USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 575 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 54 GLN : amide:sc= 0 X(o=0,f=0.068) USER MOD Set 1.2: A 57 GLN : amide:sc= 0 X(o=0,f=0.068) USER MOD Single : A 4 GLN : amide:sc= -0.466 X(o=-0.47,f=-0.4) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN :FLIP amide:sc= -3.39! C(o=-4.8!,f=-3.4!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN :FLIP amide:sc= -0.385 F(o=-4.3!,f=-0.39) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -127:sc= 0.403! USER MOD Single : A 26 MET CE :methyl 165:sc= -12.9! (180deg=-14.3!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.827 USER MOD Single : A 30 GLN : amide:sc= -7.15! C(o=-7.1!,f=-13!) USER MOD Single : A 35 GLN : amide:sc= -0.0763 X(o=-0.076,f=-0.0017) USER MOD Single : A 36 MET CE :methyl 157:sc= -1.57 (180deg=-3.13!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 38 LYS NZ :NH3+ 164:sc= -0.0136 (180deg=-0.189) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc=0.000601 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0395) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -179:sc= 0 (180deg=-0.00216) USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 3 3.903 -10.316 -4.565 1.00 0.00 N ATOM 102 CA LEU A 3 3.347 -9.196 -3.813 1.00 0.00 C ATOM 103 C LEU A 3 4.408 -8.129 -3.562 1.00 0.00 C ATOM 104 O LEU A 3 4.105 -7.044 -3.068 1.00 0.00 O ATOM 105 CB LEU A 3 2.774 -9.685 -2.481 1.00 0.00 C ATOM 106 CG LEU A 3 1.683 -8.812 -1.860 1.00 0.00 C ATOM 107 CD1 LEU A 3 2.298 -7.627 -1.131 1.00 0.00 C ATOM 108 CD2 LEU A 3 0.708 -8.337 -2.926 1.00 0.00 C ATOM 0 HA LEU A 3 2.546 -8.754 -4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.370 -10.687 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.592 -9.773 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 3 1.133 -9.413 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.507 -7.017 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.955 -7.988 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.874 -7.026 -1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.061 -7.717 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.244 -7.754 -3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.242 -9.199 -3.403 1.00 0.00 H new ATOM 120 N GLN A 4 5.652 -8.446 -3.907 1.00 0.00 N ATOM 121 CA GLN A 4 6.757 -7.513 -3.720 1.00 0.00 C ATOM 122 C GLN A 4 6.557 -6.256 -4.559 1.00 0.00 C ATOM 123 O GLN A 4 6.686 -5.138 -4.061 1.00 0.00 O ATOM 124 CB GLN A 4 8.083 -8.181 -4.089 1.00 0.00 C ATOM 125 CG GLN A 4 9.273 -7.642 -3.310 1.00 0.00 C ATOM 126 CD GLN A 4 9.056 -7.684 -1.810 1.00 0.00 C ATOM 127 OE1 GLN A 4 9.267 -6.691 -1.113 1.00 0.00 O ATOM 128 NE2 GLN A 4 8.632 -8.836 -1.305 1.00 0.00 N ATOM 0 H GLN A 4 5.920 -9.341 -4.317 1.00 0.00 H new ATOM 0 HA GLN A 4 6.782 -7.225 -2.669 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.001 -9.254 -3.915 1.00 0.00 H new ATOM 0 HB3 GLN A 4 8.265 -8.044 -5.155 1.00 0.00 H new ATOM 0 HG2 GLN A 4 10.160 -8.223 -3.561 1.00 0.00 H new ATOM 0 HG3 GLN A 4 9.468 -6.614 -3.616 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.470 -9.634 -1.920 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.468 -8.924 -0.302 1.00 0.00 H new ATOM 137 N MET A 5 6.241 -6.447 -5.836 1.00 0.00 N ATOM 138 CA MET A 5 6.021 -5.327 -6.744 1.00 0.00 C ATOM 139 C MET A 5 4.974 -4.370 -6.184 1.00 0.00 C ATOM 140 O MET A 5 4.851 -3.234 -6.642 1.00 0.00 O ATOM 141 CB MET A 5 5.581 -5.836 -8.118 1.00 0.00 C ATOM 142 CG MET A 5 4.183 -6.433 -8.126 1.00 0.00 C ATOM 143 SD MET A 5 3.818 -7.325 -9.650 1.00 0.00 S ATOM 144 CE MET A 5 3.169 -6.003 -10.669 1.00 0.00 C ATOM 0 H MET A 5 6.132 -7.366 -6.265 1.00 0.00 H new ATOM 0 HA MET A 5 6.962 -4.786 -6.849 1.00 0.00 H new ATOM 0 HB2 MET A 5 5.619 -5.012 -8.831 1.00 0.00 H new ATOM 0 HB3 MET A 5 6.291 -6.589 -8.462 1.00 0.00 H new ATOM 0 HG2 MET A 5 4.076 -7.110 -7.279 1.00 0.00 H new ATOM 0 HG3 MET A 5 3.451 -5.637 -7.991 1.00 0.00 H new ATOM 0 HE1 MET A 5 2.897 -6.398 -11.648 1.00 0.00 H new ATOM 0 HE2 MET A 5 2.287 -5.576 -10.192 1.00 0.00 H new ATOM 0 HE3 MET A 5 3.928 -5.229 -10.788 1.00 0.00 H new ATOM 154 N ILE A 6 4.222 -4.837 -5.193 1.00 0.00 N ATOM 155 CA ILE A 6 3.187 -4.021 -4.571 1.00 0.00 C ATOM 156 C ILE A 6 3.742 -3.237 -3.387 1.00 0.00 C ATOM 157 O ILE A 6 3.818 -2.009 -3.422 1.00 0.00 O ATOM 158 CB ILE A 6 2.003 -4.883 -4.093 1.00 0.00 C ATOM 159 CG1 ILE A 6 1.317 -5.552 -5.285 1.00 0.00 C ATOM 160 CG2 ILE A 6 1.011 -4.033 -3.312 1.00 0.00 C ATOM 161 CD1 ILE A 6 1.994 -6.828 -5.734 1.00 0.00 C ATOM 0 H ILE A 6 4.310 -5.776 -4.804 1.00 0.00 H new ATOM 0 HA ILE A 6 2.835 -3.324 -5.331 1.00 0.00 H new ATOM 0 HB ILE A 6 2.383 -5.663 -3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.283 -5.772 -5.022 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.291 -4.851 -6.119 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.180 -4.656 -2.981 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.508 -3.599 -2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.634 -3.235 -3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.454 -7.247 -6.583 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.021 -6.611 -6.029 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.996 -7.547 -4.914 1.00 0.00 H new ATOM 173 N VAL A 7 4.129 -3.956 -2.338 1.00 0.00 N ATOM 174 CA VAL A 7 4.681 -3.329 -1.143 1.00 0.00 C ATOM 175 C VAL A 7 5.933 -2.524 -1.472 1.00 0.00 C ATOM 176 O VAL A 7 6.197 -1.490 -0.859 1.00 0.00 O ATOM 177 CB VAL A 7 5.025 -4.376 -0.067 1.00 0.00 C ATOM 178 CG1 VAL A 7 3.815 -4.658 0.810 1.00 0.00 C ATOM 179 CG2 VAL A 7 5.535 -5.655 -0.713 1.00 0.00 C ATOM 0 H VAL A 7 4.070 -4.973 -2.292 1.00 0.00 H new ATOM 0 HA VAL A 7 3.914 -2.659 -0.755 1.00 0.00 H new ATOM 0 HB VAL A 7 5.817 -3.975 0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.077 -5.400 1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.499 -3.738 1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.000 -5.039 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.773 -6.384 0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.767 -6.062 -1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.431 -5.437 -1.294 1.00 0.00 H new ATOM 189 N GLU A 8 6.700 -3.006 -2.445 1.00 0.00 N ATOM 190 CA GLU A 8 7.926 -2.331 -2.856 1.00 0.00 C ATOM 191 C GLU A 8 7.611 -1.054 -3.629 1.00 0.00 C ATOM 192 O GLU A 8 8.369 -0.086 -3.586 1.00 0.00 O ATOM 193 CB GLU A 8 8.784 -3.262 -3.715 1.00 0.00 C ATOM 194 CG GLU A 8 8.393 -3.268 -5.183 1.00 0.00 C ATOM 195 CD GLU A 8 9.111 -2.197 -5.982 1.00 0.00 C ATOM 196 OE1 GLU A 8 8.654 -1.035 -5.960 1.00 0.00 O ATOM 197 OE2 GLU A 8 10.128 -2.522 -6.629 1.00 0.00 O ATOM 0 H GLU A 8 6.494 -3.860 -2.963 1.00 0.00 H new ATOM 0 HA GLU A 8 8.482 -2.063 -1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.829 -2.964 -3.627 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.708 -4.276 -3.323 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.616 -4.246 -5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.317 -3.120 -5.269 1.00 0.00 H new ATOM 204 N ASN A 9 6.486 -1.060 -4.337 1.00 0.00 N ATOM 205 CA ASN A 9 6.070 0.097 -5.121 1.00 0.00 C ATOM 206 C ASN A 9 5.821 1.303 -4.221 1.00 0.00 C ATOM 207 O ASN A 9 5.950 2.450 -4.652 1.00 0.00 O ATOM 208 CB ASN A 9 4.805 -0.229 -5.918 1.00 0.00 C ATOM 209 CG ASN A 9 5.115 -0.785 -7.294 1.00 0.00 C ATOM 210 OD1 ASN A 9 6.295 -1.376 -7.441 1.00 0.00 O flip ATOM 211 ND2 ASN A 9 4.303 -0.684 -8.214 1.00 0.00 N flip ATOM 0 H ASN A 9 5.846 -1.853 -4.384 1.00 0.00 H new ATOM 0 HA ASN A 9 6.875 0.343 -5.814 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.206 -0.952 -5.364 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.202 0.673 -6.021 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.408 -0.222 -8.056 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.526 -1.063 -9.135 1.00 0.00 H new ATOM 218 N VAL A 10 5.464 1.037 -2.969 1.00 0.00 N ATOM 219 CA VAL A 10 5.199 2.100 -2.007 1.00 0.00 C ATOM 220 C VAL A 10 6.456 2.916 -1.730 1.00 0.00 C ATOM 221 O VAL A 10 6.434 4.147 -1.773 1.00 0.00 O ATOM 222 CB VAL A 10 4.664 1.534 -0.678 1.00 0.00 C ATOM 223 CG1 VAL A 10 4.231 2.662 0.247 1.00 0.00 C ATOM 224 CG2 VAL A 10 3.513 0.573 -0.934 1.00 0.00 C ATOM 0 H VAL A 10 5.352 0.094 -2.597 1.00 0.00 H new ATOM 0 HA VAL A 10 4.440 2.746 -2.450 1.00 0.00 H new ATOM 0 HB VAL A 10 5.467 0.982 -0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.856 2.243 1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.083 3.309 0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.443 3.243 -0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.147 0.182 0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.707 1.099 -1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.859 -0.252 -1.556 1.00 0.00 H new ATOM 234 N LYS A 11 7.554 2.224 -1.445 1.00 0.00 N ATOM 235 CA LYS A 11 8.823 2.883 -1.162 1.00 0.00 C ATOM 236 C LYS A 11 9.151 3.916 -2.235 1.00 0.00 C ATOM 237 O LYS A 11 9.761 4.948 -1.952 1.00 0.00 O ATOM 238 CB LYS A 11 9.949 1.850 -1.072 1.00 0.00 C ATOM 239 CG LYS A 11 9.744 0.821 0.027 1.00 0.00 C ATOM 240 CD LYS A 11 9.405 1.482 1.353 1.00 0.00 C ATOM 241 CE LYS A 11 9.803 0.605 2.530 1.00 0.00 C ATOM 242 NZ LYS A 11 11.234 0.788 2.900 1.00 0.00 N ATOM 0 H LYS A 11 7.590 1.205 -1.404 1.00 0.00 H new ATOM 0 HA LYS A 11 8.732 3.396 -0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.036 1.335 -2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.893 2.368 -0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.942 0.139 -0.256 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.647 0.221 0.139 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.917 2.442 1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.335 1.687 1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.173 0.841 3.388 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.623 -0.441 2.