 0.00 O ATOM 215 NE2 GLN A 13 -5.772 -5.521 4.291 1.00 0.00 N ATOM 0 H GLN A 13 -2.444 -2.320 7.148 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.909 -5.040 7.577 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.146 -4.023 7.172 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.690 -3.687 5.514 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.427 -6.111 5.082 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.846 -6.462 6.747 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.023 -5.328 3.626 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.744 -5.513 3.981 1.00 0.00 H new ATOM 224 N GLY A 14 -0.990 -3.843 4.659 1.00 0.00 N ATOM 225 CA GLY A 14 -0.163 -4.127 3.500 1.00 0.00 C ATOM 226 C GLY A 14 1.284 -4.354 3.874 1.00 0.00 C ATOM 227 O GLY A 14 1.907 -5.286 3.383 1.00 0.00 O ATOM 0 H GLY A 14 -1.381 -2.901 4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.547 -5.010 2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.229 -3.297 2.796 1.00 0.00 H new ATOM 231 N ILE A 15 1.813 -3.509 4.755 1.00 0.00 N ATOM 232 CA ILE A 15 3.182 -3.663 5.243 1.00 0.00 C ATOM 233 C ILE A 15 3.363 -5.024 5.911 1.00 0.00 C ATOM 234 O ILE A 15 4.374 -5.702 5.714 1.00 0.00 O ATOM 235 CB ILE A 15 3.552 -2.543 6.243 1.00 0.00 C ATOM 236 CG1 ILE A 15 3.630 -1.197 5.522 1.00 0.00 C ATOM 237 CG2 ILE A 15 4.869 -2.849 6.952 1.00 0.00 C ATOM 238 CD1 ILE A 15 3.970 -0.037 6.434 1.00 0.00 C ATOM 0 H ILE A 15 1.315 -2.710 5.146 1.00 0.00 H new ATOM 0 HA ILE A 15 3.846 -3.592 4.382 1.00 0.00 H new ATOM 0 HB ILE A 15 2.770 -2.492 7.001 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.380 -1.260 4.734 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.674 -0.999 5.037 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.103 -2.044 7.649 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.778 -3.787 7.499 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.668 -2.935 6.215 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.008 0.884 5.852 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.207 0.053 7.208 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.940 -0.212 6.899 1.00 0.00 H new ATOM 250 N LYS A 16 2.360 -5.420 6.683 1.00 0.00 N ATOM 251 CA LYS A 16 2.352 -6.718 7.342 1.00 0.00 C ATOM 252 C LYS A 16 2.466 -7.831 6.305 1.00 0.00 C ATOM 253 O LYS A 16 3.297 -8.729 6.425 1.00 0.00 O ATOM 254 CB LYS A 16 1.051 -6.859 8.132 1.00 0.00 C ATOM 255 CG LYS A 16 1.015 -8.025 9.105 1.00 0.00 C ATOM 256 CD LYS A 16 -0.262 -7.993 9.927 1.00 0.00 C ATOM 257 CE LYS A 16 -0.304 -9.103 10.966 1.00 0.00 C ATOM 258 NZ LYS A 16 -1.493 -8.977 11.852 1.00 0.00 N ATOM 0 H LYS A 16 1.533 -4.853 6.869 1.00 0.00 H new ATOM 0 HA LYS A 16 3.202 -6.795 8.021 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.878 -5.937 8.687 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.226 -6.967 7.428 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.078 -8.965 8.557 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.881 -7.982 9.766 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.347 -7.027 10.426 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.122 -8.086 9.263 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.323 -10.071 10.465 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.604 -9.074 11.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.490 -9.749 12.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.461 -8.064 12.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.360 -9.030 11.280 1.00 0.00 H new ATOM 272 N ILE A 17 1.646 -7.727 5.270 1.00 0.00 N ATOM 273 CA ILE A 17 1.655 -8.682 4.165 1.00 0.00 C ATOM 274 C ILE A 17 2.972 -8.622 3.396 1.00 0.00 C ATOM 275 O ILE A 17 3.514 -9.652 3.017 1.00 0.00 O ATOM 276 CB ILE A 17 0.474 -8.409 3.200 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.858 -8.661 3.912 1.00 0.00 C ATOM 278 CG2 ILE A 17 0.583 -9.271 1.945 1.00 0.00 C ATOM 279 CD1 ILE A 17 -2.074 -8.334 3.067 1.00 0.00 C ATOM 0 H ILE A 17 0.957 -6.982 5.170 1.00 0.00 H new ATOM 0 HA ILE A 17 1.547 -9.680 4.590 1.00 0.00 H new ATOM 0 HB ILE A 17 0.516 -7.364 2.893 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.907 -9.708 4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.890 -8.066 4.824 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.258 -9.060 1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.516 -9.045 1.428 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.569 -10.324 2.225 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.980 -8.538 3.638 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.050 -7.281 2.788 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.067 -8.948 2.167 1.00 0.00 H new ATOM 291 N LEU A 18 3.493 -7.418 3.179 1.00 0.00 N ATOM 292 CA LEU A 18 4.755 -7.248 2.462 1.00 0.00 C ATOM 293 C LEU A 18 5.894 -7.962 3.185 1.00 0.00 C ATOM 294 O LEU A 18 6.728 -8.609 2.554 1.00 0.00 O ATOM 295 CB LEU A 18 5.084 -5.764 2.293 1.00 0.00 C ATOM 296 CG LEU A 18 4.114 -4.985 1.401 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.493 -3.514 1.348 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.086 -5.580 -0.001 1.00 0.00 C ATOM 0 H LEU A 18 3.063 -6.546 3.488 1.00 0.00 H new ATOM 0 HA LEU A 18 4.642 -7.695 1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.104 -5.297 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.088 -5.675 1.878 1.00 0.00 H new ATOM 0 HG LEU A 18 3.116 -5.064 1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.790 -2.980 0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.461 -3.094 2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.500 -3.412 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.392 -5.015 -0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.084 -5.532 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.762 -6.620 0.051 1.00 0.00 H new ATOM 310 N LYS A 19 5.913 -7.857 4.507 1.00 0.00 N ATOM 311 CA LYS A 19 6.888 -8.562 5.316 1.00 0.00 C ATOM 312 C LYS A 19 6.688 -10.068 5.214 1.00 0.00 C ATOM 313 O LYS A 19 7.651 -10.838 5.167 1.00 0.00 O ATOM 314 CB LYS A 19 6.762 -8.117 6.761 1.00 0.00 C ATOM 315 CG LYS A 19 7.501 -6.827 7.058 1.00 0.00 C ATOM 316 CD LYS A 19 9.001 -6.967 6.823 1.00 0.00 C ATOM 317 CE LYS A 19 9.614 -8.012 7.745 1.00 0.00 C ATOM 318 NZ LYS A 19 9.486 -7.641 9.181 1.00 0.00 N ATOM 0 H LYS A 19 5.258 -7.286 5.041 1.00 0.00 H new ATOM 0 HA LYS A 19 7.886 -8.326 4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.707 -7.987 7.003 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.144 -8.904 7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.107 -6.029 6.428 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.321 -6.535 8.093 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.184 -7.244 5.785 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.487 -6.005 6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.128 -8.973 7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.668 -8.139 7.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.060 -8.288 9.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.819 -6.666 9.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.489 -7.710 9.470 1.00 0.00 H new ATOM 332 N GLU A 20 5.429 -10.472 5.175 1.00 0.00 N ATOM 333 CA GLU A 20 5.049 -11.855 5.067 1.00 0.00 C ATOM 334 C GLU A 20 5.424 -12.429 3.696 1.00 0.00 C ATOM 335 O GLU A 20 5.870 -13.571 3.588 1.00 0.00 O ATOM 336 CB GLU A 20 3.547 -11.929 5.329 1.00 0.00 C ATOM 337 CG GLU A 20 3.184 -11.805 6.802 1.00 0.00 C ATOM 338 CD GLU A 20 3.880 -12.825 7.688 1.00 0.00 C ATOM 339 OE1 GLU A 20 5.083 -12.642 7.991 1.00 0.00 O ATOM 340 OE2 GLU A 20 3.218 -13.796 8.111 1.00 0.00 O ATOM 0 H GLU A 20 4.636 -9.832 5.219 1.00 0.00 H new ATOM 0 HA GLU A 20 5.585 -12.462 5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.049 -11.136 4.772 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.165 -12.876 4.947 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.438 -10.803 7.147 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.105 -11.916 6.912 1.00 0.00 H new ATOM 347 N VAL A 21 5.258 -11.624 2.656 1.00 0.00 N ATOM 348 CA VAL A 21 5.643 -12.014 1.303 1.00 0.00 C ATOM 349 C VAL A 21 7.164 -12.036 1.161 1.00 0.00 C ATOM 350 O VAL A 21 7.716 -12.926 0.519 1.00 0.00 O ATOM 351 CB VAL A 21 5.029 -11.068 0.243 1.00 0.00 C ATOM 352 CG1 VAL A 21 5.521 -11.418 -1.153 1.00 0.00 C ATOM 353 CG2 VAL A 21 3.512 -11.127 0.296 1.00 0.00 C ATOM 0 H VAL A 21 4.856 -10.689 2.723 1.00 0.00 H new ATOM 0 HA VAL A 21 5.254 -13.017 1.130 1.00 0.00 H new ATOM 0 HB VAL A 21 5.350 -10.052 0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.074 -10.738 -1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.606 -11.325 -1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.236 -12.442 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.095 -10.456 -0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.180 -12.146 0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.170 -10.821 1.285 1.00 0.00 H new ATOM 363 N LEU A 22 7.834 -11.059 1.767 1.00 0.00 N ATOM 364 CA LEU A 22 9.295 -11.007 1.757 1.00 0.00 C ATOM 365 C LEU A 22 9.867 -12.272 2.390 1.00 0.00 C ATOM 366 O LEU A 22 10.887 -12.800 1.949 1.00 0.00 O ATOM 367 CB LEU A 22 9.792 -9.773 2.517 1.00 0.00 C ATOM 368 CG LEU A 22 11.306 -9.548 2.491 1.00 0.00 C ATOM 369 CD1 LEU A 22 11.789 -9.309 1.069 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.685 -8.377 3.385 1.00 0.00 C ATOM 0 H LEU A 22 7.389 -10.292 2.271 1.00 0.00 H new ATOM 0 HA LEU A 22 9.633 -10.940 0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.304 -8.891 2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.472 -9.855 3.556 1.00 0.00 H new ATOM 0 HG LEU A 22 11.792 -10.446 2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.868 -9.151 1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.551 -10.176 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.295 -8.428 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.765 -8.231 3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.187 -7.474 3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.376 -8.586 4.409 1.00 0.00 H new ATOM 382 N LYS A 23 9.189 -12.744 3.424 1.00 0.00 N ATOM 383 CA LYS A 23 9.534 -13.998 4.080 1.00 0.00 C ATOM 384 C LYS A 23 9.400 -15.150 3.093 1.00 0.00 C ATOM 385 O LYS A 23 10.304 -15.968 2.927 1.00 0.00 O ATOM 386 CB LYS A 23 8.584 -14.239 5.251 1.00 0.00 C ATOM 387 CG LYS A 23 9.133 -15.170 6.315 1.00 0.00 C ATOM 388 CD LYS A 23 8.026 -15.663 7.236 1.00 0.00 C ATOM 389 CE LYS A 23 8.585 -16.283 8.504 1.00 0.00 C ATOM 390 NZ LYS A 23 9.126 -15.251 9.427 1.00 0.00 N ATOM 0 H LYS A 23 8.384 -12.270 3.833 1.00 0.00 H new ATOM 0 HA LYS A 23 10.561 -13.940 4.440 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.343 -13.281 5.712 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.651 -14.653 4.868 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.622 -16.021 5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.893 -14.651 6.900 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.371 -14.831 7.496 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.415 -16.397 6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.802 -16.848 9.009 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.373 -16.990 8.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.295 -15.675 10.