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.466 0.173 3.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.837 0.539 2.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.400 1.780 3.163 1.00 0.00 H new ATOM 256 N LEU A 12 8.742 3.632 -3.467 1.00 0.00 N ATOM 257 CA LEU A 12 8.992 4.538 -4.583 1.00 0.00 C ATOM 258 C LEU A 12 8.130 5.792 -4.470 1.00 0.00 C ATOM 259 O LEU A 12 8.626 6.911 -4.594 1.00 0.00 O ATOM 260 CB LEU A 12 8.712 3.832 -5.911 1.00 0.00 C ATOM 261 CG LEU A 12 9.231 4.534 -7.166 1.00 0.00 C ATOM 262 CD1 LEU A 12 8.302 5.671 -7.563 1.00 0.00 C ATOM 263 CD2 LEU A 12 10.644 5.051 -6.944 1.00 0.00 C ATOM 0 H LEU A 12 8.236 2.783 -3.718 1.00 0.00 H new ATOM 0 HA LEU A 12 10.040 4.835 -4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.150 2.835 -5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.634 3.702 -6.011 1.00 0.00 H new ATOM 0 HG LEU A 12 9.255 3.809 -7.980 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.687 6.160 -8.458 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.307 5.274 -7.765 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.245 6.395 -6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.996 5.547 -7.848 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.646 5.760 -6.116 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.304 4.216 -6.708 1.00 0.00 H new ATOM 275 N ALA A 13 6.837 5.596 -4.231 1.00 0.00 N ATOM 276 CA ALA A 13 5.907 6.710 -4.097 1.00 0.00 C ATOM 277 C ALA A 13 6.332 7.647 -2.971 1.00 0.00 C ATOM 278 O ALA A 13 6.281 8.868 -3.114 1.00 0.00 O ATOM 279 CB ALA A 13 4.497 6.194 -3.853 1.00 0.00 C ATOM 0 H ALA A 13 6.410 4.676 -4.126 1.00 0.00 H new ATOM 0 HA ALA A 13 5.919 7.275 -5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.813 7.037 -3.755 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.187 5.571 -4.692 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.479 5.604 -2.937 1.00 0.00 H new ATOM 285 N ARG A 14 6.751 7.067 -1.851 1.00 0.00 N ATOM 286 CA ARG A 14 7.183 7.850 -0.700 1.00 0.00 C ATOM 287 C ARG A 14 8.269 8.846 -1.097 1.00 0.00 C ATOM 288 O ARG A 14 8.205 10.022 -0.740 1.00 0.00 O ATOM 289 CB ARG A 14 7.701 6.929 0.406 1.00 0.00 C ATOM 290 CG ARG A 14 6.628 6.500 1.394 1.00 0.00 C ATOM 291 CD ARG A 14 6.462 7.518 2.511 1.00 0.00 C ATOM 292 NE ARG A 14 6.025 6.896 3.758 1.00 0.00 N ATOM 293 CZ ARG A 14 6.097 7.494 4.942 1.00 0.00 C ATOM 294 NH1 ARG A 14 6.584 8.723 5.040 1.00 0.00 N ATOM 295 NH2 ARG A 14 5.679 6.862 6.032 1.00 0.00 N ATOM 0 H ARG A 14 6.800 6.057 -1.716 1.00 0.00 H new ATOM 0 HA ARG A 14 6.323 8.405 -0.327 1.00 0.00 H new ATOM 0 HB2 ARG A 14 8.140 6.041 -0.048 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.499 7.438 0.947 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.680 6.374 0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.889 5.531 1.819 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.408 8.033 2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.736 8.273 2.209 1.00 0.00 H new ATOM 0 HE ARG A 14 5.644 5.951 3.718 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.905 9.213 4.205 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.638 9.179 5.951 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.302 5.917 5.961 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.735 7.322 6.941 1.00 0.00 H new ATOM 309 N GLU A 15 9.264 8.366 -1.836 1.00 0.00 N ATOM 310 CA GLU A 15 10.364 9.214 -2.280 1.00 0.00 C ATOM 311 C GLU A 15 9.850 10.366 -3.140 1.00 0.00 C ATOM 312 O GLU A 15 10.319 11.498 -3.025 1.00 0.00 O ATOM 313 CB GLU A 15 11.386 8.392 -3.066 1.00 0.00 C ATOM 314 CG GLU A 15 12.774 9.010 -3.092 1.00 0.00 C ATOM 315 CD GLU A 15 13.873 7.972 -3.211 1.00 0.00 C ATOM 316 OE1 GLU A 15 13.692 6.853 -2.688 1.00 0.00 O ATOM 317 OE2 GLU A 15 14.914 8.279 -3.829 1.00 0.00 O ATOM 0 H GLU A 15 9.331 7.395 -2.140 1.00 0.00 H new ATOM 0 HA GLU A 15 10.847 9.631 -1.396 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.450 7.395 -2.631 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.032 8.271 -4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.843 9.704 -3.930 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.926 9.592 -2.183 1.00 0.00 H new ATOM 324 N TYR A 16 8.884 10.067 -4.001 1.00 0.00 N ATOM 325 CA TYR A 16 8.309 11.075 -4.884 1.00 0.00 C ATOM 326 C TYR A 16 7.584 12.151 -4.081 1.00 0.00 C ATOM 327 O TYR A 16 7.697 13.341 -4.374 1.00 0.00 O ATOM 328 CB TYR A 16 7.342 10.424 -5.874 1.00 0.00 C ATOM 329 CG TYR A 16 8.032 9.672 -6.989 1.00 0.00 C ATOM 330 CD1 TYR A 16 9.097 8.819 -6.723 1.00 0.00 C ATOM 331 CD2 TYR A 16 7.620 9.812 -8.308 1.00 0.00 C ATOM 332 CE1 TYR A 16 9.731 8.130 -7.739 1.00 0.00 C ATOM 333 CE2 TYR A 16 8.247 9.127 -9.330 1.00 0.00 C ATOM 334 CZ TYR A 16 9.303 8.287 -9.040 1.00 0.00 C ATOM 335 OH TYR A 16 9.931 7.602 -10.055 1.00 0.00 O ATOM 0 H TYR A 16 8.483 9.135 -4.106 1.00 0.00 H new ATOM 0 HA TYR A 16 9.123 11.545 -5.437 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.690 9.738 -5.334 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.705 11.195 -6.307 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.435 8.693 -5.705 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.794 10.469 -8.539 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.558 7.472 -7.515 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.913 9.248 -10.350 1.00 0.00 H new ATOM 0 HH TYR A 16 9.507 7.823 -10.910 1.00 0.00 H new ATOM 345 N ALA A 17 6.840 11.723 -3.067 1.00 0.00 N ATOM 346 CA ALA A 17 6.098 12.649 -2.219 1.00 0.00 C ATOM 347 C ALA A 17 7.040 13.606 -1.497 1.00 0.00 C ATOM 348 O ALA A 17 6.709 14.772 -1.278 1.00 0.00 O ATOM 349 CB ALA A 17 5.250 11.882 -1.215 1.00 0.00 C ATOM 0 H ALA A 17 6.735 10.741 -2.812 1.00 0.00 H new ATOM 0 HA ALA A 17 5.440 13.240 -2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.702 12.586 -0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.544 11.244 -1.747 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.896 11.266 -0.589 1.00 0.00 H new ATOM 355 N LEU A 18 8.215 13.108 -1.128 1.00 0.00 N ATOM 356 CA LEU A 18 9.205 13.919 -0.429 1.00 0.00 C ATOM 357 C LEU A 18 9.873 14.904 -1.383 1.00 0.00 C ATOM 358 O LEU A 18 9.909 16.108 -1.125 1.00 0.00 O ATOM 359 CB LEU A 18 10.262 13.023 0.219 1.00 0.00 C ATOM 360 CG LEU A 18 9.741 11.979 1.208 1.00 0.00 C ATOM 361 CD1 LEU A 18 10.795 11.668 2.260 1.00 0.00 C ATOM 362 CD2 LEU A 18 8.455 12.460 1.864 1.00 0.00 C ATOM 0 H LEU A 18 8.505 12.146 -1.302 1.00 0.00 H new ATOM 0 HA LEU A 18 8.692 14.485 0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.806 12.506 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.980 13.658 0.737 1.00 0.00 H new ATOM 0 HG LEU A 18 9.524 11.063 0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.407 10.923 2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.690 11.279 1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.044 12.578 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.099 11.704 2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.646 13.390 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.698 12.631 1.099 1.00 0.00 H new ATOM 374 N LEU A 19 10.400 14.386 -2.487 1.00 0.00 N ATOM 375 CA LEU A 19 11.066 15.220 -3.482 1.00 0.00 C ATOM 376 C LEU A 19 10.186 16.401 -3.878 1.00 0.00 C ATOM 377 O LEU A 19 10.682 17.496 -4.142 1.00 0.00 O ATOM 378 CB LEU A 19 11.414 14.391 -4.720 1.00 0.00 C ATOM 379 CG LEU A 19 12.760 13.667 -4.686 1.00 0.00 C ATOM 380 CD1 LEU A 19 13.113 13.263 -3.263 1.00 0.00 C ATOM 381 CD2 LEU A 19 12.733 12.448 -5.597 1.00 0.00 C ATOM 0 H LEU A 19 10.379 13.392 -2.716 1.00 0.00 H new ATOM 0 HA LEU A 19 11.985 15.606 -3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.629 13.650 -4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.400 15.049 -5.589 1.00 0.00 H new ATOM 0 HG LEU A 19 13.528 14.350 -5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 19 14.074 12.749 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 19 13.175 14.153 -2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.344 12.597 -2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.699 11.945 -5.560 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.954 11.762 -5.264 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.526 12.763 -6.620 1.00 0.00 H new ATOM 393 N GLY A 20 8.877 16.173 -3.914 1.00 0.00 N ATOM 394 CA GLY A 20 7.949 17.228 -4.276 1.00 0.00 C ATOM 395 C GLY A 20 6.838 16.737 -5.183 1.00 0.00 C ATOM 396 O GLY A 20 5.808 17.395 -5.324 1.00 0.00 O ATOM 0 H GLY A 20 8.442 15.276 -3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.514 17.652 -3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.493 18.031 -4.774 1.00 0.00 H new ATOM 400 N ASN A 21 7.047 15.578 -5.799 1.00 0.00 N ATOM 401 CA ASN A 21 6.054 15.001 -6.698 1.00 0.00 C ATOM 402 C ASN A 21 5.104 14.080 -5.940 1.00 0.00 C ATOM 403 O ASN A 21 5.345 12.878 -5.826 1.00 0.00 O ATOM 404 CB ASN A 21 6.745 14.226 -7.822 1.00 0.00 C ATOM 405 CG ASN A 21 5.902 14.161 -9.082 1.00 0.00 C ATOM 406 OD1 ASN A 21 4.586 14.227 -8.917 1.00 0.00 O flip ATOM 407 ND2 ASN A 21 6.429 14.054 -10.189 1.00 0.00 N flip ATOM 0 H ASN A 21 7.894 15.020 -5.692 1.00 0.00 H new ATOM 0 HA ASN A 21 5.473 15.816 -7.130 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.700 14.698 -8.051 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.963 13.214 -7.481 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.445 14.007 -10.268 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.850 14.013 -11.028 1.00 0.00 H new ATOM 414 N TYR A 22 4.022 14.652 -5.423 1.00 0.00 N ATOM 415 CA TYR A 22 3.035 13.883 -4.674 1.00 0.00 C ATOM 416 C TYR A 22 2.039 13.211 -5.615 1.00 0.00 C ATOM 417 O TYR A 22 1.726 12.030 -5.465 1.00 0.00 O ATOM 418 CB TYR A 22 2.292 14.789 -3.690 1.00 0.00 C ATOM 419 CG TYR A 22 3.189 15.782 -2.986 1.00 0.00 C ATOM 420 CD1 TYR A 22 3.590 16.954 -3.616 1.00 0.00 C ATOM 421 CD2 TYR A 22 3.637 15.548 -1.692 1.00 0.00 C ATOM 422 CE1 TYR A 22 4.410 17.864 -2.977 1.00 0.00 C ATOM 423 CE2 TYR A 22 4.455 16.453 -1.044 1.00 0.00 C ATOM 424 CZ TYR A 22 4.839 17.609 -1.691 1.00 0.00 C ATOM 425 OH TYR A 22 5.656 18.513 -1.051 1.00 0.00 O ATOM 0 H TYR A 22 3.806 15.645 -5.509 1.00 0.00 H new ATOM 0 HA TYR A 22 3.562 13.108 -4.118 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.513 15.332 -4.226 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.794 14.170 -2.944 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.255 17.157 -4.622 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.340 14.642 -1.184 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.713 18.770 -3.481 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.792 16.257 -0.037 1.00 0.00 H new ATOM 0 HH TYR A 22 5.866 18.184 -0.152 1.00 0.00 H new ATOM 435 N ASP A 23 1.545 13.972 -6.585 1.00 0.00 N ATOM 436 CA ASP A 23 0.586 13.452 -7.552 1.00 0.00 C ATOM 437 C ASP A 23 1.092 12.154 -8.174 1.00 0.00 C ATOM 438 O ASP A 23 0.318 11.229 -8.418 1.00 0.00 O ATOM 439 CB ASP A 23 0.320 14.487 -8.646 1.00 0.00 C ATOM 440 CG ASP A 23 -0.564 13.946 -9.752 1.00 0.00 C ATOM 441 OD1 ASP A 23 -0.050 13.198 -10.610 1.00 0.00 O ATOM 442 OD2 ASP A 23 -1.770 14.271 -9.761 1.00 0.00 O ATOM 0 H ASP A 23 1.793 14.952 -6.723 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.346 13.243 -7.027 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.152 15.365 -8.205 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.269 14.815 -9.071 1.00 0.00 H new ATOM 447 N SER A 24 2.395 12.095 -8.429 1.00 0.00 N ATOM 448 CA SER A 24 3.004 10.912 -9.028 1.00 0.00 C ATOM 449 C SER A 24 2.929 9.722 -8.076 1.00 0.00 C ATOM 450 O SER A 24 2.893 8.570 -8.508 1.00 0.00 O ATOM 451 CB SER A 24 4.461 11.194 -9.397 1.00 0.00 C ATOM 452 OG SER A 24 5.043 10.086 -10.062 1.00 0.00 O ATOM 0 H SER A 24 3.049 12.852 -8.231 1.00 0.00 H new ATOM 0 HA SER A 24 2.449 10.666 -9.933 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.513 12.075 -10.037 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.030 11.421 -8.496 1.00 0.00 H new ATOM 0 HG SER A 24 5.876 9.834 -9.611 1.00 0.00 H new ATOM 458 N ALA A 25 2.906 10.010 -6.779 1.00 0.00 N ATOM 459 CA ALA A 25 2.833 8.965 -5.766 1.00 0.00 C ATOM 460 C ALA A 25 1.440 8.348 -5.713 1.00 0.00 C ATOM 461 O ALA A 25 1.294 7.128 -5.639 1.00 0.00 O ATOM 462 CB ALA A 25 3.218 9.524 -4.403 1.00 0.00 C ATOM 0 H ALA A 25 2.937 10.959 -6.405 1.00 0.00 H new ATOM 0 HA ALA A 25 3.539 8.180 -6.037 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.159 8.733 -3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.236 9.911 -4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.534 10.329 -4.134 1.00 0.00 H new ATOM 468 N MET A 26 0.419 9.198 -5.749 1.00 0.00 N ATOM 469 CA MET A 26 -0.963 8.734 -5.705 1.00 0.00 C ATOM 470 C MET A 26 -1.167 7.544 -6.638 1.00 0.00 C ATOM 471 O MET A 26 -1.673 6.500 -6.226 1.00 0.00 O ATOM 472 CB MET A 26 -1.916 9.868 -6.090 1.00 0.00 C ATOM 473 CG MET A 26 -2.256 10.794 -4.933 1.00 0.00 C ATOM 474 SD MET A 26 -0.892 11.889 -4.495 1.00 0.00 S ATOM 475 CE MET A 26 0.027 10.848 -3.364 1.00 0.00 C ATOM 0 H MET A 26 0.522 10.211 -5.808 1.00 0.00 H new ATOM 0 HA MET A 26 -1.181 8.415 -4.686 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.467 10.453 -6.893 1.00 0.00 H new ATOM 0 HB3 MET A 26 -2.837 9.439 -6.485 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.128 11.393 -5.197 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.531 10.197 -4.064 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.022 11.265 -3.213 1.00 0.00 H new ATOM 0 HE2 MET A 26 -0.495 10.799 -2.408 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.114 9.845 -3.782 1.00 0.00 H new ATOM 485 N VAL A 27 -0.770 7.709 -7.896 1.00 0.00 N ATOM 486 CA VAL A 27 -0.908 6.648 -8.886 1.00 0.00 C ATOM 487 C VAL A 27 -0.300 5.344 -8.383 1.00 0.00 C ATOM 488 O VAL A 27 -0.860 4.267 -8.585 1.00 0.00 O ATOM 489 CB VAL A 27 -0.240 7.034 -10.219 1.00 0.00 C ATOM 490 CG1 VAL A 27 -0.356 8.531 -10.461 1.00 0.00 C ATOM 491 CG2 VAL A 27 1.217 6.595 -10.230 1.00 0.00 C ATOM 0 H VAL A 27 -0.350 8.567 -8.253 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.976 6.506 -9.051 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.758 6.519 -11.028 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.122 8.785 -11.407 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.408 8.813 -10.499 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.135 9.070 -9.651 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.674 6.875 -11.179 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.750 7.081 -9.413 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.272 5.513 -10.106 1.00 0.00 H new ATOM 501 N TYR A 28 0.851 5.449 -7.728 1.00 0.00 N ATOM 502 CA TYR A 28 1.538 4.277 -7.197 1.00 0.00 C ATOM 503 C TYR A 28 0.788 3.701 -6.000 1.00 0.00 C ATOM 504 O TYR A 28 0.523 2.500 -5.937 1.00 0.00 O ATOM 505 CB TYR A 28 2.968 4.638 -6.791 1.00 0.00 C ATOM 506 CG TYR A 28 3.976 4.461 -7.904 1.00 0.00 C ATOM 507 CD1 TYR A 28 4.152 5.441 -8.873 1.00 0.00 C ATOM 508 CD2 TYR A 28 4.754 3.312 -7.985 1.00 0.00 C ATOM 509 CE1 TYR A 28 5.071 5.282 -9.891 1.00 0.00 C ATOM 510 CE2 TYR A 28 5.678 3.146 -8.999 1.00 0.00 C ATOM 511 CZ TYR A 28 5.832 4.133 -9.950 1.00 0.00 C ATOM 512 OH TYR A 28 6.750 3.971 -10.962 1.00 0.00 O ATOM 0 H TYR A 28 1.328 6.333 -7.552 1.00 0.00 H new ATOM 0 HA TYR A 28 1.570 3.520 -7.981 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.990 5.674 -6.453 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.263 4.020 -5.943 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.560 6.343 -8.829 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.634 2.536 -7.243 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.193 6.053 -10.637 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.276 2.248 -9.047 1.00 0.00 H new ATOM 0 HH TYR A 28 7.203 3.108 -10.858 1.00 0.00 H new ATOM 522 N TYR A 29 0.447 4.567 -5.052 1.00 0.00 N ATOM 523 CA TYR A 29 -0.272 4.146 -3.855 1.00 0.00 C ATOM 524 C TYR A 29 -1.556 3.409 -4.222 1.00 0.00 C ATOM 525 O TYR A 29 -1.779 2.278 -3.790 1.00 0.00 O ATOM 526 CB TYR A 29 -0.598 5.357 -2.979 1.00 0.00 C ATOM 527 CG TYR A 29 0.475 5.676 -1.963 1.00 0.00 C ATOM 528 CD1 TYR A 29 0.798 4.772 -0.958 1.00 0.00 C ATOM 529 CD2 TYR