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.021 -14.881 9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.441 -14.474 9.518 1.00 0.00 H new ATOM 404 N LYS A 24 8.254 -15.183 2.435 1.00 0.00 N ATOM 405 CA LYS A 24 7.921 -16.238 1.483 1.00 0.00 C ATOM 406 C LYS A 24 8.786 -16.180 0.224 1.00 0.00 C ATOM 407 O LYS A 24 8.967 -17.192 -0.457 1.00 0.00 O ATOM 408 CB LYS A 24 6.442 -16.141 1.129 1.00 0.00 C ATOM 409 CG LYS A 24 5.541 -16.617 2.253 1.00 0.00 C ATOM 410 CD LYS A 24 4.081 -16.299 1.986 1.00 0.00 C ATOM 411 CE LYS A 24 3.172 -16.986 2.988 1.00 0.00 C ATOM 412 NZ LYS A 24 3.287 -18.467 2.893 1.00 0.00 N ATOM 0 H LYS A 24 7.524 -14.479 2.544 1.00 0.00 H new ATOM 0 HA LYS A 24 8.127 -17.199 1.954 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.198 -15.107 0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.246 -16.734 0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.660 -17.693 2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.849 -16.148 3.188 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.928 -15.221 2.033 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.817 -16.615 0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.429 -16.663 3.997 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.139 -16.687 2.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.382 -18.903 3.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.524 -18.735 1.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.035 -18.799 3.535 1.00 0.00 H new ATOM 426 N ALA A 25 9.318 -15.004 -0.083 1.00 0.00 N ATOM 427 CA ALA A 25 10.246 -14.855 -1.199 1.00 0.00 C ATOM 428 C ALA A 25 11.545 -15.595 -0.910 1.00 0.00 C ATOM 429 O ALA A 25 12.246 -16.031 -1.823 1.00 0.00 O ATOM 430 CB ALA A 25 10.524 -13.383 -1.476 1.00 0.00 C ATOM 0 H ALA A 25 9.124 -14.140 0.423 1.00 0.00 H new ATOM 0 HA ALA A 25 9.787 -15.289 -2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.218 -13.295 -2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.591 -12.877 -1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.962 -12.923 -0.590 1.00 0.00 H new ATOM 436 N LYS A 26 11.864 -15.718 0.371 1.00 0.00 N ATOM 437 CA LYS A 26 13.028 -16.476 0.806 1.00 0.00 C ATOM 438 C LYS A 26 12.740 -17.973 0.722 1.00 0.00 C ATOM 439 O LYS A 26 13.630 -18.773 0.429 1.00 0.00 O ATOM 440 CB LYS A 26 13.412 -16.066 2.227 1.00 0.00 C ATOM 441 CG LYS A 26 13.667 -14.573 2.354 1.00 0.00 C ATOM 442 CD LYS A 26 13.968 -14.165 3.781 1.00 0.00 C ATOM 443 CE LYS A 26 14.213 -12.668 3.879 1.00 0.00 C ATOM 444 NZ LYS A 26 15.368 -12.240 3.048 1.00 0.00 N ATOM 0 H LYS A 26 11.329 -15.299 1.131 1.00 0.00 H new ATOM 0 HA LYS A 26 13.869 -16.257 0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.615 -16.355 2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.306 -16.611 2.530 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.503 -14.293 1.713 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.795 -14.025 1.997 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.135 -14.444 4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.844 -14.705 4.140 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.319 -12.132 3.561 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.394 -12.397 4.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.652 -11.276 3.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.165 -12.891 3.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.097 -12.253 2.044 1.00 0.00 H new ATOM 458 N GLU A 27 11.487 -18.340 0.979 1.00 0.00 N ATOM 459 CA GLU A 27 11.029 -19.715 0.794 1.00 0.00 C ATOM 460 C GLU A 27 11.152 -20.107 -0.674 1.00 0.00 C ATOM 461 O GLU A 27 11.656 -21.179 -1.006 1.00 0.00 O ATOM 462 CB GLU A 27 9.575 -19.854 1.243 1.00 0.00 C ATOM 463 CG GLU A 27 9.356 -19.586 2.722 1.00 0.00 C ATOM 464 CD GLU A 27 9.957 -20.660 3.603 1.00 0.00 C ATOM 465 OE1 GLU A 27 9.357 -21.753 3.698 1.00 0.00 O ATOM 466 OE2 GLU A 27 11.021 -20.421 4.208 1.00 0.00 O ATOM 0 H GLU A 27 10.768 -17.701 1.318 1.00 0.00 H new ATOM 0 HA GLU A 27 11.650 -20.376 1.399 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.960 -19.165 0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.229 -20.861 1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.793 -18.622 2.981 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.287 -19.515 2.920 1.00 0.00 H new ATOM 473 N GLY A 28 10.678 -19.223 -1.543 1.00 0.00 N ATOM 474 CA GLY A 28 10.853 -19.409 -2.968 1.00 0.00 C ATOM 475 C GLY A 28 9.847 -20.363 -3.577 1.00 0.00 C ATOM 476 O GLY A 28 10.223 -21.348 -4.217 1.00 0.00 O ATOM 0 H GLY A 28 10.173 -18.376 -1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.774 -18.442 -3.466 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.859 -19.784 -3.157 1.00 0.00 H new ATOM 480 N ASP A 29 8.565 -20.092 -3.379 1.00 0.00 N ATOM 481 CA ASP A 29 7.530 -20.874 -4.040 1.00 0.00 C ATOM 482 C ASP A 29 6.975 -20.087 -5.212 1.00 0.00 C ATOM 483 O ASP A 29 6.296 -19.084 -5.031 1.00 0.00 O ATOM 484 CB ASP A 29 6.408 -21.259 -3.081 1.00 0.00 C ATOM 485 CG ASP A 29 5.443 -22.255 -3.704 1.00 0.00 C ATOM 486 OD1 ASP A 29 4.759 -21.904 -4.688 1.00 0.00 O ATOM 487 OD2 ASP A 29 5.369 -23.402 -3.215 1.00 0.00 O ATOM 0 H ASP A 29 8.219 -19.347 -2.774 1.00 0.00 H new ATOM 0 HA ASP A 29 7.980 -21.800 -4.397 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.837 -21.688 -2.175 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.863 -20.364 -2.783 1.00 0.00 H new ATOM 492 N GLU A 30 7.278 -20.566 -6.405 1.00 0.00 N ATOM 493 CA GLU A 30 6.954 -19.867 -7.646 1.00 0.00 C ATOM 494 C GLU A 30 5.474 -19.513 -7.739 1.00 0.00 C ATOM 495 O GLU A 30 5.111 -18.348 -7.921 1.00 0.00 O ATOM 496 CB GLU A 30 7.346 -20.734 -8.842 1.00 0.00 C ATOM 497 CG GLU A 30 8.811 -21.133 -8.852 1.00 0.00 C ATOM 498 CD GLU A 30 9.734 -19.948 -9.008 1.00 0.00 C ATOM 499 OE1 GLU A 30 9.834 -19.422 -10.132 1.00 0.00 O ATOM 500 OE2 GLU A 30 10.368 -19.544 -8.015 1.00 0.00 O ATOM 0 H GLU A 30 7.758 -21.455 -6.546 1.00 0.00 H new ATOM 0 HA GLU A 30 7.518 -18.935 -7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.733 -21.635 -8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.119 -20.194 -9.761 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.048 -21.654 -7.925 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.987 -21.836 -9.666 1.00 0.00 H new ATOM 507 N GLN A 31 4.624 -20.519 -7.603 1.00 0.00 N ATOM 508 CA GLN A 31 3.189 -20.329 -7.759 1.00 0.00 C ATOM 509 C GLN A 31 2.634 -19.470 -6.633 1.00 0.00 C ATOM 510 O GLN A 31 1.797 -18.591 -6.857 1.00 0.00 O ATOM 511 CB GLN A 31 2.483 -21.684 -7.780 1.00 0.00 C ATOM 512 CG GLN A 31 1.065 -21.626 -8.327 1.00 0.00 C ATOM 513 CD GLN A 31 0.425 -22.996 -8.446 1.00 0.00 C ATOM 514 OE1 GLN A 31 0.724 -23.909 -7.671 1.00 0.00 O ATOM 515 NE2 GLN A 31 -0.451 -23.152 -9.423 1.00 0.00 N ATOM 0 H GLN A 31 4.902 -21.476 -7.385 1.00 0.00 H new ATOM 0 HA GLN A 31 3.009 -19.816 -8.704 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.067 -22.379 -8.383 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.456 -22.086 -6.767 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.455 -21.000 -7.676 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.078 -21.149 -9.307 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.670 -22.371 -10.041 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.909 -24.053 -9.559 1.00 0.00 H new ATOM 524 N GLU A 32 3.111 -19.725 -5.426 1.00 0.00 N ATOM 525 CA GLU A 32 2.660 -18.983 -4.257 1.00 0.00 C ATOM 526 C GLU A 32 3.045 -17.509 -4.375 1.00 0.00 C ATOM 527 O GLU A 32 2.268 -16.636 -3.995 1.00 0.00 O ATOM 528 CB GLU A 32 3.231 -19.591 -2.975 1.00 0.00 C ATOM 529 CG GLU A 32 2.627 -19.013 -1.704 1.00 0.00 C ATOM 530 CD GLU A 32 2.985 -19.818 -0.471 1.00 0.00 C ATOM 531 OE1 GLU A 32 2.501 -20.962 -0.348 1.00 0.00 O ATOM 532 OE2 GLU A 32 3.729 -19.307 0.390 1.00 0.00 O ATOM 0 H GLU A 32 3.811 -20.440 -5.228 1.00 0.00 H new ATOM 0 HA GLU A 32 1.573 -19.050 -4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.065 -20.668 -2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.310 -19.435 -2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.972 -17.987 -1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.542 -18.975 -1.806 1.00 0.00 H new ATOM 539 N LEU A 33 4.237 -17.237 -4.907 1.00 0.00 N ATOM 540 CA LEU A 33 4.694 -15.865 -5.129 1.00 0.00 C ATOM 541 C LEU A 33 3.712 -15.101 -6.013 1.00 0.00 C ATOM 542 O LEU A 33 3.360 -13.958 -5.718 1.00 0.00 O ATOM 543 CB LEU A 33 6.092 -15.848 -5.763 1.00 0.00 C ATOM 544 CG LEU A 33 7.227 -16.330 -4.860 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.553 -16.262 -5.597 1.00 0.00 C ATOM 546 CD2 LEU A 33 7.285 -15.512 -3.581 1.00 0.00 C ATOM 0 H LEU A 33 4.906 -17.952 -5.193 1.00 0.00 H new ATOM 0 HA LEU A 33 4.746 -15.373 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.074 -16.469 -6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.314 -14.831 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 33 7.032 -17.368 -4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.352 -16.608 -4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.510 -16.896 -6.483 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.750 -15.233 -5.897 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.100 -15.874 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.454 -14.464 -3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.342 -15.611 -3.043 1.00 0.00 H new ATOM 558 N ALA A 34 3.255 -15.744 -7.083 1.00 0.00 N ATOM 559 CA ALA A 34 2.283 -15.134 -7.986 1.00 0.00 C ATOM 560 C ALA A 34 0.951 -14.914 -7.272 1.00 0.00 C ATOM 561 O ALA A 34 0.264 -13.918 -7.494 1.00 0.00 O ATOM 562 CB ALA A 34 2.087 -16.004 -9.221 1.00 0.00 C ATOM 0 H ALA A 34 3.541 -16.687 -7.347 1.00 0.00 H new ATOM 0 HA ALA A 34 2.668 -14.164 -8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.360 -15.536 -9.884 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.037 -16.113 -9.744 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.724 -16.987 -8.920 1.00 0.00 H new ATOM 568 N ARG A 35 0.603 -15.857 -6.409 1.00 0.00 N ATOM 569 CA ARG A 35 -0.613 -15.773 -5.608 1.00 0.00 C ATOM 570 C ARG A 35 -0.524 -14.611 -4.623 1.00 0.00 C ATOM 571 O ARG A 35 -1.459 -13.820 -4.485 1.00 0.00 O ATOM 572 CB ARG A 35 -0.812 -17.096 -4.870 1.00 0.00 C ATOM 573 CG ARG A 35 -2.041 -17.160 -3.978 1.00 0.00 C ATOM 574 CD ARG A 35 -2.261 -18.583 -3.492 1.00 0.00 C ATOM 575 NE ARG A 35 -3.287 -18.681 -2.458 1.00 0.00 N ATOM 576 CZ ARG A 35 -4.424 -19.364 -2.599 1.00 0.00 C ATOM 577 NH1 ARG A 35 -4.759 -19.882 -3.775 1.00 0.00 N ATOM 578 NH2 ARG A 35 -5.252 -19.491 -1.571 1.00 0.00 N ATOM 0 H ARG A 35 1.153 -16.700 -6.243 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.468 -15.591 -6.259 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.874 -17.898 -5.605 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.070 -17.290 -4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.916 -16.492 -3.126 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.917 -16.816 -4.528 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.544 -19.210 -4.337 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.322 -18.977 -3.103 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.125 -18.198 -1.574 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.145 -19.759 -4.580 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.631 -20.403 -3.873 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.019 -19.067 -0.673 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.122 -20.013 -1.678 1.00 0.00 H new ATOM 592 N LEU A 36 0.621 -14.514 -3.958 1.00 0.00 N ATOM 593 CA LEU A 36 0.904 -13.418 -3.033 1.00 0.00 C ATOM 594 C LEU A 36 0.836 -12.079 -3.753 1.00 0.00 C ATOM 595 O LEU A 36 0.342 -11.091 -3.214 1.00 0.00 O ATOM 596 CB LEU A 36 2.296 -13.590 -2.425 1.00 0.00 C ATOM 597 CG LEU A 36 2.505 -14.856 -1.599 1.00 0.00 C ATOM 598 CD1 LEU A 36 3.970 -15.003 -1.229 1.00 0.00 C ATOM 599 CD2 LEU A 36 1.640 -14.828 -0.349 1.00 0.00 C ATOM 0 H LEU A 36 1.380 -15.190 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 36 0.154 -13.438 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.029 -13.580 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.506 -12.727 -1.793 1.00 0.00 H new ATOM 0 HG LEU A 36 2.208 -15.716 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.107 -15.910 -0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.570 -15.066 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.286 -14.139 -0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.803 -15.739 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.906 -13.963 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.590 -14.762 -0.634 1.00 0.00 H new ATOM 611 N ASN A 37 1.341 -12.069 -4.978 1.00 0.00 N ATOM 612 CA ASN A 37 1.359 -10.875 -5.812 1.00 0.00 C ATOM 613 C ASN A 37 -0.043 -10.293 -5.972 1.00 0.00 C ATOM 614 O ASN A 37 -0.258 -9.096 -5.780 1.00 0.00 O ATOM 615 CB ASN A 37 1.935 -11.232 -7.179 1.00 0.00 C ATOM 616 CG ASN A 37 1.974 -10.060 -8.131 1.00 0.00 C ATOM 617 OD1 ASN A 37 1.014 -9.800 -8.860 1.00 0.00 O ATOM 618 ND2 ASN A 37 3.087 -9.350 -8.140 1.00 0.00 N ATOM 0 H ASN A 37 1.751 -12.890 -5.423 1.00 0.00 H new ATOM 0 HA ASN A 37 1.981 -10.120 -5.331 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.945 -11.621 -7.050 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.339 -12.031 -7.620 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.177 -8.551 -8.767 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.857 -9.601 -7.520 1.00 0.00 H new ATOM 625 N GLN A 38 -0.997 -11.158 -6.298 1.00 0.00 N ATOM 626 CA GLN A 38 -2.366 -10.759 -6.487 1.00 0.00 C ATOM 627 C GLN A 38 -2.980 -10.271 -5.178 1.00 0.00 C ATOM 628 O GLN A 38 -3.779 -9.334 -5.167 1.00 0.00 O ATOM 629 CB GLN A 38 -3.142 -11.946 -7.036 1.00 0.00 C ATOM 630 CG GLN A 38 -2.682 -12.395 -8.415 1.00 0.00 C ATOM 631 CD GLN A 38 -2.921 -11.351 -9.492 1.00 0.00 C ATOM 632 OE1 GLN A 38 -3.984 -11.319 -10.112 1.00 0.00 O ATOM 633 NE2 GLN A 38 -1.939 -10.492 -9.727 1.00 0.00 N ATOM 0 H GLN A 38 -0.831 -12.155 -6.436 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.410 -9.930 -7.193 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.049 -12.781 -6.342 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.200 -11.687 -7.083 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.619 -12.633 -8.377 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.204 -13.313 -8.685 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.072 -10.550 -9.193 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.050 -9.773 -10.442 1.00 0.00 H new ATOM 642 N GLU A 39 -2.592 -10.909 -4.080 1.00 0.00 N ATOM 643 CA GLU A 39 -3.070 -10.530 -2.754 1.00 0.00 C ATOM 644 C GLU A 39 -2.626 -9.108 -2.413 1.00 0.00 C ATOM 645 O GLU A 39 -3.400 -8.318 -1.866 1.00 0.00 O ATOM 646 CB GLU A 39 -2.547 -11.523 -1.714 1.00 0.00 C ATOM 647 CG GLU A 39 -3.035 -11.253 -0.299 1.00 0.00 C ATOM 648 CD GLU A 39 -2.567 -12.304 0.683 1.00 0.00 C ATOM 649 OE1 GLU A 39 -1.482 -12.140 1.271 1.00 0.00 O ATOM 650 OE2 GLU A 39 -3.286 -13.310 0.875 1.00 0.00 O ATOM 0 H GLU A 39 -1.943 -11.696 -4.082 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.160 -10.555 -2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.847 -12.530 -2.005 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.457 -11.501 -1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.680 -10.274 0.024 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.124 -11.215 -0.294 1.00 0.00 H new ATOM 657 N ILE A 40 -1.384 -8.784 -2.759 1.00 0.00 N ATOM 658 CA ILE A 40 -0.851 -7.441 -2.552 1.00 0.00 C ATOM 659 C ILE A 40 -1.663 -6.412 -3.337 1.00 0.00 C ATOM 660 O ILE A 40 -2.076 -5.387 -2.792 1.00 0.00 O ATOM 661 CB ILE A 40 0.632 -7.344 -2.975 1.00 0.00 C ATOM 662 CG1 ILE A 40 1.484 -8.328 -2.168 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.142 -5.921 -2.791 1.00 0.00 C ATOM 664 CD1 ILE A 40 2.935 -8.361 -2.591 1.00 0.00 C ATOM 0 H ILE A 40 -0.725 -9.436 -3.186 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.923 -7.230 -1.485 1.00 0.00 H new ATOM 0 HB ILE A 40 0.710 -7.606 -4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.428 -8.063 -1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.062 -9.328 -2.268 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.188 -5.867 -3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.552 -5.241 -3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.052 -5.635 -1.743 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.477 -9.080 -1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.002 -8.656 -3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.374 -7.371 -2.464 1.00 0.00 H new ATOM 676 N VAL A 41 -1.901 -6.705 -4.612 1.00 0.00 N ATOM 677 CA VAL A 41 -2.677 -5.814 -5.474 1.00 0.00 C ATOM 678 C VAL A 41 -4.097 -5.641 -4.931 1.00 0.00 C ATOM 679 O VAL A 41 -4.663 -4.549 -4.979 1.00 0.00 O ATOM 680 CB VAL A 41 -2.737 -6.345 -6.924 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.524 -5.399 -7.821 1.00 0.00 C ATOM 682 CG2 VAL A 41 -1.334 -6.556 -7.473 1.00 0.00 C ATOM 0 H VAL A 41 -1.568 -7.552 -5.073 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.174 -4.847 -5.481 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.253 -7.305 -6.910 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.550 -5.797 -8.835 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.542 -5.301 -7.443 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.044 -4.420 -7.828 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.396 -6.930 -8.495 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.794 -5.609 -7.465 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.806 -7.280 -6.853 1.00 0.00 H new ATOM 692 N LYS A 42 -4.658 -6.728 -4.408 1.00 0.00 N ATOM 693 CA LYS A 42 -5.988 -6.704 -3.812 1.00 0.00 C ATOM 694 C LYS A 42 -6.042 -5.726 -2.640 1.00 0.00 C ATOM 695 O LYS A 42 -6.995 -4.960 -2.501 1.00 0.00 O ATOM 696 CB LYS A 42 -6.372 -8.111 -3.347 1.00 0.00 C ATOM 697 CG LYS A 42 -7.748 -8.203 -2.706 1.00 0.00 C ATOM 698 CD LYS A 42 -8.021 -9.610 -2.201 1.00 0.00 C ATOM 699 CE LYS A 42 -9.373 -9.712 -1.517 1.00 0.00 C ATOM 700 NZ LYS A 42 -9.660 -11.100 -1.064 1.00 0.00 N ATOM 0 H LYS A 42 -4.207 -7.643 -4.386 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.700 -6.368 -4.565 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.336 -8.786 -4.202 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.627 -8.461 -2.633 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.816 -7.496 -1.879 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.511 -7.919 -3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.983 -10.310 -3.036 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.237 -9.904 -1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.399 -9.038 -0.661 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.154 -9.385 -2.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.591 -11.129 -0.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.660 -11.740 -1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.929 -11.403 -0.389 1.00 0.00 H new ATOM 714 N ALA A 43 -5.009 -5.752 -1.807 1.00 0.00 N ATOM 715 CA ALA A 43 -4.934 -4.867 -0.653 1.00 0.00 C ATOM 716 C ALA A 43 -4.876 -3.404 -1.084 1.00 0.00 C ATOM 717 O ALA A 43 -5.611 -2.562 -0.562 1.00 0.00 O ATOM 718 CB ALA A 43 -3.726 -5.218 0.197 1.00 0.00 C ATOM 0 H ALA A 43 -4.210 -6.378 -1.910 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.837 -5.005 -0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.680 -4.550 1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.811 -6.248 0.542 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.819 -5.108 -0.397 1.00 0.00 H new ATOM 724 N GLU A 44 -4.009 -3.118 -2.049 1.00 0.00 N ATOM 725 CA GLU A 44 -3.856 -1.767 -2.582 1.00 0.00 C ATOM 726 C GLU A 44 -5.172 -1.279 -3.182 1.00 0.00 C ATOM 727 O GLU A 44 -5.581 -0.139 -2.966 1.00 0.00 O ATOM 728 CB GLU A 44 -2.760 -1.741 -3.648 1.00 0.00 C ATOM 729 CG GLU A 44 -1.379 -2.104 -3.123 1.00 0.00 C ATOM 730 CD GLU A 44 -0.662 -0.947 -2.457 1.00 0.00 C ATOM 731 OE1 GLU A 44 -0.788 -0.749 -1.247 1.00 0.00 O ATOM 732 OE2 GLU A 44 0.086 -0.221 -3.134 1.00 0.00 O ATOM 0 H GLU A 44 -3.396 -3.809 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.574 -1.104 -1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.027 -2.433 -4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.720 -0.745 -4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.474 -2.922 -2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.770 -2.471 -3.949 1.00 0.00 H new ATOM 739 N LYS A 45 -5.838 -2.165 -3.917 1.00 0.00 N ATOM 740 CA LYS A 45 -7.109 -1.846 -4.563 1.00 0.00 C ATOM 741 C LYS A 45 -8.156 -1.422 -3.530 1.00 0.00 C ATOM 742 O LYS A 45 -8.928 -0.490 -3.758 1.00 0.00 O ATOM 743 CB LYS A 45 -7.609 -3.056 -5.361 1.00 0.00 C ATOM 744 CG LYS A 45 -8.876 -2.794 -6.162 1.00 0.00 C ATOM 745 CD LYS A 45 -9.350 -4.047 -6.892 1.00 0.00 C ATOM 746 CE LYS A 45 -8.315 -4.545 -7.896 1.00 0.00 C ATOM 747 NZ LYS A 45 -8.786 -5.743 -8.638 1.00 0.00 N ATOM 0 H LYS A 45 -5.515 -3.119 -4.081 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.949 -1.011 -5.245 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.822 -3.378 -6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.792 -3.881 -4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.663 -2.442 -5.494 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.692 -1.999 -6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.559 -4.833 -6.166 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.285 -3.834 -7.410 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.085 -3.748 -8.604 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.389 -4.784 -7.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.052 -6.047 -9.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.981 -6.513 -7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.655 -5.509 -9.159 1.00 0.00 H new ATOM 761 N GLN A 46 -8.170 -2.108 -2.393 1.00 0.00 N ATOM 762 CA GLN A 46 -9.083 -1.776 -1.305 1.00 0.00 C ATOM 763 C GLN A 46 -8.752 -0.402 -0.739 1.00 0.00 C ATOM 764 O GLN A 46 -9.635 0.438 -0.552 1.00 0.00 O ATOM 765 CB GLN A 46 -8.993 -2.831 -0.201 1.00 0.00 C ATOM 766 CG GLN A 46 -9.962 -2.609 0.951 1.00 0.00 C ATOM 767 CD GLN A 46 -11.409 -2.533 0.502 1.00 0.00 C ATOM 768 OE1 GLN A 46 -11.800 -3.142 -0.495 1.00 0.00 O ATOM 769 NE2 GLN A 46 -12.215 -1.794 1.244 1.00 0.00 N ATOM 0 H GLN A 46 -7.557 -2.900 -2.200 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.100 -1.759 -1.697 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.181 -3.813 -0.635 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.976 -2.845 0.191 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.853 -3.420 1.672 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.699 -1.686 1.467 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.850 -1.306 2.062 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.202 -1.712 0.999 1.00 0.00 H new ATOM 778 N GLY A 47 -7.469 -0.182 -0.492 1.00 0.00 N ATOM 779 CA GLY A 47 -7.012 1.089 0.044 1.00 0.00 C ATOM 780 C GLY A 47 -7.371 2.258 -0.854 1.00 0.00 C ATOM 781 O GLY A 47 -7.804 3.307 -0.375 1.00 0.00 O ATOM 0 H GLY A 47 -6.729 -0.865 -0.654 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.451 1.243 1.030 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.931 1.056 0.178 1.00 0.00 H new ATOM 785 N VAL A 48 -7.227 2.062 -2.163 1.00 0.00 N ATOM 786 CA VAL A 48 -7.547 3.096 -3.145 1.00 0.00 C ATOM 787 C VAL A 48 -8.989 3.575 -2.989 1.00 0.00 C ATOM 788 O VAL A 48 -9.272 4.770 -3.086 1.00 0.00 O ATOM 789 CB VAL A 48 -7.322 2.576 -4.586 1.00 0.00 C ATOM 790 CG1 VAL A 48 -7.930 3.516 -5.617 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.837 2.382 -4.853 1.00 0.00 C ATOM 0 H VAL A 48 -6.888 1.190 -2.570 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.878 3.938 -2.964 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.825 1.613 -4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.754 3.121 -6.618 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.003 3.601 -5.444 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.469 4.500 -5.529 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.695 2.016 -5.870 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.319 3.333 -4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.432 1.657 -4.147 1.00 0.00 H new ATOM 801 N LYS A 49 -9.888 2.642 -2.709 1.00 0.00 N ATOM 802 CA LYS A 49 -11.297 2.963 -2.537 1.00 0.00 C ATOM 803 C LYS A 49 -11.500 3.854 -1.315 1.00 0.00 C ATOM 804 O LYS A 49 -12.276 4.809 -1.349 1.00 0.00 O ATOM 805 CB LYS A 49 -12.106 1.675 -2.391 1.00 0.00 C ATOM 806 CG LYS A 49 -13.608 1.892 -2.347 1.00 0.00 C ATOM 807 CD LYS A 49 -14.359 0.572 -2.357 1.00 0.00 C ATOM 808 CE LYS A 49 -15.861 0.782 -2.255 1.00 0.00 C ATOM 809 NZ LYS A 49 -16.615 -0.495 -2.379 1.00 0.00 N ATOM 0 H LYS A 49 -9.665 1.653 -2.596 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.643 3.505 -3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.869 1.013 -3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.796 1.164 -1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.870 2.455 -1.451 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.915 2.494 -3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.128 0.029 -3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.020 -0.046 -1.526 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -16.097 1.250 -1.299 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -16.184 1.470 -3.