A 29 1.164 6.881 -2.006 1.00 0.00 C ATOM 530 CE1 TYR A 29 1.778 5.059 -0.027 1.00 0.00 C ATOM 531 CE2 TYR A 29 2.146 7.176 -1.080 1.00 0.00 C ATOM 532 CZ TYR A 29 2.449 6.262 -0.093 1.00 0.00 C ATOM 533 OH TYR A 29 3.425 6.553 0.833 1.00 0.00 O ATOM 0 H TYR A 29 0.657 5.565 -5.089 1.00 0.00 H new ATOM 0 HA TYR A 29 0.370 3.464 -3.297 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.751 6.226 -3.618 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.538 5.175 -2.458 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.274 3.829 -0.904 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.928 7.600 -2.777 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.017 4.345 0.748 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.673 8.117 -1.129 1.00 0.00 H new ATOM 0 HH TYR A 29 3.800 7.439 0.645 1.00 0.00 H new ATOM 543 N GLN A 30 -2.396 4.058 -5.022 1.00 0.00 N ATOM 544 CA GLN A 30 -3.658 3.464 -5.447 1.00 0.00 C ATOM 545 C GLN A 30 -3.433 2.083 -6.054 1.00 0.00 C ATOM 546 O GLN A 30 -4.200 1.154 -5.809 1.00 0.00 O ATOM 547 CB GLN A 30 -4.357 4.372 -6.460 1.00 0.00 C ATOM 548 CG GLN A 30 -5.849 4.107 -6.586 1.00 0.00 C ATOM 549 CD GLN A 30 -6.211 2.662 -6.308 1.00 0.00 C ATOM 550 OE1 GLN A 30 -6.271 1.838 -7.222 1.00 0.00 O ATOM 551 NE2 GLN A 30 -6.453 2.345 -5.042 1.00 0.00 N ATOM 0 H GLN A 30 -2.226 4.994 -5.389 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.294 3.355 -4.568 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.204 5.412 -6.170 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.889 4.241 -7.436 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.388 4.752 -5.893 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.178 4.373 -7.591 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.392 3.060 -4.317 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.700 1.387 -4.794 1.00 0.00 H new ATOM 560 N GLY A 31 -2.374 1.957 -6.849 1.00 0.00 N ATOM 561 CA GLY A 31 -2.067 0.687 -7.480 1.00 0.00 C ATOM 562 C GLY A 31 -1.679 -0.380 -6.476 1.00 0.00 C ATOM 563 O GLY A 31 -2.036 -1.548 -6.630 1.00 0.00 O ATOM 0 H GLY A 31 -1.724 2.712 -7.067 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.933 0.349 -8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.253 0.826 -8.191 1.00 0.00 H new ATOM 567 N VAL A 32 -0.944 0.020 -5.443 1.00 0.00 N ATOM 568 CA VAL A 32 -0.506 -0.910 -4.409 1.00 0.00 C ATOM 569 C VAL A 32 -1.698 -1.532 -3.689 1.00 0.00 C ATOM 570 O VAL A 32 -1.792 -2.753 -3.562 1.00 0.00 O ATOM 571 CB VAL A 32 0.399 -0.215 -3.375 1.00 0.00 C ATOM 572 CG1 VAL A 32 0.757 -1.173 -2.249 1.00 0.00 C ATOM 573 CG2 VAL A 32 1.654 0.325 -4.045 1.00 0.00 C ATOM 0 H VAL A 32 -0.639 0.983 -5.300 1.00 0.00 H new ATOM 0 HA VAL A 32 0.063 -1.694 -4.909 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.147 0.625 -2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.397 -0.664 -1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.154 -1.508 -1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.285 -2.034 -2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.283 0.813 -3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.205 -0.497 -4.502 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.375 1.046 -4.813 1.00 0.00 H new ATOM 583 N LEU A 33 -2.606 -0.684 -3.220 1.00 0.00 N ATOM 584 CA LEU A 33 -3.793 -1.149 -2.512 1.00 0.00 C ATOM 585 C LEU A 33 -4.639 -2.053 -3.403 1.00 0.00 C ATOM 586 O LEU A 33 -5.100 -3.110 -2.972 1.00 0.00 O ATOM 587 CB LEU A 33 -4.627 0.042 -2.036 1.00 0.00 C ATOM 588 CG LEU A 33 -4.064 0.824 -0.849 1.00 0.00 C ATOM 589 CD1 LEU A 33 -3.596 -0.125 0.243 1.00 0.00 C ATOM 590 CD2 LEU A 33 -2.924 1.727 -1.298 1.00 0.00 C ATOM 0 H LEU A 33 -2.543 0.329 -3.317 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.467 -1.725 -1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.752 0.730 -2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.620 -0.319 -1.769 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.858 1.450 -0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.199 0.450 1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.436 -0.729 0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.817 -0.777 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.535 2.276 -0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.129 1.121 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.291 2.432 -2.044 1.00 0.00 H new ATOM 602 N ASP A 34 -4.837 -1.631 -4.646 1.00 0.00 N ATOM 603 CA ASP A 34 -5.625 -2.404 -5.600 1.00 0.00 C ATOM 604 C ASP A 34 -4.967 -3.751 -5.883 1.00 0.00 C ATOM 605 O ASP A 34 -5.619 -4.793 -5.834 1.00 0.00 O ATOM 606 CB ASP A 34 -5.798 -1.623 -6.903 1.00 0.00 C ATOM 607 CG ASP A 34 -7.030 -0.740 -6.890 1.00 0.00 C ATOM 608 OD1 ASP A 34 -7.626 -0.568 -5.806 1.00 0.00 O ATOM 609 OD2 ASP A 34 -7.399 -0.220 -7.964 1.00 0.00 O ATOM 0 H ASP A 34 -4.463 -0.758 -5.018 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.606 -2.584 -5.161 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.915 -1.007 -7.074 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.865 -2.323 -7.736 1.00 0.00 H new ATOM 614 N GLN A 35 -3.671 -3.720 -6.179 1.00 0.00 N ATOM 615 CA GLN A 35 -2.926 -4.938 -6.472 1.00 0.00 C ATOM 616 C GLN A 35 -2.846 -5.836 -5.242 1.00 0.00 C ATOM 617 O GLN A 35 -2.901 -7.061 -5.350 1.00 0.00 O ATOM 618 CB GLN A 35 -1.518 -4.595 -6.960 1.00 0.00 C ATOM 619 CG GLN A 35 -1.499 -3.836 -8.277 1.00 0.00 C ATOM 620 CD GLN A 35 -1.821 -4.721 -9.465 1.00 0.00 C ATOM 621 OE1 GLN A 35 -0.954 -5.427 -9.982 1.00 0.00 O ATOM 622 NE2 GLN A 35 -3.073 -4.689 -9.906 1.00 0.00 N ATOM 0 H GLN A 35 -3.116 -2.865 -6.222 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.454 -5.476 -7.259 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.014 -3.999 -6.199 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.947 -5.517 -7.073 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.219 -3.019 -8.232 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.516 -3.387 -8.419 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.760 -4.090 -9.448 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.348 -5.264 -10.703 1.00 0.00 H new ATOM 631 N MET A 36 -2.715 -5.218 -4.072 1.00 0.00 N ATOM 632 CA MET A 36 -2.627 -5.963 -2.821 1.00 0.00 C ATOM 633 C MET A 36 -3.806 -6.919 -2.674 1.00 0.00 C ATOM 634 O MET A 36 -3.623 -8.110 -2.425 1.00 0.00 O ATOM 635 CB MET A 36 -2.586 -5.000 -1.632 1.00 0.00 C ATOM 636 CG MET A 36 -1.178 -4.588 -1.233 1.00 0.00 C ATOM 637 SD MET A 36 -1.032 -4.232 0.529 1.00 0.00 S ATOM 638 CE MET A 36 -1.562 -5.791 1.234 1.00 0.00 C ATOM 0 H MET A 36 -2.668 -4.205 -3.964 1.00 0.00 H new ATOM 0 HA MET A 36 -1.707 -6.548 -2.839 1.00 0.00 H new ATOM 0 HB2 MET A 36 -3.161 -4.107 -1.878 1.00 0.00 H new ATOM 0 HB3 MET A 36 -3.075 -5.469 -0.778 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.482 -5.384 -1.498 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.886 -3.706 -1.803 1.00 0.00 H new ATOM 0 HE1 MET A 36 -1.159 -5.891 2.242 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.651 -5.821 1.275 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.200 -6.612 0.615 1.00 0.00 H new ATOM 648 N ASN A 37 -5.015 -6.390 -2.830 1.00 0.00 N ATOM 649 CA ASN A 37 -6.224 -7.198 -2.714 1.00 0.00 C ATOM 650 C ASN A 37 -6.170 -8.396 -3.657 1.00 0.00 C ATOM 651 O ASN A 37 -6.444 -9.528 -3.257 1.00 0.00 O ATOM 652 CB ASN A 37 -7.460 -6.350 -3.019 1.00 0.00 C ATOM 653 CG ASN A 37 -8.051 -5.720 -1.772 1.00 0.00 C ATOM 654 OD1 ASN A 37 -8.527 -6.418 -0.876 1.00 0.00 O ATOM 655 ND2 ASN A 37 -8.024 -4.394 -1.710 1.00 0.00 N ATOM 0 H ASN A 37 -5.184 -5.406 -3.037 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.288 -7.567 -1.690 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.193 -5.566 -3.728 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.214 -6.972 -3.501 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.408 -3.914 -0.896 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.619 -3.856 -2.476 1.00 0.00 H new ATOM 662 N LYS A 38 -5.815 -8.139 -4.911 1.00 0.00 N ATOM 663 CA LYS A 38 -5.723 -9.196 -5.912 1.00 0.00 C ATOM 664 C LYS A 38 -4.853 -10.344 -5.412 1.00 0.00 C ATOM 665 O LYS A 38 -5.149 -11.513 -5.659 1.00 0.00 O ATOM 666 CB LYS A 38 -5.152 -8.640 -7.219 1.00 0.00 C ATOM 667 CG LYS A 38 -5.989 -7.526 -7.823 1.00 0.00 C ATOM 668 CD LYS A 38 -5.285 -6.877 -9.003 1.00 0.00 C ATOM 669 CE LYS A 38 -5.461 -7.692 -10.275 1.00 0.00 C ATOM 670 NZ LYS A 38 -6.853 -7.610 -10.798 1.00 0.00 N ATOM 0 H LYS A 38 -5.586 -7.208 -5.259 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.727 -9.578 -6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.144 -8.267 -7.036 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.066 -9.451 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.950 -7.926 -8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.197 -6.773 -7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.680 -5.873 -9.156 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.223 -6.772 -8.781 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.766 -7.334 -11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.208 -8.734 -10.