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.635 -0.305 -2.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.411 -0.930 -3.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.327 -1.144 -1.619 1.00 0.00 H new ATOM 823 N VAL A 50 -10.791 3.536 -0.243 1.00 0.00 N ATOM 824 CA VAL A 50 -10.879 4.310 0.990 1.00 0.00 C ATOM 825 C VAL A 50 -10.335 5.725 0.785 1.00 0.00 C ATOM 826 O VAL A 50 -10.962 6.706 1.192 1.00 0.00 O ATOM 827 CB VAL A 50 -10.110 3.629 2.140 1.00 0.00 C ATOM 828 CG1 VAL A 50 -10.292 4.396 3.443 1.00 0.00 C ATOM 829 CG2 VAL A 50 -10.550 2.184 2.302 1.00 0.00 C ATOM 0 H VAL A 50 -10.147 2.746 -0.200 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.934 4.365 1.259 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.050 3.636 1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.740 3.896 4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.916 5.412 3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.351 4.429 3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.994 1.724 3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.616 2.151 2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.356 1.639 1.378 1.00 0.00 H new ATOM 839 N TYR A 51 -9.172 5.824 0.149 1.00 0.00 N ATOM 840 CA TYR A 51 -8.555 7.118 -0.131 1.00 0.00 C ATOM 841 C TYR A 51 -9.435 7.962 -1.048 1.00 0.00 C ATOM 842 O TYR A 51 -9.587 9.165 -0.840 1.00 0.00 O ATOM 843 CB TYR A 51 -7.172 6.927 -0.757 1.00 0.00 C ATOM 844 CG TYR A 51 -6.088 6.585 0.238 1.00 0.00 C ATOM 845 CD1 TYR A 51 -5.856 5.274 0.622 1.00 0.00 C ATOM 846 CD2 TYR A 51 -5.299 7.582 0.801 1.00 0.00 C ATOM 847 CE1 TYR A 51 -4.866 4.961 1.531 1.00 0.00 C ATOM 848 CE2 TYR A 51 -4.306 7.277 1.710 1.00 0.00 C ATOM 849 CZ TYR A 51 -4.097 5.966 2.075 1.00 0.00 C ATOM 850 OH TYR A 51 -3.118 5.657 2.984 1.00 0.00 O ATOM 0 H TYR A 51 -8.636 5.022 -0.183 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.445 7.647 0.816 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.229 6.135 -1.503 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.893 7.840 -1.283 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.460 4.483 0.203 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.466 8.612 0.522 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.695 3.933 1.815 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.697 8.062 2.132 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.081 4.685 3.107 1.00 0.00 H new ATOM 860 N LYS A 52 -10.020 7.323 -2.051 1.00 0.00 N ATOM 861 CA LYS A 52 -10.923 7.996 -2.977 1.00 0.00 C ATOM 862 C LYS A 52 -12.100 8.595 -2.213 1.00 0.00 C ATOM 863 O LYS A 52 -12.482 9.746 -2.428 1.00 0.00 O ATOM 864 CB LYS A 52 -11.409 6.986 -4.032 1.00 0.00 C ATOM 865 CG LYS A 52 -12.184 7.590 -5.201 1.00 0.00 C ATOM 866 CD LYS A 52 -13.636 7.870 -4.840 1.00 0.00 C ATOM 867 CE LYS A 52 -14.446 8.289 -6.054 1.00 0.00 C ATOM 868 NZ LYS A 52 -15.862 8.565 -5.698 1.00 0.00 N ATOM 0 H LYS A 52 -9.884 6.331 -2.246 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.399 8.808 -3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.544 6.453 -4.427 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.042 6.247 -3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.703 8.517 -5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.147 6.909 -6.051 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.079 6.978 -4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.678 8.656 -4.085 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.002 9.179 -6.499 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.406 7.503 -6.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -16.469 8.382 -6.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.149 7.947 -4.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -15.960 9.559 -5.410 1.00 0.00 H new ATOM 882 N GLU A 53 -12.650 7.800 -1.311 1.00 0.00 N ATOM 883 CA GLU A 53 -13.801 8.195 -0.510 1.00 0.00 C ATOM 884 C GLU A 53 -13.487 9.414 0.365 1.00 0.00 C ATOM 885 O GLU A 53 -14.306 10.327 0.492 1.00 0.00 O ATOM 886 CB GLU A 53 -14.223 7.007 0.358 1.00 0.00 C ATOM 887 CG GLU A 53 -15.665 6.571 0.161 1.00 0.00 C ATOM 888 CD GLU A 53 -16.641 7.418 0.942 1.00 0.00 C ATOM 889 OE1 GLU A 53 -16.923 7.075 2.114 1.00 0.00 O ATOM 890 OE2 GLU A 53 -17.114 8.441 0.408 1.00 0.00 O ATOM 0 H GLU A 53 -12.311 6.859 -1.111 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.615 8.480 -1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.568 6.163 0.142 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.074 7.266 1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.914 6.621 -0.899 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.770 5.529 0.464 1.00 0.00 H new ATOM 897 N ALA A 54 -12.311 9.410 0.980 1.00 0.00 N ATOM 898 CA ALA A 54 -11.879 10.514 1.843 1.00 0.00 C ATOM 899 C ALA A 54 -11.476 11.754 1.043 1.00 0.00 C ATOM 900 O ALA A 54 -11.672 12.878 1.500 1.00 0.00 O ATOM 901 CB ALA A 54 -10.730 10.062 2.733 1.00 0.00 C ATOM 0 H ALA A 54 -11.633 8.652 0.899 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.730 10.795 2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.416 10.889 3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.057 9.229 3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.892 9.744 2.112 1.00 0.00 H new ATOM 907 N ALA A 55 -10.904 11.546 -0.139 1.00 0.00 N ATOM 908 CA ALA A 55 -10.404 12.645 -0.968 1.00 0.00 C ATOM 909 C ALA A 55 -11.490 13.673 -1.268 1.00 0.00 C ATOM 910 O ALA A 55 -11.248 14.879 -1.210 1.00 0.00 O ATOM 911 CB ALA A 55 -9.821 12.109 -2.266 1.00 0.00 C ATOM 0 H ALA A 55 -10.773 10.621 -0.549 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.620 13.147 -0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.454 12.939 -2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.997 11.431 -2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.593 11.572 -2.817 1.00 0.00 H new ATOM 917 N GLU A 56 -12.689 13.193 -1.556 1.00 0.00 N ATOM 918 CA GLU A 56 -13.800 14.073 -1.899 1.00 0.00 C ATOM 919 C GLU A 56 -14.489 14.608 -0.642 1.00 0.00 C ATOM 920 O GLU A 56 -15.500 15.307 -0.722 1.00 0.00 O ATOM 921 CB GLU A 56 -14.795 13.342 -2.802 1.00 0.00 C ATOM 922 CG GLU A 56 -15.098 11.920 -2.357 1.00 0.00 C ATOM 923 CD GLU A 56 -16.098 11.229 -3.258 1.00 0.00 C ATOM 924 OE1 GLU A 56 -15.722 10.835 -4.382 1.00 0.00 O ATOM 925 OE2 GLU A 56 -17.269 11.073 -2.845 1.00 0.00 O ATOM 0 H GLU A 56 -12.920 12.200 -1.560 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.403 14.929 -2.445 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.726 13.909 -2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.400 13.319 -3.818 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.173 11.344 -2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.484 11.937 -1.338 1.00 0.00 H new ATOM 932 N LYS A 57 -13.927 14.279 0.514 1.00 0.00 N ATOM 933 CA LYS A 57 -14.413 14.790 1.787 1.00 0.00 C ATOM 934 C LYS A 57 -13.560 15.961 2.250 1.00 0.00 C ATOM 935 O LYS A 57 -13.929 16.697 3.167 1.00 0.00 O ATOM 936 CB LYS A 57 -14.382 13.692 2.847 1.00 0.00 C ATOM 937 CG LYS A 57 -15.477 12.659 2.710 1.00 0.00 C ATOM 938 CD LYS A 57 -15.561 11.798 3.959 1.00 0.00 C ATOM 939 CE LYS A 57 -16.543 10.661 3.783 1.00 0.00 C ATOM 940 NZ LYS A 57 -16.071 9.695 2.760 1.00 0.00 N ATOM 0 H LYS A 57 -13.125 13.653 0.595 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.440 15.127 1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.417 13.188 2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.456 14.153 3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.432 13.155 2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.284 12.030 1.841 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.575 11.396 4.192 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.863 12.413 4.807 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.683 10.148 4.734 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.515 11.059 3.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.185 8.726 3.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.630 9.810 1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.067 9.872 2.552 1.00 0.00 H new ATOM 954 N ALA A 58 -12.416 16.133 1.606 1.00 0.00 N ATOM 955 CA ALA A 58 -11.440 17.113 2.041 1.00 0.00 C ATOM 956 C ALA A 58 -11.848 18.541 1.689 1.00 0.00 C ATOM 957 O ALA A 58 -11.617 19.011 0.576 1.00 0.00 O ATOM 958 CB ALA A 58 -10.078 16.789 1.455 1.00 0.00 C ATOM 0 H ALA A 58 -12.143 15.604 0.778 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.389 17.058 3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.353 17.531 1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.764 15.800 1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.138 16.803 0.367 1.00 0.00 H new ATOM 964 N ARG A 59 -12.481 19.209 2.644 1.00 0.00 N ATOM 965 CA ARG A 59 -12.746 20.639 2.544 1.00 0.00 C ATOM 966 C ARG A 59 -11.434 21.405 2.694 1.00 0.00 C ATOM 967 O ARG A 59 -11.221 22.445 2.068 1.00 0.00 O ATOM 968 CB ARG A 59 -13.741 21.065 3.631 1.00 0.00 C ATOM 969 CG ARG A 59 -13.934 22.566 3.744 1.00 0.00 C ATOM 970 CD ARG A 59 -14.853 22.910 4.901 1.00 0.00 C ATOM 971 NE ARG A 59 -14.908 24.348 5.158 1.00 0.00 N ATOM 972 CZ ARG A 59 -15.080 24.883 6.366 1.00 0.00 C ATOM 973 NH1 ARG A 59 -15.239 24.100 7.433 1.00 0.00 N ATOM 974 NH2 ARG A 59 -15.116 26.204 6.497 1.00 0.00 N ATOM 0 H ARG A 59 -12.823 18.780 3.504 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.182 20.863 1.571 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -14.706 20.600 3.427 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -13.399 20.681 4.592 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.968 23.051 3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.352 22.954 2.815 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.857 22.543 4.686 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.511 22.396 5.799 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.809 24.980 4.364 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.229 23.086 7.327 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.370 24.515 8.355 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -15.012 26.801 5.676 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -15.247 26.622 7.418 1.00 0.00 H new ATOM 988 N ASN A 60 -10.560 20.866 3.533 1.00 0.00 N ATOM 989 CA ASN A 60 -9.243 21.442 3.756 1.00 0.00 C ATOM 990 C ASN A 60 -8.271 20.974 2.674 1.00 0.00 C ATOM 991 O ASN A 60 -8.120 19.772 2.443 1.00 0.00 O ATOM 992 CB ASN A 60 -8.728 21.049 5.145 1.00 0.00 C ATOM 993 CG ASN A 60 -7.280 21.441 5.365 1.00 0.00 C ATOM 994 OD1 ASN A 60 -6.372 20.654 5.108 1.00 0.00 O ATOM 995 ND2 ASN A 60 -7.060 22.655 5.838 1.00 0.00 N ATOM 0 H ASN A 60 -10.743 20.022 4.075 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.319 22.528 3.705 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.348 21.524 5.906 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.832 19.972 5.275 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.105 22.972 6.004 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.845 23.275 6.037 1.00 0.00 H new ATOM 1002 N PRO A 61 -7.609 21.926 1.994 1.00 0.00 N ATOM 1003 CA PRO A 61 -6.698 21.635 0.878 1.00 0.00 C ATOM 1004 C PRO A 61 -5.516 20.755 1.278 1.00 0.00 C ATOM 1005 O PRO A 61 -5.097 19.890 0.508 1.00 0.00 O ATOM 1006 CB PRO A 61 -6.204 23.017 0.439 1.00 0.00 C ATOM 1007 CG PRO A 61 -7.213 23.975 0.972 1.00 0.00 C ATOM 1008 CD PRO A 61 -7.705 23.370 2.254 1.00 0.00 C ATOM 0 HA PRO A 61 -7.207 21.076 0.093 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.212 23.226 0.838 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.131 23.084 -0.647 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.769 24.955 1.146 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.031 24.116 0.266 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.091 23.669 3.104 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.728 23.673 2.477 1.00 0.00 H new ATOM 1016 N GLU A 62 -4.990 20.965 2.480 1.00 0.00 N ATOM 1017 CA GLU A 62 -3.863 20.197 2.966 1.00 0.00 C ATOM 1018 C GLU A 62 -4.224 18.721 3.085 1.00 0.00 C ATOM 1019 O GLU A 62 -3.455 17.851 2.683 1.00 0.00 O ATOM 1020 CB GLU A 62 -3.403 20.753 4.311 1.00 0.00 C ATOM 1021 CG GLU A 62 -2.442 21.931 4.203 1.00 0.00 C ATOM 1022 CD GLU A 62 -3.023 23.114 3.451 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -3.640 23.989 4.090 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -2.854 23.179 2.214 1.00 0.00 O ATOM 0 H GLU A 62 -5.333 21.667 3.135 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.045 20.281 2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.278 21.063 4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.921 19.955 4.876 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.157 22.251 5.205 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.531 21.603 3.702 1.00 0.00 H new ATOM 1031 N LYS A 63 -5.413 18.447 3.615 1.00 0.00 N ATOM 1032 CA LYS A 63 -5.918 17.080 3.690 1.00 0.00 C ATOM 1033 C LYS A 63 -6.092 16.500 2.292 1.00 0.00 C ATOM 1034 O LYS A 63 -5.772 15.338 2.051 1.00 0.00 O ATOM 1035 CB LYS A 63 -7.258 17.026 4.437 1.00 0.00 C ATOM 1036 CG LYS A 63 -7.149 17.338 5.922 1.00 0.00 C ATOM 1037 CD LYS A 63 -8.506 17.311 6.619 1.00 0.00 C ATOM 1038 CE LYS A 63 -9.060 15.894 6.791 1.00 0.00 C ATOM 1039 NZ LYS A 63 -9.562 15.318 5.514 1.00 0.00 N ATOM 0 H LYS A 63 -6.043 19.152 3.998 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.188 16.486 4.240 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.948 17.733 3.977 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.691 16.033 4.315 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.485 16.615 6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.695 18.320 6.053 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.415 17.781 7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.216 17.906 6.044 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.279 15.249 7.194 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.869 15.910 7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.431 14.775 5.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.767 16.086 4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.839 14.689 5.109 1.00 0.00 H new ATOM 1053 N ARG A 64 -6.593 17.323 1.380 1.00 0.00 N ATOM 1054 CA ARG A 64 -6.836 16.898 0.008 1.00 0.00 C ATOM 1055 C ARG A 64 -5.542 16.465 -0.669 1.00 0.00 C ATOM 1056 O ARG A 64 -5.465 15.376 -1.228 1.00 0.00 O ATOM 1057 CB ARG A 64 -7.512 18.032 -0.782 1.00 0.00 C ATOM 1058 CG ARG A 64 -7.736 17.729 -2.264 1.00 0.00 C ATOM 1059 CD ARG A 64 -6.555 18.178 -3.118 1.00 0.00 C ATOM 1060 NE ARG A 64 -6.681 17.756 -4.510 1.00 0.00 N ATOM 1061 CZ ARG A 64 -5.871 18.164 -5.489 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -4.895 19.035 -5.233 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -6.040 17.696 -6.723 1.00 0.00 N ATOM 0 H ARG A 64 -6.840 18.295 1.568 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.504 16.037 0.027 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.474 18.255 -0.321 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.901 18.931 -0.697 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.894 16.659 -2.396 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.642 18.230 -2.605 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.473 19.264 -3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.633 17.772 -2.700 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.434 17.110 -4.749 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.765 19.392 -4.286 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.278 19.345 -5.984 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.786 17.028 -6.917 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.423 18.005 -7.475 1.00 0.00 H new ATOM 1077 N GLN A 65 -4.526 17.316 -0.592 1.00 0.00 N ATOM 1078 CA GLN A 65 -3.271 17.074 -1.292 1.00 0.00 C ATOM 1079 C GLN A 65 -2.599 15.798 -0.808 1.00 0.00 C ATOM 1080 O GLN A 65 -2.160 14.973 -1.611 1.00 0.00 O ATOM 1081 CB GLN A 65 -2.325 18.259 -1.106 1.00 0.00 C ATOM 1082 CG GLN A 65 -1.053 18.174 -1.938 1.00 0.00 C ATOM 1083 CD GLN A 65 -1.311 18.204 -3.434 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -2.353 17.765 -3.915 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -0.351 18.719 -4.184 1.00 0.00 N ATOM 0 H GLN A 65 -4.547 18.181 -0.051 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.501 16.956 -2.351 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.854 19.177 -1.363 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.054 18.332 -0.053 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.397 19.003 -1.673 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.523 17.255 -1.686 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.501 19.074 -3.749 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.462 18.761 -5.197 1.00 0.00 H new ATOM 1094 N VAL A 66 -2.531 15.639 0.504 1.00 0.00 N ATOM 1095 CA VAL A 66 -1.901 14.470 1.096 1.00 0.00 C ATOM 1096 C VAL A 66 -2.593 13.188 0.640 1.00 0.00 C ATOM 1097 O VAL A 66 -1.945 12.281 0.118 1.00 0.00 O ATOM 1098 CB VAL A 66 -1.907 14.542 2.640 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -1.326 13.273 3.247 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -1.130 15.759 3.120 1.00 0.00 C ATOM 0 H VAL A 66 -2.905 16.305 1.180 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.866 14.457 0.755 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.942 14.635 2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.342 13.349 4.334 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.921 12.415 2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.298 13.145 2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.145 15.794 4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.099 15.692 2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.589 16.664 2.722 1.00 0.00 H new ATOM 1110 N ILE A 67 -3.911 13.131 0.803 1.00 0.00 N ATOM 1111 CA ILE A 67 -4.681 11.948 0.429 1.00 0.00 C ATOM 1112 C ILE A 67 -4.575 11.679 -1.073 1.00 0.00 C ATOM 1113 O ILE A 67 -4.358 10.544 -1.496 1.00 0.00 O ATOM 1114 CB ILE A 67 -6.170 12.097 0.824 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -6.305 12.240 2.344 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -6.979 10.907 0.325 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -7.730 12.472 2.811 1.00 0.00 C ATOM 0 H ILE A 67 -4.469 13.891 1.192 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.258 11.103 0.973 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.564 12.998 0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.918 11.339 2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.683 13.070 2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.023 11.030 0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.906 10.847 -0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.587 9.990 0.766 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.747 12.563 3.897 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -8.115 13.389 2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.354 11.631 2.508 1.00 0.00 H new ATOM 1129 N ASP A 68 -4.699 12.739 -1.862 1.00 0.00 N ATOM 1130 CA ASP A 68 -4.679 12.632 -3.320 1.00 0.00 C ATOM 1131 C ASP A 68 -3.336 12.105 -3.817 1.00 0.00 C ATOM 1132 O ASP A 68 -3.277 11.181 -4.633 1.00 0.00 O ATOM 1133 CB ASP A 68 -4.960 14.005 -3.946 1.00 0.00 C ATOM 1134 CG ASP A 68 -5.218 13.931 -5.438 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -4.246 13.803 -6.210 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -6.396 14.023 -5.846 1.00 0.00 O ATOM 0 H ASP A 68 -4.816 13.691 -1.515 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.454 11.926 -3.619 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.824 14.453 -3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.111 14.664 -3.761 1.00 0.00 H new ATOM 1141 N LYS A 69 -2.254 12.688 -3.320 1.00 0.00 N ATOM 1142 CA LYS A 69 -0.919 12.308 -3.757 1.00 0.00 C ATOM 1143 C LYS A 69 -0.523 10.924 -3.250 1.00 0.00 C ATOM 1144 O LYS A 69 0.137 10.170 -3.968 1.00 0.00 O ATOM 1145 CB LYS A 69 0.103 13.369 -3.346 1.00 0.00 C ATOM 1146 CG LYS A 69 0.596 14.247 -4.498 1.00 0.00 C ATOM 1147 CD LYS A 69 -0.533 14.704 -5.425 1.00 0.00 C ATOM 1148 CE LYS A 69 -0.795 13.684 -6.532 1.00 0.00 C ATOM 1149 NZ LYS A 69 -1.952 14.053 -7.387 1.00 0.00 N ATOM 0 H LYS A 69 -2.275 13.425 -2.615 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.931 12.250 -4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.341 14.007 -2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.960 12.874 -2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.101 15.123 -4.090 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.335 13.694 -5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.443 14.855 -4.845 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.275 15.666 -5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.096 13.591 -7.153 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.976 12.706 -6.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.797 13.699 -8.