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.873 -7.940 -11.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.477 -8.208 -10.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.182 -6.624 -10.756 1.00 0.00 H new ATOM 684 N TYR A 39 -3.779 -10.004 -4.708 1.00 0.00 N ATOM 685 CA TYR A 39 -2.866 -11.007 -4.174 1.00 0.00 C ATOM 686 C TYR A 39 -3.544 -11.840 -3.091 1.00 0.00 C ATOM 687 O TYR A 39 -3.507 -13.071 -3.123 1.00 0.00 O ATOM 688 CB TYR A 39 -1.612 -10.337 -3.609 1.00 0.00 C ATOM 689 CG TYR A 39 -0.572 -11.316 -3.115 1.00 0.00 C ATOM 690 CD1 TYR A 39 -0.619 -11.816 -1.820 1.00 0.00 C ATOM 691 CD2 TYR A 39 0.458 -11.743 -3.945 1.00 0.00 C ATOM 692 CE1 TYR A 39 0.330 -12.711 -1.365 1.00 0.00 C ATOM 693 CE2 TYR A 39 1.410 -12.638 -3.499 1.00 0.00 C ATOM 694 CZ TYR A 39 1.343 -13.119 -2.208 1.00 0.00 C ATOM 695 OH TYR A 39 2.289 -14.011 -1.759 1.00 0.00 O ATOM 0 H TYR A 39 -3.519 -9.041 -4.494 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.579 -11.670 -4.990 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.168 -9.707 -4.380 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.900 -9.681 -2.788 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.411 -11.500 -1.157 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.515 -11.368 -4.956 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.279 -13.089 -0.355 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.203 -12.960 -4.158 1.00 0.00 H new ATOM 0 HH TYR A 39 2.931 -14.196 -2.476 1.00 0.00 H new ATOM 705 N LEU A 40 -4.163 -11.160 -2.132 1.00 0.00 N ATOM 706 CA LEU A 40 -4.851 -11.835 -1.038 1.00 0.00 C ATOM 707 C LEU A 40 -6.003 -12.687 -1.561 1.00 0.00 C ATOM 708 O LEU A 40 -6.305 -13.747 -1.012 1.00 0.00 O ATOM 709 CB LEU A 40 -5.376 -10.811 -0.030 1.00 0.00 C ATOM 710 CG LEU A 40 -4.579 -9.511 0.082 1.00 0.00 C ATOM 711 CD1 LEU A 40 -4.955 -8.763 1.352 1.00 0.00 C ATOM 712 CD2 LEU A 40 -3.085 -9.797 0.051 1.00 0.00 C ATOM 0 H LEU A 40 -4.202 -10.142 -2.090 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.135 -12.490 -0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.403 -10.562 -0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.406 -11.281 0.953 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.825 -8.881 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.378 -7.840 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.019 -8.525 1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.738 -9.387 2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.533 -8.860 0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.821 -10.446 0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.828 -10.289 -0.887 1.00 0.00 H new ATOM 724 N TYR A 41 -6.642 -12.218 -2.627 1.00 0.00 N ATOM 725 CA TYR A 41 -7.761 -12.936 -3.226 1.00 0.00 C ATOM 726 C TYR A 41 -7.269 -14.125 -4.045 1.00 0.00 C ATOM 727 O TYR A 41 -8.064 -14.864 -4.626 1.00 0.00 O ATOM 728 CB TYR A 41 -8.582 -11.997 -4.111 1.00 0.00 C ATOM 729 CG TYR A 41 -10.050 -12.350 -4.171 1.00 0.00 C ATOM 730 CD1 TYR A 41 -10.518 -13.315 -5.054 1.00 0.00 C ATOM 731 CD2 TYR A 41 -10.971 -11.720 -3.342 1.00 0.00 C ATOM 732 CE1 TYR A 41 -11.859 -13.641 -5.112 1.00 0.00 C ATOM 733 CE2 TYR A 41 -12.314 -12.041 -3.392 1.00 0.00 C ATOM 734 CZ TYR A 41 -12.753 -13.001 -4.279 1.00 0.00 C ATOM 735 OH TYR A 41 -14.090 -13.324 -4.333 1.00 0.00 O ATOM 0 H TYR A 41 -6.404 -11.343 -3.094 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.393 -13.310 -2.420 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.477 -10.978 -3.740 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.172 -12.012 -5.121 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.821 -13.819 -5.707 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.631 -10.967 -2.647 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.206 -14.393 -5.806 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.016 -11.543 -2.740 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.584 -12.784 -3.681 1.00 0.00 H new ATOM 745 N SER A 42 -5.953 -14.304 -4.086 1.00 0.00 N ATOM 746 CA SER A 42 -5.353 -15.401 -4.836 1.00 0.00 C ATOM 747 C SER A 42 -4.783 -16.456 -3.893 1.00 0.00 C ATOM 748 O SER A 42 -4.532 -17.593 -4.293 1.00 0.00 O ATOM 749 CB SER A 42 -4.250 -14.875 -5.757 1.00 0.00 C ATOM 750 OG SER A 42 -3.724 -15.911 -6.567 1.00 0.00 O ATOM 0 H SER A 42 -5.281 -13.703 -3.608 1.00 0.00 H new ATOM 0 HA SER A 42 -6.133 -15.863 -5.442 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.648 -14.081 -6.389 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.451 -14.436 -5.159 1.00 0.00 H new ATOM 0 HG SER A 42 -3.022 -15.548 -7.147 1.00 0.00 H new ATOM 756 N VAL A 43 -4.580 -16.070 -2.637 1.00 0.00 N ATOM 757 CA VAL A 43 -4.040 -16.982 -1.635 1.00 0.00 C ATOM 758 C VAL A 43 -5.143 -17.514 -0.725 1.00 0.00 C ATOM 759 O VAL A 43 -6.015 -16.765 -0.285 1.00 0.00 O ATOM 760 CB VAL A 43 -2.965 -16.295 -0.772 1.00 0.00 C ATOM 761 CG1 VAL A 43 -3.489 -14.981 -0.212 1.00 0.00 C ATOM 762 CG2 VAL A 43 -2.511 -17.219 0.348 1.00 0.00 C ATOM 0 H VAL A 43 -4.781 -15.132 -2.289 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.586 -17.813 -2.175 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.103 -16.075 -1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.716 -14.510 0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.760 -14.318 -1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.367 -15.173 0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.751 -16.718 0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.363 -17.472 0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.093 -18.130 -0.079 1.00 0.00 H new ATOM 772 N LYS A 44 -5.097 -18.812 -0.447 1.00 0.00 N ATOM 773 CA LYS A 44 -6.090 -19.446 0.412 1.00 0.00 C ATOM 774 C LYS A 44 -5.672 -19.368 1.877 1.00 0.00 C ATOM 775 O LYS A 44 -6.516 -19.311 2.771 1.00 0.00 O ATOM 776 CB LYS A 44 -6.288 -20.908 0.004 1.00 0.00 C ATOM 777 CG LYS A 44 -6.838 -21.078 -1.402 1.00 0.00 C ATOM 778 CD LYS A 44 -8.351 -20.949 -1.428 1.00 0.00 C ATOM 779 CE LYS A 44 -8.887 -20.966 -2.852 1.00 0.00 C ATOM 780 NZ LYS A 44 -10.341 -20.650 -2.901 1.00 0.00 N ATOM 0 H LYS A 44 -4.382 -19.446 -0.804 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.032 -18.911 0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.334 -21.429 0.077 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.967 -21.385 0.711 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.397 -20.329 -2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.548 -22.054 -1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.797 -21.766 -0.860 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.647 -20.022 -0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.338 -20.243 -3.455 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.714 -21.947 -3.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.668 -20.672 -3.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.868 -21.354 -2.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.504 -19.703 -2.503 1.00 0.00 H new ATOM 794 N ASP A 45 -4.365 -19.366 2.115 1.00 0.00 N ATOM 795 CA ASP A 45 -3.835 -19.293 3.471 1.00 0.00 C ATOM 796 C ASP A 45 -4.304 -18.020 4.170 1.00 0.00 C ATOM 797 O ASP A 45 -3.659 -16.975 4.081 1.00 0.00 O ATOM 798 CB ASP A 45 -2.306 -19.342 3.448 1.00 0.00 C ATOM 799 CG ASP A 45 -1.778 -20.559 2.714 1.00 0.00 C ATOM 800 OD1 ASP A 45 -2.090 -21.690 3.140 1.00 0.00 O ATOM 801 OD2 ASP A 45 -1.051 -20.380 1.714 1.00 0.00 O ATOM 0 H ASP A 45 -3.653 -19.414 1.386 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.210 -20.152 4.027 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.923 -18.439 2.972 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.930 -19.346 4.471 1.00 0.00 H new ATOM 806 N THR A 46 -5.433 -18.115 4.865 1.00 0.00 N ATOM 807 CA THR A 46 -5.991 -16.972 5.577 1.00 0.00 C ATOM 808 C THR A 46 -4.931 -16.286 6.431 1.00 0.00 C ATOM 809 O THR A 46 -4.990 -15.077 6.660 1.00 0.00 O ATOM 810 CB THR A 46 -7.168 -17.390 6.478 1.00 0.00 C ATOM 811 OG1 THR A 46 -8.098 -18.183 5.732 1.00 0.00 O ATOM 812 CG2 THR A 46 -7.876 -16.169 7.046 1.00 0.00 C ATOM 0 H THR A 46 -5.979 -18.972 4.950 1.00 0.00 H new ATOM 0 HA THR A 46 -6.352 -16.275 4.821 1.00 0.00 H new ATOM 0 HB THR A 46 -6.772 -17.978 7.306 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.843 -18.446 6.312 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.703 -16.490 7.679 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.173 -15.583 7.638 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.260 -15.558 6.229 1.00 0.00 H new ATOM 820 N HIS A 47 -3.961 -17.064 6.901 1.00 0.00 N ATOM 821 CA HIS A 47 -2.886 -16.531 7.730 1.00 0.00 C ATOM 822 C HIS A 47 -1.999 -15.585 6.926 1.00 0.00 C ATOM 823 O HIS A 47 -1.568 -14.545 7.427 1.00 0.00 O ATOM 824 CB HIS A 47 -2.046 -17.670 8.308 1.00 0.00 C ATOM 825 CG HIS A 47 -1.329 -17.304 9.571 1.00 0.00 C ATOM 826 ND1 HIS A 47 -1.981 -16.886 10.712 1.00 0.00 N ATOM 827 CD2 HIS A 47 -0.009 -17.298 9.870 1.00 0.00 C ATOM 828 CE1 HIS A 47 -1.093 -16.637 11.658 1.00 0.00 C ATOM 829 NE2 HIS A 47 0.111 -16.879 11.173 1.00 0.00 N ATOM 0 H HIS A 47 -3.898 -18.066 6.722 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.336 -15.971 8.550 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.693 -18.525 8.502 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.315 -17.986 7.563 1.00 0.00 H new ATOM 0 HD2 HIS A 47 0.799 -17.572 9.208 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.314 -16.294 12.658 1.00 0.00 H new ATOM 0 HE2 HIS A 47 0.988 -16.772 11.683 1.00 0.00 H new ATOM 838 N LEU A 48 -1.729 -15.953 5.678 1.00 0.00 N ATOM 839 CA LEU A 48 -0.892 -15.137 4.805 1.00 0.00 C ATOM 840 C LEU A 48 -1.587 -13.827 4.452 1.00 0.00 C ATOM 841 O LEU A 48 -1.011 -12.748 4.594 1.00 0.00 O ATOM 842 CB LEU A 48 -0.551 -15.907 3.528 1.00 0.00 C ATOM 843 CG LEU A 48 0.563 -15.316 2.664 1.00 0.00 C ATOM 844 CD1 LEU A 48 1.259 -16.409 1.868 1.00 0.00 C ATOM 845 CD2 LEU A 48 0.007 -14.248 1.733 1.00 0.00 C ATOM 0 H LEU A 48 -2.077 -16.810 5.248 1.00 0.00 H new ATOM 0 HA LEU A 48 0.029 -14.905 5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.268 -16.923 3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.453 -15.981 2.921 1.00 0.00 H new ATOM 0 HG LEU A 48 1.297 -14.850 3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.049 -15.969 1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.692 -17.138 2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.535 -16.905 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.814 -13.839 1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.748 -14.690 1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.444 -13.450 2.323 1.00 0.00 H new ATOM 857 N ARG A 49 -2.830 -13.928 3.993 1.00 0.00 N ATOM 858 CA ARG A 49 -3.605 -12.750 3.620 1.00 0.00 C ATOM 859 C ARG A 49 -3.955 -11.918 4.851 1.00 0.00 C ATOM 860 O ARG A 49 -4.019 -10.691 4.783 1.00 0.00 O ATOM 861 CB ARG A 49 -4.885 -13.165 2.892 1.00 0.00 C ATOM 862 CG ARG A 49 -5.489 -14.459 3.411 1.00 0.00 C ATOM 863 CD ARG A 49 -6.950 -14.591 3.012 1.00 0.00 C ATOM 864 NE ARG A 49 -7.837 -13.899 3.942 1.00 0.00 N ATOM 865 CZ ARG A 49 -9.150 -13.795 3.768 1.00 0.00 C ATOM 866 NH1 ARG A 49 -9.726 -14.338 2.704 1.00 0.00 N ATOM 867 NH2 ARG A 49 -9.890 -13.149 4.660 1.00 0.00 N ATOM 0 H ARG A 49 -3.322 -14.813 3.870 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.996 -12.142 2.952 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.621 -12.367 2.986 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.669 -13.275 1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.926 -15.307 3.021 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.403 -14.492 4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.090 -14.187 2.009 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.220 -15.646 2.971 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.426 -13.471 4.772 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.161 -14.837 2.017 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.734 -14.257 2.573 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.451 -12.731 5.481 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.898 -13.070 4.525 1.00 0.00 H new ATOM 881 N GLN A 50 -4.180 -12.595 5.972 1.00 0.00 N ATOM 882 CA GLN A 50 -4.524 -11.918 7.217 1.00 0.00 C ATOM 883 C GLN A 50 -3.450 -10.906 7.601 1.00 0.00 C ATOM 884 O GLN A 50 -3.753 -9.819 8.093 1.00 0.00 O ATOM 885 CB GLN A 50 -4.708 -12.937 8.343 1.00 0.00 C ATOM 886 CG GLN A 50 -4.441 -12.369 9.727 1.00 0.00 C ATOM 887 CD GLN A 50 -5.119 -13.165 10.825 1.00 0.00 C ATOM 888 OE1 GLN A 50 -4.732 -14.296 11.117 1.00 0.00 O ATOM 889 NE2 GLN A 50 -6.137 -12.576 11.441 1.00 0.00 N ATOM 0 H GLN A 50 -4.130 -13.611 6.044 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.462 -11.384 7.064 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.726 -13.324 8.309 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.040 -13.781 8.171 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.366 -12.351 9.907 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.788 -11.336 9.765 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.425 -11.637 11.167 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.631 -13.063 12.189 1.00 0.00 H new ATOM 898 N LYS A 51 -2.193 -11.271 7.374 1.00 0.00 N ATOM 899 CA LYS A 51 -1.072 -10.396 7.695 1.00 0.00 C ATOM 900 C LYS A 51 -1.030 -9.197 6.753 1.00 0.00 C ATOM 901 O LYS A 51 -0.881 -8.056 7.192 1.00 0.00 O ATOM 902 CB LYS A 51 0.246 -11.169 7.612 1.00 0.00 C ATOM 903 CG LYS A 51 1.473 -10.308 7.857 1.00 0.00 C ATOM 904 CD LYS A 51 1.999 -9.706 6.565 1.00 0.00 C ATOM 905 CE LYS A 51 3.485 -9.394 6.659 1.00 0.00 C ATOM 906 NZ LYS A 51 3.751 -8.225 7.542 1.00 0.00 N ATOM 0 H LYS A 51 -1.925 -12.168 6.969 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.209 -10.032 8.713 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.229 -11.979 8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.326 -11.629 6.627 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.225 -9.510 8.557 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.253 -10.909 8.323 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.823 -10.398 5.742 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.448 -8.793 6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.016 -10.266 7.041 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.878 -9.193 5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.775 -8.044 7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.265 -7.387 7.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.399 -8.426 8.500 1.00 0.00 H new ATOM 920 N TRP A 52 -1.164 -9.462 5.459 1.00 0.00 N ATOM 921 CA TRP A 52 -1.143 -8.404 4.456 1.00 0.00 C ATOM 922 C TRP A 52 -2.328 -7.462 4.633 1.00 0.00 C ATOM 923 O TRP A 52 -2.215 -6.258 4.402 1.00 0.00 O ATOM 924 CB TRP A 52 -1.160 -9.006 3.049 1.00 0.00 C ATOM 925 CG TRP A 52 0.131 -9.666 2.670 1.00 0.00 C ATOM 926 CD1 TRP A 52 0.299 -10.954 2.248 1.00 0.00 C ATOM 927 CD2 TRP A 52 1.433 -9.072 2.680 1.00 0.00 C ATOM 928 NE1 TRP A 52 1.628 -11.196 1.996 1.00 0.00 N ATOM 929 CE2 TRP A 52 2.344 -10.057 2.252 1.00 0.00 C ATOM 930 CE3 TRP A 52 1.918 -7.802 3.008 1.00 0.00 C ATOM 931 CZ2 TRP A 52 3.710 -9.810 2.145 1.00 0.00 C ATOM 932 CZ3 TRP A 52 3.274 -7.559 2.901 1.00 0.00 C ATOM 933 CH2 TRP A 52 4.158 -8.559 2.472 1.00 0.00 C ATOM 0 H TRP A 52 -1.288 -10.401 5.079 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.225 -7.831 4.588 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -1.966 -9.737 2.984 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.383 -8.220 2.328 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.496 -11.676 2.130 1.00 0.00 H new ATOM 0 HE1 TRP A 52 2.018 -12.081 1.671 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.245 -7.025 3.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.393 -10.579 1.