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.819 13.631 -6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.051 15.088 -7.409 1.00 0.00 H new ATOM 1163 N ILE A 70 -0.932 10.572 -2.034 1.00 0.00 N ATOM 1164 CA ILE A 70 -0.693 9.224 -1.525 1.00 0.00 C ATOM 1165 C ILE A 70 -1.442 8.216 -2.386 1.00 0.00 C ATOM 1166 O ILE A 70 -0.932 7.136 -2.685 1.00 0.00 O ATOM 1167 CB ILE A 70 -1.108 9.066 -0.043 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -0.187 9.893 0.858 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -1.078 7.598 0.374 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -0.545 9.815 2.326 1.00 0.00 C ATOM 0 H ILE A 70 -1.424 11.192 -1.390 1.00 0.00 H new ATOM 0 HA ILE A 70 0.380 9.040 -1.576 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.129 9.433 0.067 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.840 9.552 0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.221 10.935 0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.373 7.511 1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.770 7.029 -0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.069 7.204 0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.150 10.425 2.903 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.560 10.184 2.473 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.483 8.780 2.661 1.00 0.00 H new ATOM 1182 N LEU A 71 -2.646 8.593 -2.802 1.00 0.00 N ATOM 1183 CA LEU A 71 -3.438 7.780 -3.709 1.00 0.00 C ATOM 1184 C LEU A 71 -2.652 7.500 -4.986 1.00 0.00 C ATOM 1185 O LEU A 71 -2.573 6.363 -5.440 1.00 0.00 O ATOM 1186 CB LEU A 71 -4.744 8.504 -4.053 1.00 0.00 C ATOM 1187 CG LEU A 71 -6.021 7.707 -3.804 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -7.240 8.518 -4.212 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -5.985 6.386 -4.552 1.00 0.00 C ATOM 0 H LEU A 71 -3.095 9.465 -2.521 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.670 6.833 -3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.792 9.425 -3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.714 8.791 -5.104 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.089 7.492 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.143 7.935 -4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.277 9.438 -3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.176 8.763 -5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.905 5.834 -4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.892 6.576 -5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.132 5.799 -4.212 1.00 0.00 H new ATOM 1201 N GLU A 72 -2.056 8.550 -5.541 1.00 0.00 N ATOM 1202 CA GLU A 72 -1.249 8.440 -6.754 1.00 0.00 C ATOM 1203 C GLU A 72 -0.091 7.470 -6.550 1.00 0.00 C ATOM 1204 O GLU A 72 0.234 6.682 -7.438 1.00 0.00 O ATOM 1205 CB GLU A 72 -0.708 9.815 -7.145 1.00 0.00 C ATOM 1206 CG GLU A 72 -0.099 9.865 -8.537 1.00 0.00 C ATOM 1207 CD GLU A 72 0.443 11.236 -8.888 1.00 0.00 C ATOM 1208 OE1 GLU A 72 1.587 11.543 -8.508 1.00 0.00 O ATOM 1209 OE2 GLU A 72 -0.271 12.011 -9.559 1.00 0.00 O ATOM 0 H GLU A 72 -2.117 9.497 -5.166 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.883 8.058 -7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.517 10.543 -7.087 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.046 10.118 -6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.705 9.133 -8.604 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.853 9.578 -9.270 1.00 0.00 H new ATOM 1216 N ASP A 73 0.531 7.536 -5.379 1.00 0.00 N ATOM 1217 CA ASP A 73 1.623 6.620 -5.048 1.00 0.00 C ATOM 1218 C ASP A 73 1.135 5.178 -4.997 1.00 0.00 C ATOM 1219 O ASP A 73 1.822 4.276 -5.465 1.00 0.00 O ATOM 1220 CB ASP A 73 2.301 6.988 -3.723 1.00 0.00 C ATOM 1221 CG ASP A 73 3.366 8.057 -3.885 1.00 0.00 C ATOM 1222 OD1 ASP A 73 4.310 7.851 -4.682 1.00 0.00 O ATOM 1223 OD2 ASP A 73 3.281 9.100 -3.197 1.00 0.00 O ATOM 0 H ASP A 73 0.303 8.207 -4.646 1.00 0.00 H new ATOM 0 HA ASP A 73 2.362 6.716 -5.843 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.546 7.337 -3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.752 6.095 -3.290 1.00 0.00 H new ATOM 1228 N GLU A 74 -0.051 4.957 -4.445 1.00 0.00 N ATOM 1229 CA GLU A 74 -0.618 3.613 -4.402 1.00 0.00 C ATOM 1230 C GLU A 74 -0.975 3.146 -5.814 1.00 0.00 C ATOM 1231 O GLU A 74 -0.790 1.976 -6.153 1.00 0.00 O ATOM 1232 CB GLU A 74 -1.845 3.556 -3.487 1.00 0.00 C ATOM 1233 CG GLU A 74 -1.567 3.942 -2.036 1.00 0.00 C ATOM 1234 CD GLU A 74 -0.615 2.995 -1.312 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -0.107 2.028 -1.929 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.358 3.219 -0.101 1.00 0.00 O ATOM 0 H GLU A 74 -0.634 5.681 -4.025 1.00 0.00 H new ATOM 0 HA GLU A 74 0.133 2.940 -3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.612 4.219 -3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.254 2.546 -3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.149 4.948 -2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.511 3.976 -1.493 1.00 0.00 H new ATOM 1243 N GLU A 75 -1.469 4.071 -6.643 1.00 0.00 N ATOM 1244 CA GLU A 75 -1.714 3.792 -8.056 1.00 0.00 C ATOM 1245 C GLU A 75 -0.417 3.345 -8.723 1.00 0.00 C ATOM 1246 O GLU A 75 -0.388 2.414 -9.534 1.00 0.00 O ATOM 1247 CB GLU A 75 -2.240 5.047 -8.772 1.00 0.00 C ATOM 1248 CG GLU A 75 -3.568 5.579 -8.252 1.00 0.00 C ATOM 1249 CD GLU A 75 -4.667 4.537 -8.221 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -4.514 3.479 -8.857 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -5.673 4.766 -7.522 1.00 0.00 O ATOM 0 H GLU A 75 -1.707 5.021 -6.356 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.462 3.002 -8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.492 5.835 -8.686 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.347 4.823 -9.833 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.423 5.973 -7.246 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.886 6.413 -8.878 1.00 0.00 H new ATOM 1258 N LYS A 76 0.654 4.026 -8.348 1.00 0.00 N ATOM 1259 CA LYS A 76 1.991 3.760 -8.853 1.00 0.00 C ATOM 1260 C LYS A 76 2.464 2.364 -8.447 1.00 0.00 C ATOM 1261 O LYS A 76 3.149 1.686 -9.209 1.00 0.00 O ATOM 1262 CB LYS A 76 2.931 4.824 -8.291 1.00 0.00 C ATOM 1263 CG LYS A 76 4.320 4.849 -8.895 1.00 0.00 C ATOM 1264 CD LYS A 76 5.177 5.897 -8.200 1.00 0.00 C ATOM 1265 CE LYS A 76 4.483 7.251 -8.183 1.00 0.00 C ATOM 1266 NZ LYS A 76 5.159 8.220 -7.284 1.00 0.00 N ATOM 0 H LYS A 76 0.618 4.791 -7.674 1.00 0.00 H new ATOM 0 HA LYS A 76 1.985 3.797 -9.942 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.473 5.802 -8.436 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.024 4.671 -7.216 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.784 3.867 -8.799 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.257 5.069 -9.961 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.387 5.580 -7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.136 5.983 -8.710 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.456 7.656 -9.195 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.449 7.123 -7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.050 9.181 -7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.731 8.172 -6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.170 7.986 -7.219 1.00 0.00 H new ATOM 1280 N HIS A 77 2.083 1.943 -7.248 1.00 0.00 N ATOM 1281 CA HIS A 77 2.468 0.633 -6.732 1.00 0.00 C ATOM 1282 C HIS A 77 1.817 -0.477 -7.542 1.00 0.00 C ATOM 1283 O HIS A 77 2.455 -1.486 -7.860 1.00 0.00 O ATOM 1284 CB HIS A 77 2.082 0.502 -5.259 1.00 0.00 C ATOM 1285 CG HIS A 77 2.797 1.467 -4.371 1.00 0.00 C ATOM 1286 ND1 HIS A 77 2.392 1.702 -3.074 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.893 2.213 -4.637 1.00 0.00 C ATOM 1288 CE1 HIS A 77 3.261 2.586 -2.595 1.00 0.00 C ATOM 1289 NE2 HIS A 77 4.180 2.920 -3.508 1.00 0.00 N ATOM 0 H HIS A 77 1.505 2.491 -6.611 1.00 0.00 H new ATOM 0 HA HIS A 77 3.550 0.539 -6.821 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.007 0.654 -5.158 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.293 -0.514 -4.924 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.597 1.287 -2.587 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.438 2.243 -5.569 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.229 2.986 -1.592 1.00 0.00 H new ATOM 1297 N ILE A 78 0.550 -0.289 -7.879 1.00 0.00 N ATOM 1298 CA ILE A 78 -0.155 -1.234 -8.727 1.00 0.00 C ATOM 1299 C ILE A 78 0.484 -1.259 -10.113 1.00 0.00 C ATOM 1300 O ILE A 78 0.647 -2.317 -10.721 1.00 0.00 O ATOM 1301 CB ILE A 78 -1.652 -0.878 -8.849 1.00 0.00 C ATOM 1302 CG1 ILE A 78 -2.297 -0.839 -7.458 1.00 0.00 C ATOM 1303 CG2 ILE A 78 -2.373 -1.879 -9.745 1.00 0.00 C ATOM 1304 CD1 ILE A 78 -3.758 -0.440 -7.469 1.00 0.00 C ATOM 0 H ILE A 78 -0.009 0.509 -7.578 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.080 -2.220 -8.268 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.739 0.108 -9.305 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.203 -1.822 -6.997 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.744 -0.139 -6.832 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.427 -1.610 -9.817 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.926 -1.865 -10.739 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.283 -2.879 -9.320 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.142 -0.436 -6.449 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.860 0.556 -7.899 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.325 -1.153 -8.067 1.00 0.00 H new ATOM 1316 N GLU A 79 0.872 -0.080 -10.586 1.00 0.00 N ATOM 1317 CA GLU A 79 1.557 0.068 -11.855 1.00 0.00 C ATOM 1318 C GLU A 79 2.884 -0.698 -11.849 1.00 0.00 C ATOM 1319 O GLU A 79 3.236 -1.359 -12.829 1.00 0.00 O ATOM 1320 CB GLU A 79 1.786 1.558 -12.104 1.00 0.00 C ATOM 1321 CG GLU A 79 2.540 1.882 -13.376 1.00 0.00 C ATOM 1322 CD GLU A 79 1.809 1.448 -14.630 1.00 0.00 C ATOM 1323 OE1 GLU A 79 0.627 1.812 -14.790 1.00 0.00 O ATOM 1324 OE2 GLU A 79 2.428 0.765 -15.478 1.00 0.00 O ATOM 0 H GLU A 79 0.717 0.800 -10.095 1.00 0.00 H new ATOM 0 HA GLU A 79 0.949 -0.350 -12.657 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.819 2.060 -12.134 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.334 1.973 -11.258 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.719 2.956 -13.421 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.516 1.397 -13.346 1.00 0.00 H new ATOM 1331 N TRP A 80 3.617 -0.609 -10.740 1.00 0.00 N ATOM 1332 CA TRP A 80 4.865 -1.348 -10.585 1.00 0.00 C ATOM 1333 C TRP A 80 4.609 -2.848 -10.630 1.00 0.00 C ATOM 1334 O TRP A 80 5.316 -3.590 -11.315 1.00 0.00 O ATOM 1335 CB TRP A 80 5.553 -1.003 -9.260 1.00 0.00 C ATOM 1336 CG TRP A 80 6.109 0.392 -9.187 1.00 0.00 C ATOM 1337 CD1 TRP A 80 6.271 1.273 -10.215 1.00 0.00 C ATOM 1338 CD2 TRP A 80 6.596 1.048 -8.013 1.00 0.00 C ATOM 1339 NE1 TRP A 80 6.820 2.443 -9.747 1.00 0.00 N ATOM 1340 CE2 TRP A 80 7.027 2.330 -8.398 1.00 0.00 C ATOM 1341 CE3 TRP A 80 6.703 0.677 -6.667 1.00 0.00 C ATOM 1342 CZ2 TRP A 80 7.557 3.241 -7.487 1.00 0.00 C ATOM 1343 CZ3 TRP A 80 7.229 1.581 -5.767 1.00 0.00 C ATOM 1344 CH2 TRP A 80 7.651 2.850 -6.180 1.00 0.00 C ATOM 0 H TRP A 80 3.367 -0.032 -9.937 1.00 0.00 H new ATOM 0 HA TRP A 80 5.516 -1.061 -11.411 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.838 -1.138 -8.449 1.00 0.00 H new ATOM 0 HB3 TRP A 80 6.363 -1.712 -9.091 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.007 1.080 -11.244 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.038 3.263 -10.313 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.379 -0.300 -6.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.882 4.222 -7.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.317 1.305 -4.727 1.00 0.00 H new ATOM 0 HH2 TRP A 80 8.059 3.535 -5.451 1.00 0.00 H new ATOM 1355 N HIS A 81 3.585 -3.287 -9.906 1.00 0.00 N ATOM 1356 CA HIS A 81 3.261 -4.704 -9.820 1.00 0.00 C ATOM 1357 C HIS A 81 2.817 -5.253 -11.170 1.00 0.00 C ATOM 1358 O HIS A 81 3.287 -6.306 -11.597 1.00 0.00 O ATOM 1359 CB HIS A 81 2.185 -4.946 -8.756 1.00 0.00 C ATOM 1360 CG HIS A 81 2.744 -5.291 -7.408 1.00 0.00 C ATOM 1361 ND1 HIS A 81 3.436 -4.410 -6.604 1.00 0.00 N ATOM 1362 CD2 HIS A 81 2.728 -6.470 -6.736 1.00 0.00 C ATOM 1363 CE1 HIS A 81 3.817 -5.072 -5.500 1.00 0.00 C ATOM 1364 NE2 HIS A 81 3.407 -6.323 -5.532 1.00 0.00 N ATOM 0 H HIS A 81 2.965 -2.680 -9.370 1.00 0.00 H new ATOM 0 HA HIS A 81 4.165 -5.237 -9.526 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.567 -4.053 -8.666 1.00 0.00 H new ATOM 0 HB3 HIS A 81 1.532 -5.754 -9.088 1.00 0.00 H new ATOM 0 HD1 HIS A 81 3.625 -3.429 -6.811 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.261 -7.380 -7.082 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.385 -4.636 -4.692 1.00 0.00 H new ATOM 1372 N LYS A 82 1.943 -4.528 -11.852 1.00 0.00 N ATOM 1373 CA LYS A 82 1.440 -4.958 -13.152 1.00 0.00 C ATOM 1374 C LYS A 82 2.563 -5.044 -14.182 1.00 0.00 C ATOM 1375 O LYS A 82 2.550 -5.911 -15.059 1.00 0.00 O ATOM 1376 CB LYS A 82 0.336 -4.021 -13.640 1.00 0.00 C ATOM 1377 CG LYS A 82 -0.964 -4.172 -12.870 1.00 0.00 C ATOM 1378 CD LYS A 82 -1.577 -5.545 -13.088 1.00 0.00 C ATOM 1379 CE LYS A 82 -2.851 -5.729 -12.278 1.00 0.00 C ATOM 1380 NZ LYS A 82 -3.532 -7.012 -12.601 1.00 0.00 N ATOM 0 H LYS A 82 1.566 -3.638 -11.528 1.00 0.00 H new ATOM 0 HA LYS A 82 1.020 -5.957 -13.031 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.681 -2.990 -13.558 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.148 -4.211 -14.697 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.780 -4.018 -11.807 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.668 -3.402 -13.186 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.797 -5.681 -14.147 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.856 -6.314 -12.811 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.613 -5.702 -11.215 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.529 -4.898 -12.