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.660 -6.582 3.152 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.213 -8.338 2.398 1.00 0.00 H new ATOM 944 N GLN A 53 -3.464 -8.017 5.045 1.00 0.00 N ATOM 945 CA GLN A 53 -4.670 -7.225 5.252 1.00 0.00 C ATOM 946 C GLN A 53 -4.410 -6.085 6.232 1.00 0.00 C ATOM 947 O GLN A 53 -4.968 -4.997 6.094 1.00 0.00 O ATOM 948 CB GLN A 53 -5.804 -8.110 5.771 1.00 0.00 C ATOM 949 CG GLN A 53 -7.047 -7.333 6.175 1.00 0.00 C ATOM 950 CD GLN A 53 -8.005 -7.122 5.020 1.00 0.00 C ATOM 951 OE1 GLN A 53 -7.934 -6.115 4.315 1.00 0.00 O ATOM 952 NE2 GLN A 53 -8.910 -8.073 4.820 1.00 0.00 N ATOM 0 H GLN A 53 -3.574 -9.012 5.242 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.963 -6.797 4.293 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.072 -8.832 5.000 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.446 -8.678 6.629 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.560 -7.867 6.975 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.750 -6.364 6.577 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.933 -8.891 5.429 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.582 -7.985 4.058 1.00 0.00 H new ATOM 961 N GLN A 54 -3.561 -6.343 7.221 1.00 0.00 N ATOM 962 CA GLN A 54 -3.229 -5.339 8.225 1.00 0.00 C ATOM 963 C GLN A 54 -2.441 -4.190 7.604 1.00 0.00 C ATOM 964 O GLN A 54 -2.678 -3.022 7.915 1.00 0.00 O ATOM 965 CB GLN A 54 -2.423 -5.970 9.362 1.00 0.00 C ATOM 966 CG GLN A 54 -1.995 -4.975 10.428 1.00 0.00 C ATOM 967 CD GLN A 54 -3.104 -4.663 11.414 1.00 0.00 C ATOM 968 OE1 GLN A 54 -3.292 -5.375 12.401 1.00 0.00 O ATOM 969 NE2 GLN A 54 -3.845 -3.593 11.152 1.00 0.00 N ATOM 0 H GLN A 54 -3.090 -7.239 7.349 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.161 -4.942 8.628 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.020 -6.755 9.827 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.536 -6.448 8.946 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.136 -5.373 10.968 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.670 -4.052 9.948 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.654 -3.031 10.322 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.605 -3.333 11.780 1.00 0.00 H new ATOM 978 N VAL A 55 -1.503 -4.528 6.726 1.00 0.00 N ATOM 979 CA VAL A 55 -0.680 -3.524 6.061 1.00 0.00 C ATOM 980 C VAL A 55 -1.504 -2.704 5.075 1.00 0.00 C ATOM 981 O VAL A 55 -1.270 -1.508 4.899 1.00 0.00 O ATOM 982 CB VAL A 55 0.500 -4.172 5.313 1.00 0.00 C ATOM 983 CG1 VAL A 55 1.490 -3.111 4.858 1.00 0.00 C ATOM 984 CG2 VAL A 55 1.184 -5.208 6.193 1.00 0.00 C ATOM 0 H VAL A 55 -1.293 -5.490 6.458 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.291 -2.867 6.839 1.00 0.00 H new ATOM 0 HB VAL A 55 0.113 -4.678 4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.317 -3.587 4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.990 -2.410 4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.873 -2.575 5.726 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.015 -5.656 5.649 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.559 -4.727 7.097 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.468 -5.984 6.465 1.00 0.00 H new ATOM 994 N TRP A 56 -2.468 -3.355 4.434 1.00 0.00 N ATOM 995 CA TRP A 56 -3.328 -2.685 3.465 1.00 0.00 C ATOM 996 C TRP A 56 -4.062 -1.513 4.106 1.00 0.00 C ATOM 997 O TRP A 56 -4.364 -0.521 3.443 1.00 0.00 O ATOM 998 CB TRP A 56 -4.336 -3.674 2.877 1.00 0.00 C ATOM 999 CG TRP A 56 -5.204 -3.075 1.812 1.00 0.00 C ATOM 1000 CD1 TRP A 56 -5.050 -3.202 0.461 1.00 0.00 C ATOM 1001 CD2 TRP A 56 -6.361 -2.255 2.010 1.00 0.00 C ATOM 1002 NE1 TRP A 56 -6.040 -2.510 -0.192 1.00 0.00 N ATOM 1003 CE2 TRP A 56 -6.858 -1.920 0.735 1.00 0.00 C ATOM 1004 CE3 TRP A 56 -7.026 -1.772 3.140 1.00 0.00 C ATOM 1005 CZ2 TRP A 56 -7.987 -1.125 0.562 1.00 0.00 C ATOM 1006 CZ3 TRP A 56 -8.147 -0.982 2.967 1.00 0.00 C ATOM 1007 CH2 TRP A 56 -8.619 -0.665 1.686 1.00 0.00 C ATOM 0 H TRP A 56 -2.674 -4.345 4.567 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.698 -2.299 2.664 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.798 -4.526 2.461 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -4.968 -4.057 3.678 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -4.265 -3.764 -0.023 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -6.149 -2.446 -1.204 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.670 -2.012 4.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -8.352 -0.879 -0.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -8.668 -0.603 3.834 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -9.498 -0.046 1.584 1.00 0.00 H new ATOM 1018 N GLN A 57 -4.347 -1.634 5.399 1.00 0.00 N ATOM 1019 CA GLN A 57 -5.046 -0.584 6.129 1.00 0.00 C ATOM 1020 C GLN A 57 -4.135 0.618 6.360 1.00 0.00 C ATOM 1021 O GLN A 57 -4.505 1.754 6.064 1.00 0.00 O ATOM 1022 CB GLN A 57 -5.556 -1.117 7.469 1.00 0.00 C ATOM 1023 CG GLN A 57 -6.483 -2.314 7.334 1.00 0.00 C ATOM 1024 CD GLN A 57 -7.085 -2.737 8.660 1.00 0.00 C ATOM 1025 OE1 GLN A 57 -6.367 -3.064 9.605 1.00 0.00 O ATOM 1026 NE2 GLN A 57 -8.411 -2.734 8.735 1.00 0.00 N ATOM 0 H GLN A 57 -4.104 -2.449 5.962 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.896 -0.263 5.527 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.703 -1.396 8.088 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.081 -0.318 7.992 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.284 -2.071 6.636 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.930 -3.151 6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.967 -2.455 7.926 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.873 -3.010 9.601 1.00 0.00 H new ATOM 1035 N GLU A 58 -2.944 0.358 6.890 1.00 0.00 N ATOM 1036 CA GLU A 58 -1.982 1.420 7.161 1.00 0.00 C ATOM 1037 C GLU A 58 -1.514 2.074 5.864 1.00 0.00 C ATOM 1038 O GLU A 58 -1.299 3.286 5.811 1.00 0.00 O ATOM 1039 CB GLU A 58 -0.780 0.865 7.928 1.00 0.00 C ATOM 1040 CG GLU A 58 0.177 0.064 7.062 1.00 0.00 C ATOM 1041 CD GLU A 58 1.472 -0.269 7.777 1.00 0.00 C ATOM 1042 OE1 GLU A 58 1.414 -0.936 8.831 1.00 0.00 O ATOM 1043 OE2 GLU A 58 2.544 0.138 7.282 1.00 0.00 O ATOM 0 H GLU A 58 -2.623 -0.577 7.140 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.476 2.176 7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.237 1.693 8.385 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.138 0.232 8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.309 -0.860 6.749 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.401 0.628 6.157 1.00 0.00 H new ATOM 1050 N ILE A 59 -1.358 1.265 4.823 1.00 0.00 N ATOM 1051 CA ILE A 59 -0.917 1.764 3.526 1.00 0.00 C ATOM 1052 C ILE A 59 -1.995 2.621 2.871 1.00 0.00 C ATOM 1053 O ILE A 59 -1.713 3.700 2.351 1.00 0.00 O ATOM 1054 CB ILE A 59 -0.545 0.611 2.575 1.00 0.00 C ATOM 1055 CG1 ILE A 59 0.713 -0.104 3.073 1.00 0.00 C ATOM 1056 CG2 ILE A 59 -0.339 1.136 1.162 1.00 0.00 C ATOM 1057 CD1 ILE A 59 0.967 -1.427 2.387 1.00 0.00 C ATOM 0 H ILE A 59 -1.530 0.260 4.852 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.032 2.374 3.707 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.365 -0.107 2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.575 0.546 2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.625 -0.271 4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.077 0.310 0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.258 1.604 0.810 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.466 1.871 1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.874 -1.877 2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.123 -2.095 2.560 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.087 -1.264 1.316 1.00 0.00 H new ATOM 1069 N ASN A 60 -3.231 2.133 2.902 1.00 0.00 N ATOM 1070 CA ASN A 60 -4.352 2.855 2.313 1.00 0.00 C ATOM 1071 C ASN A 60 -4.477 4.252 2.913 1.00 0.00 C ATOM 1072 O ASN A 60 -4.700 5.230 2.199 1.00 0.00 O ATOM 1073 CB ASN A 60 -5.654 2.079 2.525 1.00 0.00 C ATOM 1074 CG ASN A 60 -6.864 2.990 2.605 1.00 0.00 C ATOM 1075 OD1 ASN A 60 -7.363 3.469 1.587 1.00 0.00 O ATOM 1076 ND2 ASN A 60 -7.341 3.234 3.820 1.00 0.00 N ATOM 0 H ASN A 60 -3.481 1.241 3.329 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.165 2.954 1.244 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.789 1.371 1.707 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.581 1.496 3.443 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.153 3.840 3.937 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.895 2.815 4.636 1.00 0.00 H new ATOM 1083 N VAL A 61 -4.330 4.339 4.231 1.00 0.00 N ATOM 1084 CA VAL A 61 -4.423 5.616 4.929 1.00 0.00 C ATOM 1085 C VAL A 61 -3.186 6.470 4.679 1.00 0.00 C ATOM 1086 O VAL A 61 -3.278 7.691 4.551 1.00 0.00 O ATOM 1087 CB VAL A 61 -4.598 5.415 6.446 1.00 0.00 C ATOM 1088 CG1 VAL A 61 -4.725 6.757 7.151 1.00 0.00 C ATOM 1089 CG2 VAL A 61 -5.806 4.537 6.731 1.00 0.00 C ATOM 0 H VAL A 61 -4.146 3.540 4.837 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.300 6.129 4.535 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.712 4.911 6.833 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.848 6.595 8.222 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.826 7.347 6.974 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.592 7.291 6.763 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.914 4.406 7.808 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.703 5.011 6.331 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.668 3.564 6.259 1.00 0.00 H new ATOM 1099 N GLU A 62 -2.028 5.820 4.611 1.00 0.00 N ATOM 1100 CA GLU A 62 -0.771 6.522 4.377 1.00 0.00 C ATOM 1101 C GLU A 62 -0.862 7.399 3.132 1.00 0.00 C ATOM 1102 O GLU A 62 -0.481 8.569 3.155 1.00 0.00 O ATOM 1103 CB GLU A 62 0.377 5.521 4.228 1.00 0.00 C ATOM 1104 CG GLU A 62 1.633 6.123 3.622 1.00 0.00 C ATOM 1105 