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.396 -7.100 -12.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.782 -7.028 -13.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.894 -7.806 -12.390 1.00 0.00 H new ATOM 1394 N ALA A 83 3.531 -4.145 -14.082 1.00 0.00 N ATOM 1395 CA ALA A 83 4.648 -4.134 -15.013 1.00 0.00 C ATOM 1396 C ALA A 83 5.585 -5.314 -14.775 1.00 0.00 C ATOM 1397 O ALA A 83 5.901 -6.057 -15.702 1.00 0.00 O ATOM 1398 CB ALA A 83 5.417 -2.827 -14.897 1.00 0.00 C ATOM 0 H ALA A 83 3.565 -3.417 -13.369 1.00 0.00 H new ATOM 0 HA ALA A 83 4.242 -4.224 -16.020 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.251 -2.832 -15.599 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.754 -1.993 -15.127 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.799 -2.718 -13.882 1.00 0.00 H new ATOM 1404 N ALA A 84 5.992 -5.497 -13.524 1.00 0.00 N ATOM 1405 CA ALA A 84 6.992 -6.505 -13.178 1.00 0.00 C ATOM 1406 C ALA A 84 6.452 -7.929 -13.284 1.00 0.00 C ATOM 1407 O ALA A 84 7.178 -8.850 -13.671 1.00 0.00 O ATOM 1408 CB ALA A 84 7.532 -6.251 -11.779 1.00 0.00 C ATOM 0 H ALA A 84 5.645 -4.960 -12.729 1.00 0.00 H new ATOM 0 HA ALA A 84 7.800 -6.415 -13.904 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.276 -7.009 -11.533 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.993 -5.264 -11.741 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.715 -6.298 -11.059 1.00 0.00 H new ATOM 1485 N ALA A 90 11.084 -14.073 -8.359 1.00 0.00 N ATOM 1486 CA ALA A 90 12.000 -14.271 -7.228 1.00 0.00 C ATOM 1487 C ALA A 90 12.826 -13.027 -6.882 1.00 0.00 C ATOM 1488 O ALA A 90 12.397 -12.203 -6.074 1.00 0.00 O ATOM 1489 CB ALA A 90 12.903 -15.471 -7.479 1.00 0.00 C ATOM 0 HA ALA A 90 11.375 -14.466 -6.356 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.576 -15.604 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.293 -16.366 -7.602 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.488 -15.303 -8.383 1.00 0.00 H new ATOM 1495 N GLU A 91 13.997 -12.885 -7.500 1.00 0.00 N ATOM 1496 CA GLU A 91 14.903 -11.788 -7.204 1.00 0.00 C ATOM 1497 C GLU A 91 14.258 -10.442 -7.506 1.00 0.00 C ATOM 1498 O GLU A 91 14.266 -9.534 -6.673 1.00 0.00 O ATOM 1499 CB GLU A 91 16.184 -11.934 -8.025 1.00 0.00 C ATOM 1500 CG GLU A 91 16.962 -13.208 -7.737 1.00 0.00 C ATOM 1501 CD GLU A 91 16.702 -14.300 -8.756 1.00 0.00 C ATOM 1502 OE1 GLU A 91 15.529 -14.675 -8.957 1.00 0.00 O ATOM 1503 OE2 GLU A 91 17.679 -14.794 -9.356 1.00 0.00 O ATOM 0 H GLU A 91 14.339 -13.526 -8.216 1.00 0.00 H new ATOM 0 HA GLU A 91 15.140 -11.826 -6.141 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.929 -11.908 -9.084 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.827 -11.076 -7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 91 18.028 -12.981 -7.719 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.697 -13.573 -6.745 1.00 0.00 H new ATOM 1510 N GLN A 92 13.689 -10.331 -8.693 1.00 0.00 N ATOM 1511 CA GLN A 92 13.001 -9.111 -9.098 1.00 0.00 C ATOM 1512 C GLN A 92 11.725 -8.931 -8.286 1.00 0.00 C ATOM 1513 O GLN A 92 11.304 -7.807 -8.011 1.00 0.00 O ATOM 1514 CB GLN A 92 12.679 -9.149 -10.596 1.00 0.00 C ATOM 1515 CG GLN A 92 13.917 -9.208 -11.478 1.00 0.00 C ATOM 1516 CD GLN A 92 14.823 -8.001 -11.296 1.00 0.00 C ATOM 1517 OE1 GLN A 92 15.709 -8.001 -10.440 1.00 0.00 O ATOM 1518 NE2 GLN A 92 14.622 -6.973 -12.107 1.00 0.00 N ATOM 0 H GLN A 92 13.688 -11.070 -9.396 1.00 0.00 H new ATOM 0 HA GLN A 92 13.658 -8.263 -8.908 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.052 -10.016 -10.804 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.097 -8.265 -10.858 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.477 -10.115 -11.251 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.612 -9.274 -12.522 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.878 -7.011 -12.803 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.212 -6.144 -12.035 1.00 0.00 H new ATOM 1527 N PHE A 93 11.131 -10.048 -7.883 1.00 0.00 N ATOM 1528 CA PHE A 93 9.900 -10.026 -7.105 1.00 0.00 C ATOM 1529 C PHE A 93 10.149 -9.408 -5.731 1.00 0.00 C ATOM 1530 O PHE A 93 9.409 -8.528 -5.289 1.00 0.00 O ATOM 1531 CB PHE A 93 9.347 -11.447 -6.955 1.00 0.00 C ATOM 1532 CG PHE A 93 7.993 -11.507 -6.304 1.00 0.00 C ATOM 1533 CD1 PHE A 93 6.854 -11.168 -7.016 1.00 0.00 C ATOM 1534 CD2 PHE A 93 7.860 -11.905 -4.983 1.00 0.00 C ATOM 1535 CE1 PHE A 93 5.609 -11.231 -6.425 1.00 0.00 C ATOM 1536 CE2 PHE A 93 6.615 -11.970 -4.388 1.00 0.00 C ATOM 1537 CZ PHE A 93 5.488 -11.628 -5.109 1.00 0.00 C ATOM 0 H PHE A 93 11.484 -10.984 -8.084 1.00 0.00 H new ATOM 0 HA PHE A 93 9.166 -9.416 -7.631 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.287 -11.909 -7.940 1.00 0.00 H new ATOM 0 HB3 PHE A 93 10.049 -12.039 -6.368 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.942 -10.851 -8.045 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.739 -12.167 -4.413 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.728 -10.969 -6.993 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.523 -12.288 -3.360 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.514 -11.671 -4.644 1.00 0.00 H new ATOM 1547 N ALA A 94 11.204 -9.866 -5.065 1.00 0.00 N ATOM 1548 CA ALA A 94 11.568 -9.354 -3.750 1.00 0.00 C ATOM 1549 C ALA A 94 11.936 -7.876 -3.825 1.00 0.00 C ATOM 1550 O ALA A 94 11.605 -7.097 -2.931 1.00 0.00 O ATOM 1551 CB ALA A 94 12.719 -10.162 -3.165 1.00 0.00 C ATOM 0 H ALA A 94 11.825 -10.595 -5.417 1.00 0.00 H new ATOM 0 HA ALA A 94 10.704 -9.455 -3.094 1.00 0.00 H new ATOM 0 HB1 ALA A 94 12.979 -9.767 -2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 94 12.419 -11.205 -3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 94 13.584 -10.093 -3.824 1.00 0.00 H new ATOM 1557 N SER A 95 12.610 -7.497 -4.905 1.00 0.00 N ATOM 1558 CA SER A 95 12.996 -6.118 -5.127 1.00 0.00 C ATOM 1559 C SER A 95 11.763 -5.223 -5.258 1.00 0.00 C ATOM 1560 O SER A 95 11.723 -4.113 -4.722 1.00 0.00 O ATOM 1561 CB SER A 95 13.857 -6.035 -6.386 1.00 0.00 C ATOM 1562 OG SER A 95 14.994 -6.878 -6.278 1.00 0.00 O ATOM 0 H SER A 95 12.900 -8.137 -5.644 1.00 0.00 H new ATOM 0 HA SER A 95 13.572 -5.765 -4.271 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.266 -6.324 -7.255 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.177 -5.005 -6.546 1.00 0.00 H new ATOM 0 HG SER A 95 14.727 -7.808 -6.433 1.00 0.00 H new ATOM 1568 N LEU A 96 10.749 -5.726 -5.957 1.00 0.00 N ATOM 1569 CA LEU A 96 9.499 -4.999 -6.142 1.00 0.00 C ATOM 1570 C LEU A 96 8.814 -4.763 -4.800 1.00 0.00 C ATOM 1571 O LEU A 96 8.393 -3.649 -4.488 1.00 0.00 O ATOM 1572 CB LEU A 96 8.571 -5.800 -7.059 1.00 0.00 C ATOM 1573 CG LEU A 96 7.207 -5.163 -7.333 1.00 0.00 C ATOM 1574 CD1 LEU A 96 7.364 -3.874 -8.123 1.00 0.00 C ATOM 1575 CD2 LEU A 96 6.308 -6.140 -8.075 1.00 0.00 C ATOM 0 H LEU A 96 10.771 -6.641 -6.407 1.00 0.00 H new ATOM 0 HA LEU A 96 9.719 -4.033 -6.596 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.077 -5.958 -8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.411 -6.783 -6.616 1.00 0.00 H new ATOM 0 HG LEU A 96 6.742 -4.920 -6.378 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.382 -3.438 -8.307 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.973 -3.171 -7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.850 -4.088 -9.075 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.341 -5.674 -8.263 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.771 -6.412 -9.024 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.167 -7.036 -7.470 1.00 0.00 H new ATOM 1587 N VAL A 97 8.729 -5.820 -4.007 1.00 0.00 N ATOM 1588 CA VAL A 97 8.077 -5.758 -2.706 1.00 0.00 C ATOM 1589 C VAL A 97 8.851 -4.862 -1.741 1.00 0.00 C ATOM 1590 O VAL A 97 8.255 -4.115 -0.960 1.00 0.00 O ATOM 1591 CB VAL A 97 7.904 -7.170 -2.098 1.00 0.00 C ATOM 1592 CG1 VAL A 97 7.330 -7.100 -0.690 1.00 0.00 C ATOM 1593 CG2 VAL A 97 7.011 -8.012 -2.995 1.00 0.00 C ATOM 0 H VAL A 97 9.106 -6.738 -4.243 1.00 0.00 H new ATOM 0 HA VAL A 97 7.088 -5.325 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 97 8.887 -7.637 -2.031 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.221 -8.108 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.003 -6.528 -0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.355 -6.613 -0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 97 6.893 -9.005 -2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.034 -7.537 -3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.465 -8.099 -3.982 1.00 0.00 H new ATOM 1603 N GLN A 98 10.175 -4.920 -1.812 1.00 0.00 N ATOM 1604 CA GLN A 98 11.019 -4.110 -0.942 1.00 0.00 C ATOM 1605 C GLN A 98 10.830 -2.621 -1.241 1.00 0.00 C ATOM 1606 O GLN A 98 10.751 -1.802 -0.323 1.00 0.00 O ATOM 1607 CB GLN A 98 12.490 -4.512 -1.098 1.00 0.00 C ATOM 1608 CG GLN A 98 13.422 -3.814 -0.118 1.00 0.00 C ATOM 1609 CD GLN A 98 14.828 -4.374 -0.151 1.00 0.00 C ATOM 1610 OE1 GLN A 98 15.678 -3.914 -0.914 1.00 0.00 O ATOM 1611 NE2 GLN A 98 15.086 -5.367 0.685 1.00 0.00 N ATOM 0 H GLN A 98 10.687 -5.518 -2.461 1.00 0.00 H new ATOM 0 HA GLN A 98 10.722 -4.289 0.091 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.579 -5.590 -0.965 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.813 -4.288 -2.115 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.454 -2.749 -0.348 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.020 -3.910 0.891 1.00 0.00 H new ATOM 0 HE21 GLN A 98 14.353 -5.719 1.301 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.018 -5.780 0.714 1.00 0.00 H new ATOM 1620 N GLN A 99 10.742 -2.278 -2.523 1.00 0.00 N ATOM 1621 CA GLN A 99 10.490 -0.897 -2.926 1.00 0.00 C ATOM 1622 C GLN A 99 9.087 -0.462 -2.524 1.00 0.00 C ATOM 1623 O GLN A 99 8.873 0.677 -2.103 1.00 0.00 O ATOM 1624 CB GLN A 99 10.681 -0.726 -4.435 1.00 0.00 C ATOM 1625 CG GLN A 99 12.132 -0.559 -4.857 1.00 0.00 C ATOM 1626 CD GLN A 99 12.733 0.754 -4.379 1.00 0.00 C ATOM 1627 OE1 GLN A 99 12.366 1.281 -3.329 1.00 0.00 O ATOM 1628 NE2 GLN A 99 13.659 1.297 -5.152 1.00 0.00 N ATOM 0 H GLN A 99 10.841 -2.934 -3.298 1.00 0.00 H new ATOM 0 HA GLN A 99 11.211 -0.263 -2.410 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.262 -1.593 -4.945 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.114 0.144 -4.767 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.719 -1.388 -4.462 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.199 -0.610 -5.944 1.00 0.00 H new ATOM 0 HE21 GLN A 99 13.939 0.832 -6.016 1.00 0.00 H new ATOM 0 HE22 GLN A 99 14.093 2.180 -4.884 1.00 0.00 H new ATOM 1637 N HIS A 100 8.138 -1.379 -2.649 1.00 0.00 N ATOM 1638 CA HIS A 100 6.765 -1.123 -2.237 1.00 0.00 C ATOM 1639 C HIS A 100 6.722 -0.826 -0.739 1.00 0.00 C ATOM 1640 O HIS A 100 6.073 0.123 -0.300 1.00 0.00 O ATOM 1641 CB HIS A 100 5.878 -2.331 -2.573 1.00 0.00 C ATOM 1642 CG HIS A 100 4.416 -2.102 -2.339 1.00 0.00 C ATOM 1643 ND1 HIS A 100 3.502 -3.107 -2.127 1.00 0.00 N ATOM 1644 CD2 HIS A 100 3.712 -0.946 -2.314 1.00 0.00 C ATOM 1645 CE1 HIS A 100 2.295 -2.543 -1.983 1.00 0.00 C ATOM 1646 NE2 HIS A 100 2.368 -1.229 -2.090 1.00 0.00 N ATOM 0 H HIS A 100 8.295 -2.310 -3.034 1.00 0.00 H new ATOM 0 HA HIS A 100 6.384 -0.256 -2.777 1.00 0.00 H new ATOM 0 HB2 HIS A 100 6.030 -2.600 -3.618 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.201 -3.183 -1.975 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.128 0.042 -2.447 1.00 0.00 H new ATOM 0 HE1 HIS A 100 1.382 -3.091 -1.803 1.00 0.00 H new ATOM 0 HE2 HIS A 100 1.600 -0.561 -2.023 1.00 0.00 H new ATOM 1654 N LEU A 101 7.438 -1.640 0.028 1.00 0.00 N ATOM 1655 CA LEU A 101 7.512 -1.485 1.477 1.00 0.00 C ATOM 1656 C LEU A 101 8.050 -0.108 1.856 1.00 0.00 C ATOM 1657 O LEU A 101 7.540 0.538 2.774 1.00 0.00 O ATOM 1658 CB LEU A 101 8.413 -2.576 2.065 1.00 0.00 C ATOM 1659 CG LEU A 101 8.496 -2.610 3.593 1.00 0.00 C ATOM 1660 CD1 LEU A 101 7.136 -2.906 4.200 1.00 0.00 C ATOM 1661 CD2 LEU A 101 9.515 -3.642 4.048 1.00 0.00 C ATOM 0 H LEU A 101 7.982 -2.423 -0.335 1.00 0.00 H new ATOM 0 HA LEU A 101 6.506 -1.580 1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.055 -3.545 1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.419 -2.445 1.667 1.00 0.00 H new ATOM 0 HG LEU A 101 8.818 -1.628 3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.219 -2.925 5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.429 -2.131 3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.782 -3.874 3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.561 -3.653 5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.220 -4.628 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.496 -3.387 3.646 1.00 0.00 H new ATOM 1673 N GLN A 102 9.073 0.333 1.132 1.00 0.00 N ATOM 1674 CA GLN A 102 9.718 1.610 1.384 1.00 0.00 C ATOM 1675 C GLN A 102 8.719 2.769 1.325 1.00 0.00 C ATOM 1676 O GLN A 102 8.721 3.646 2.193 1.00 0.00 O ATOM 1677 CB GLN A 102 10.817 1.805 0.344 1.00 0.00 C ATOM 1678 CG GLN A 102 12.162 2.165 0.930 1.00 0.00 C ATOM 1679 CD GLN A 102 12.415 3.660 0.962 1.00 0.00 C ATOM 1680 OE1 GLN A 102 12.082 4.339 1.929 1.00 0.00 O ATOM 1681 NE2 GLN A 102 13.011 4.183 -0.102 1.00 0.00 N ATOM 0 H GLN A 102 9.477 -0.188 0.353 1.00 0.00 H new ATOM 0 HA GLN A 102 10.141 1.604 2.389 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.919 0.889 -0.237 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.512 2.590 -0.349 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.228 1.769 1.944 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.947 1.682 0.348 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.272 3.585 -0.886 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.208 5.183 -0.136 1.00 0.00 H new ATOM 1690 N ASP A 103 7.858 2.758 0.315 1.00 0.00 N ATOM 1691 CA ASP A 103 6.877 3.826 0.146 1.00 0.00 C ATOM 1692 C ASP A 103 5.812 3.755 1.234 1.00 0.00 C ATOM 1693 O ASP A 103 5.468 4.764 1.849 1.00 0.00 O ATOM 1694 CB ASP A 103 6.202 3.742 -1.220 1.00 0.00 C ATOM 1695 CG ASP A 103 6.001 5.108 -1.850 1.00 0.00 C ATOM 1696 OD1 ASP A 103 4.970 5.756 -1.576 1.00 0.00 O ATOM 1697 OD2 ASP A 103 6.871 5.532 -2.644 1.00 0.00 O ATOM 0 H ASP A 103 7.818 2.027 -0.396 1.00 0.00 H new ATOM 0 HA ASP A 103 7.411 4.774 0.221 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.807 3.124 -1.884 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.236 3.247 -1.115 1.00 0.00 H new ATOM 1702 N GLU A 104 5.305 2.548 1.478 1.00 0.00 N ATOM 1703 CA GLU A 104 4.229 2.347 2.446 1.00 0.00 C ATOM 1704 C GLU A 104 4.676 2.735 3.854 1.00 0.00 C ATOM 1705 O GLU A 104 3.883 3.243 4.647 1.00 0.00 O ATOM 1706 CB GLU A 104 3.745 0.892 2.427 1.00 0.00 C ATOM 1707 CG GLU A 104 3.284 0.408 1.054 1.00 0.00 C ATOM 1708 CD GLU A 104 2.072 1.149 0.514 1.00 0.00 C ATOM 1709 OE1 GLU A 104 1.629 2.138 1.134 1.00 0.00 O ATOM 1710 OE2 GLU A 104 1.551 0.754 -0.548 1.00 0.00 O ATOM 0 H GLU A 104 5.622 1.694 1.019 1.00 0.00 H new ATOM 0 HA GLU A 104 3.400 2.994 2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.551 0.247 2.776 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.922 0.784 3.134 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.107 0.514 0.347 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.051 -0.655 1.114 1.00 0.00 H new ATOM 1717 N GLN A 105 5.952 2.512 4.154 1.00 0.00 N ATOM 1718 CA GLN A 105 6.507 2.882 5.451 1.00 0.00 C ATOM 1719 C GLN A 105 6.461 4.397 5.629 1.00 0.00 C ATOM 1720 O GLN A 105 6.221 4.902 6.726 1.00 0.00 O ATOM 1721 CB GLN A 105 7.946 2.381 5.583 1.00 0.00 C ATOM 1722 CG GLN A 105 8.507 2.511 6.991 1.00 0.00 C ATOM 1723 CD GLN A 105 9.960 2.095 7.079 1.00 0.00 C ATOM 1724 OE1 GLN A 105 10.275 0.925 7.291 1.00 0.00 O ATOM 1725 NE2 GLN A 105 10.857 3.056 6.933 1.00 0.00 N ATOM 0 H GLN A 105 6.620 2.077 3.517 1.00 0.00 H new ATOM 0 HA GLN A 105 5.905 2.415 6.230 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.987 1.335 5.279 1.00 0.00 H new ATOM 0 HB3 GLN A 105 8.581 2.938 4.894 1.00 0.00 H new ATOM 0 HG2 GLN A 105 8.408 3.544 7.324 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.916 1.899 7.672 1.00 0.00 H new ATOM 0 HE21 GLN A 105 10.554 4.014 6.758 1.00 0.00 H new ATOM 0 HE22 GLN A 105 11.852 2.839 6.995 1.00 0.00 H new ATOM 1734 N ARG A 106 6.675 5.117 4.531 1.00 0.00 N ATOM 1735 CA ARG A 106 6.608 6.571 4.546 1.00 0.00 C ATOM 1736 C ARG A 106 5.165 7.033 4.718 1.00 0.00 C ATOM 1737 O ARG A 106 4.900 8.043 5.373 1.00 0.00 O ATOM 1738 CB ARG A 106 7.196 7.153 3.258 1.00 0.00 C ATOM 1739 CG ARG A 106 7.102 8.668 3.178 1.00 0.00 C ATOM 1740 CD ARG A 106 7.747 9.203 1.912 1.00 0.00 C ATOM 1741 NE ARG A 106 7.551 10.645 1.780 1.00 0.00 N ATOM 1742 CZ ARG A 106 8.531 11.520 1.572 1.00 0.00 C ATOM 1743 NH1 ARG A 106 9.782 11.099 1.400 1.00 0.00 N ATOM 1744 NH2 ARG A 106 8.254 12.817 1.525 1.00 0.00 N ATOM 0 H ARG A 106 6.896 4.715 3.620 1.00 0.00 H new ATOM 0 HA ARG A 106 7.197 6.931 5.389 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.242 6.857 3.180 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.677 6.719 2.403 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.055 8.970 3.209 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.587 9.109 4.049 1.00 0.00 H new ATOM 0 HD2 ARG A 106 8.814 8.979 1.923 1.00 0.00 H new ATOM 0 HD3 ARG A 106 7.324 8.696 1.045 1.00 0.00 H new ATOM 0 HE ARG A 106 6.599 11.005 1.852 1.00 0.00 H new ATOM 0 HH11 ARG A 106 9.993 10.101 1.427 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.530 11.774 1.241 1.00 0.00 H new ATOM 0 HH21 ARG A 106 7.294 13.138 1.648 1.00 0.00 H new ATOM 0 HH22 ARG A 106 9.001 13.493 1.366 1.00 0.00 H new ATOM 1758 N HIS A 107 4.238 6.283 4.132 1.00 0.00 N ATOM 1759 CA HIS A 107 2.817 6.587 4.264 1.00 0.00 C ATOM 1760 C HIS A 107 2.414 6.548 5.732 1.00 0.00 C ATOM 1761 O HIS A 107 1.814 7.492 6.241 1.00 0.00 O ATOM 1762 CB HIS A 107 1.959 5.600 3.456 1.00 0.00 C ATOM 1763 CG HIS A 107 2.151 5.699 1.973 1.00 0.00 C ATOM 1764 ND1 HIS A 107 1.477 4.879 1.096 1.00 0.00 N ATOM 1765 CD2 HIS A 107 2.953 6.529 1.271 1.00 0.00 C ATOM 1766 CE1 HIS A 107 1.892 5.236 -0.112 1.00 0.00 C ATOM 1767 NE2 HIS A 107 2.788 6.227 -0.056 1.00 0.00 N ATOM 0 H HIS A 107 4.444 5.462 3.562 1.00 0.00 H new ATOM 0 HA HIS A 107 2.644 7.587 3.867 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.193 4.585 3.776 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.908 5.773 3.689 1.00 0.00 H new ATOM 0 HD1 HIS A 107 0.801 4.151 1.327 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.603 7.289 1.679 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.548 4.782 -1.029 1.00 0.00 H new ATOM 1775 N VAL A 108 2.778 5.465 6.409 1.00 0.00 N ATOM 1776 CA VAL A 108 2.491 5.313 7.831 1.00 0.00 C ATOM 1777 C VAL A 108 3.118 6.448 8.637 1.00 0.00 C ATOM 1778 O VAL A 108 2.472 7.036 9.508 1.00 0.00 O ATOM 1779 CB VAL A 108 3.014 3.960 8.360 1.00 0.00 C ATOM 1780 CG1 VAL A 108 2.787 3.830 9.859 1.00 0.00 C ATOM 1781 CG2 VAL A 108 2.349 2.806 7.626 1.00 0.00 C ATOM 0 H VAL A 108 3.274 4.676 5.994 1.00 0.00 H new ATOM 0 HA VAL A 108 1.408 5.346 7.950 1.00 0.00 H new ATOM 0 HB VAL A 108 4.087 3.923 8.175 1.00 0.00 H new ATOM 0 HG11 VAL A 108 3.166 2.867 10.202 1.00 0.00 H new ATOM 0 HG12 VAL A 108 3.312 4.632 10.377 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.720 3.897 10.073 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.730 1.861 8.013 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.271 2.851 7.778 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.569 2.877 6.561 1.00 0.00 H new ATOM 1791 N GLU A 109 4.374 6.756 8.328 1.00 0.00 N ATOM 1792 CA GLU A 109 5.100 7.816 8.994 1.00 0.00 C ATOM 1793 C GLU A 109 4.374 9.153 8.873 1.00 0.00 C ATOM 1794 O GLU A 109 4.209 9.873 9.859 1.00 0.00 O ATOM 1795 CB GLU A 109 6.474 7.908 8.348 1.00 0.00 C ATOM 1796 CG GLU A 109 7.612 8.030 9.328 1.00 0.00 C ATOM 1797 CD GLU A 109 7.825 9.447 9.824 1.00 0.00 C ATOM 1798 OE1 GLU A 109 8.222 10.319 9.017 1.00 0.00 O ATOM 1799 OE2 GLU A 109 7.609 9.698 11.028 1.00 0.00 O ATOM 0 H GLU A 109 4.911 6.274 7.608 1.00 0.00 H new ATOM 0 HA GLU A 109 5.182 7.591 10.057 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.633 7.023 7.732 1.00 0.00 H new ATOM 0 HB3 GLU A 109 6.492 8.769 7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 109 7.420 7.379 10.181 1.00 0.00 H new ATOM 0 HG3 GLU A 109 8.529 7.676 8.856 1.00 0.00 H new ATOM 1806 N GLU A 110 3.929 9.469 7.667 1.00 0.00 N ATOM 1807 CA GLU A 110 3.302 10.753 7.396 1.00 0.00 C ATOM 1808 C GLU A 110 1.909 10.841 8.022 1.00 0.00 C ATOM 1809 O GLU A 110 1.575 11.837 8.659 1.00 0.00 O ATOM 1810 CB GLU A 110 3.220 10.989 5.890 1.00 0.00 C ATOM 1811 CG GLU A 110 3.444 12.438 5.499 1.00 0.00 C ATOM 1812 CD GLU A 110 4.896 12.862 5.647 1.00 0.00 C ATOM 1813 OE1 GLU A 110 5.477 12.678 6.739 1.00 0.00 O ATOM 1814 OE2 GLU A 110 5.468 13.375 4.661 1.00 0.00 O ATOM 0 H GLU A 110 3.991 8.851 6.858 1.00 0.00 H new ATOM 0 HA GLU A 110 3.919 11.529 7.848 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.962 10.366 5.390 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.241 10.670 5.531 1.00 0.00 H new ATOM 0 HG2 GLU A 110 3.129 12.585 4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.816 13.079 6.118 1.00 0.00 H new ATOM 1821 N ILE A 111 1.108 9.789 7.845 1.00 0.00 N ATOM 1822 CA ILE A 111 -0.275 9.776 8.327 1.00 0.00 C ATOM 1823 C ILE A 111 -0.346 9.978 9.845 1.00 0.00 C ATOM 1824 O ILE A 111 -1.242 10.654 10.348 1.00 0.00 O ATOM 1825 CB ILE A 111 -0.997 8.463 7.933 1.00 0.00 C ATOM 1826 CG1 ILE A 111 -1.104 8.363 6.406 1.00 0.00 C ATOM 1827 CG2 ILE A 111 -2.379 8.383 8.572 1.00 0.00 C ATOM 1828 CD1 ILE A 111 -1.699 7.055 5.922 1.00 0.00 C ATOM 0 H ILE A 111 1.394 8.933 7.370 1.00 0.00 H new ATOM 0 HA ILE A 111 -0.785 10.611 7.847 1.00 0.00 H new ATOM 0 HB ILE A 111 -0.410 7.623 8.304 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.714 9.188 6.038 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.111 8.483 5.972 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.862 7.451 8.278 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.280 8.414 9.657 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -2.984 9.226 8.238 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -1.743 7.056 4.833 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -1.077 6.226 6.259 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.705 6.941 6.326 1.00 0.00 H new ATOM 1840 N GLU A 112 0.615 9.410 10.564 1.00 0.00 N ATOM 1841 CA GLU A 112 0.678 9.540 12.012 1.00 0.00 C ATOM 1842 C GLU A 112 0.734 11.005 12.449 1.00 0.00 C ATOM 1843 O GLU A 112 0.302 11.348 13.553 1.00 0.00 O ATOM 1844 CB GLU A 112 1.897 8.788 12.537 1.00 0.00 C ATOM 1845 CG GLU A 112 1.598 7.361 12.975 1.00 0.00 C ATOM 1846 CD GLU A 112 0.756 7.304 14.235 1.00 0.00 C ATOM 1847 OE1 GLU A 112 1.335 7.319 15.343 1.00 0.00 O ATOM 1848 OE2 GLU A 112 -0.485 7.249 14.132 1.00 0.00 O ATOM 0 H GLU A 112 1.367 8.850 10.162 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.231 9.109 12.431 1.00 0.00 H new ATOM 0 HB2 GLU A 112 2.661 8.767 11.760 1.00 0.00 H new ATOM 0 HB3 GLU A 112 2.315 9.337 13.381 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.079 6.839 12.171 1.00 0.00 H new ATOM 0 HG3 GLU A 112 2.536 6.832 13.145 1.00 0.00 H new