CD GLU A 62 2.293 7.138 4.535 1.00 0.00 C ATOM 1106 OE1 GLU A 62 1.609 7.647 5.448 1.00 0.00 O ATOM 1107 OE2 GLU A 62 3.492 7.424 4.337 1.00 0.00 O ATOM 0 H GLU A 62 -1.934 4.810 4.715 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.575 7.162 5.237 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.618 5.109 5.208 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.045 4.690 3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.342 5.326 3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.382 6.601 2.675 1.00 0.00 H new ATOM 1114 N ALA A 63 -1.368 6.824 2.046 1.00 0.00 N ATOM 1115 CA ALA A 63 -1.510 7.552 0.791 1.00 0.00 C ATOM 1116 C ALA A 63 -2.349 8.812 0.980 1.00 0.00 C ATOM 1117 O ALA A 63 -2.066 9.853 0.387 1.00 0.00 O ATOM 1118 CB ALA A 63 -2.130 6.657 -0.271 1.00 0.00 C ATOM 0 H ALA A 63 -1.687 5.856 2.010 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.516 7.854 0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.230 7.214 -1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.491 5.789 -0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.114 6.326 0.061 1.00 0.00 H new ATOM 1124 N LYS A 64 -3.383 8.710 1.808 1.00 0.00 N ATOM 1125 CA LYS A 64 -4.264 9.840 2.075 1.00 0.00 C ATOM 1126 C LYS A 64 -3.489 10.999 2.694 1.00 0.00 C ATOM 1127 O LYS A 64 -3.782 12.165 2.430 1.00 0.00 O ATOM 1128 CB LYS A 64 -5.401 9.418 3.008 1.00 0.00 C ATOM 1129 CG LYS A 64 -6.671 10.231 2.825 1.00 0.00 C ATOM 1130 CD LYS A 64 -6.661 11.482 3.687 1.00 0.00 C ATOM 1131 CE LYS A 64 -7.116 11.184 5.108 1.00 0.00 C ATOM 1132 NZ LYS A 64 -8.591 10.996 5.189 1.00 0.00 N ATOM 0 H LYS A 64 -3.631 7.855 2.306 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.685 10.172 1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.626 8.365 2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.066 9.511 4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.777 10.511 1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.536 9.619 3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.656 11.904 3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.314 12.235 3.245 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.615 10.286 5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.817 12.001 5.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.885 10.981 6.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.068 11.780 4.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.852 10.096 4.738 1.00 0.00 H new ATOM 1146 N GLN A 65 -2.498 10.670 3.517 1.00 0.00 N ATOM 1147 CA GLN A 65 -1.681 11.685 4.172 1.00 0.00 C ATOM 1148 C GLN A 65 -0.973 12.561 3.144 1.00 0.00 C ATOM 1149 O GLN A 65 -0.940 13.785 3.272 1.00 0.00 O ATOM 1150 CB GLN A 65 -0.653 11.025 5.093 1.00 0.00 C ATOM 1151 CG GLN A 65 -1.269 10.343 6.303 1.00 0.00 C ATOM 1152 CD GLN A 65 -1.512 11.301 7.453 1.00 0.00 C ATOM 1153 OE1 GLN A 65 -2.645 11.709 7.707 1.00 0.00 O ATOM 1154 NE2 GLN A 65 -0.445 11.665 8.155 1.00 0.00 N ATOM 0 H GLN A 65 -2.242 9.710 3.746 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.339 12.317 4.768 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.085 10.290 4.522 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.055 11.780 5.434 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.213 9.882 6.014 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.611 9.540 6.637 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.476 11.302 7.909 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.546 12.308 8.940 1.00 0.00 H new ATOM 1163 N VAL A 66 -0.406 11.926 2.123 1.00 0.00 N ATOM 1164 CA VAL A 66 0.302 12.647 1.071 1.00 0.00 C ATOM 1165 C VAL A 66 -0.583 13.723 0.452 1.00 0.00 C ATOM 1166 O VAL A 66 -0.106 14.794 0.075 1.00 0.00 O ATOM 1167 CB VAL A 66 0.783 11.692 -0.038 1.00 0.00 C ATOM 1168 CG1 VAL A 66 1.298 12.480 -1.233 1.00 0.00 C ATOM 1169 CG2 VAL A 66 1.855 10.755 0.496 1.00 0.00 C ATOM 0 H VAL A 66 -0.423 10.913 2.002 1.00 0.00 H new ATOM 0 HA VAL A 66 1.169 13.117 1.536 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.063 11.089 -0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.634 11.790 -2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.498 13.106 -1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.132 13.109 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.184 10.087 -0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.703 11.339 0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.447 10.167 1.318 1.00 0.00 H new ATOM 1179 N LYS A 67 -1.875 13.432 0.350 1.00 0.00 N ATOM 1180 CA LYS A 67 -2.830 14.374 -0.222 1.00 0.00 C ATOM 1181 C LYS A 67 -2.812 15.696 0.539 1.00 0.00 C ATOM 1182 O LYS A 67 -3.019 16.761 -0.043 1.00 0.00 O ATOM 1183 CB LYS A 67 -4.240 13.780 -0.201 1.00 0.00 C ATOM 1184 CG LYS A 67 -5.226 14.524 -1.084 1.00 0.00 C ATOM 1185 CD LYS A 67 -6.529 13.756 -1.235 1.00 0.00 C ATOM 1186 CE LYS A 67 -6.467 12.779 -2.399 1.00 0.00 C ATOM 1187 NZ LYS A 67 -7.549 11.758 -2.324 1.00 0.00 N ATOM 0 H LYS A 67 -2.286 12.550 0.656 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.539 14.565 -1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.192 12.739 -0.521 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.610 13.781 0.824 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.429 15.506 -0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.784 14.689 -2.067 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.742 13.213 -0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.350 14.456 -1.389 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.549 13.327 -3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.497 12.281 -2.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.473 11.111 -3.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.456 11.218 -1.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.475 12.231 -2.345 1.00 0.00 H new ATOM 1201 N ASP A 68 -2.562 15.620 1.842 1.00 0.00 N ATOM 1202 CA ASP A 68 -2.514 16.811 2.682 1.00 0.00 C ATOM 1203 C ASP A 68 -1.168 17.517 2.549 1.00 0.00 C ATOM 1204 O ASP A 68 -1.109 18.712 2.261 1.00 0.00 O ATOM 1205 CB ASP A 68 -2.767 16.440 4.144 1.00 0.00 C ATOM 1206 CG ASP A 68 -3.053 17.653 5.008 1.00 0.00 C ATOM 1207 OD1 ASP A 68 -3.996 18.403 4.682 1.00 0.00 O ATOM 1208 OD2 ASP A 68 -2.333 17.852 6.009 1.00 0.00 O ATOM 0 H ASP A 68 -2.390 14.746 2.339 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.296 17.493 2.347 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.609 15.751 4.200 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.898 15.914 4.538 1.00 0.00 H new ATOM 1213 N ILE A 69 -0.090 16.769 2.761 1.00 0.00 N ATOM 1214 CA ILE A 69 1.254 17.323 2.664 1.00 0.00 C ATOM 1215 C ILE A 69 1.501 17.931 1.287 1.00 0.00 C ATOM 1216 O ILE A 69 2.316 18.840 1.136 1.00 0.00 O ATOM 1217 CB ILE A 69 2.326 16.251 2.939 1.00 0.00 C ATOM 1218 CG1 ILE A 69 2.625 15.459 1.665 1.00 0.00 C ATOM 1219 CG2 ILE A 69 1.870 15.321 4.053 1.00 0.00 C ATOM 1220 CD1 ILE A 69 3.616 14.335 1.871 1.00 0.00 C ATOM 0 H ILE A 69 -0.122 15.778 3.001 1.00 0.00 H new ATOM 0 HA ILE A 69 1.329 18.103 3.421 1.00 0.00 H new ATOM 0 HB ILE A 69 3.242 16.747 3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.694 15.045 1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.012 16.139 0.906 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.637 14.569 4.236 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.703 15.898 4.963 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.943 14.829 3.760 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.780 13.817 0.926 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.561 14.744 2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.222 13.633 2.606 1.00 0.00 H new ATOM 1232 N MET A 70 0.789 17.423 0.286 1.00 0.00 N ATOM 1233 CA MET A 70 0.929 17.919 -1.078 1.00 0.00 C ATOM 1234 C MET A 70 -0.032 19.075 -1.338 1.00 0.00 C ATOM 1235 O MET A 70 -1.072 19.189 -0.688 1.00 0.00 O ATOM 1236 CB MET A 70 0.673 16.792 -2.081 1.00 0.00 C ATOM 1237 CG MET A 70 -0.803 16.523 -2.329 1.00 0.00 C ATOM 1238 SD MET A 70 -1.083 15.448 -3.749 1.00 0.00 S ATOM 1239 CE MET A 70 -2.685 16.029 -4.302 1.00 0.00 C ATOM 0 H MET A 70 0.110 16.669 0.394 1.00 0.00 H new ATOM 0 HA MET A 70 1.949 18.283 -1.203 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.152 17.043 -3.027 1.00 0.00 H new ATOM 0 HB3 MET A 70 1.144 15.879 -1.717 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.240 16.066 -1.441 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.319 17.470 -2.487 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.004 15.447 -5.167 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.412 15.913 -3.498 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.615 17.081 -4.578 1.00 0.00 H new