USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 GLN : amide:sc= -0.284 X(o=-0.28,f=0) USER MOD Single : A 10 CYS SG : rot 39:sc= -0.0454 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -150:sc= 0.773 (180deg=0.332) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.0179 X(o=-0.018,f=-0.022) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 84:sc= 1.24 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.65 K(o=-1.7,f=-5.3!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= -2.66 K(o=-2.7,f=-6.9!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -150:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.437 X(o=-0.44,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N VAL A 7 8.083 10.116 -7.650 1.00 0.00 N ATOM 83 CA VAL A 7 8.002 8.780 -8.229 1.00 0.00 C ATOM 84 C VAL A 7 7.012 7.908 -7.463 1.00 0.00 C ATOM 85 O VAL A 7 7.164 7.688 -6.261 1.00 0.00 O ATOM 86 CB VAL A 7 9.377 8.087 -8.238 1.00 0.00 C ATOM 87 CG1 VAL A 7 9.316 6.785 -9.021 1.00 0.00 C ATOM 88 CG2 VAL A 7 10.438 9.013 -8.813 1.00 0.00 C ATOM 0 HA VAL A 7 7.658 8.901 -9.256 1.00 0.00 H new ATOM 0 HB VAL A 7 9.650 7.852 -7.209 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.297 6.311 -9.015 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.588 6.117 -8.561 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.019 6.992 -10.049 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.403 8.506 -8.811 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.171 9.282 -9.835 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.501 9.916 -8.205 1.00 0.00 H new ATOM 98 N GLN A 8 6.000 7.414 -8.167 1.00 0.00 N ATOM 99 CA GLN A 8 4.984 6.566 -7.553 1.00 0.00 C ATOM 100 C GLN A 8 4.936 5.199 -8.228 1.00 0.00 C ATOM 101 O GLN A 8 5.269 5.066 -9.406 1.00 0.00 O ATOM 102 CB GLN A 8 3.612 7.236 -7.635 1.00 0.00 C ATOM 103 CG GLN A 8 3.162 7.530 -9.056 1.00 0.00 C ATOM 104 CD GLN A 8 2.493 8.883 -9.188 1.00 0.00 C ATOM 105 OE1 GLN A 8 3.036 9.800 -9.804 1.00 0.00 O ATOM 106 NE2 GLN A 8 1.304 9.015 -8.609 1.00 0.00 N ATOM 0 H GLN A 8 5.861 7.586 -9.163 1.00 0.00 H new ATOM 0 HA GLN A 8 5.249 6.425 -6.505 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.874 6.593 -7.155 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.638 8.168 -7.071 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.024 7.489 -9.722 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.470 6.753 -9.382 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.890 8.228 -8.108 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.805 9.903 -8.665 1.00 0.00 H new ATOM 115 N ARG A 9 4.520 4.187 -7.475 1.00 0.00 N ATOM 116 CA ARG A 9 4.428 2.829 -8.002 1.00 0.00 C ATOM 117 C ARG A 9 3.084 2.199 -7.653 1.00 0.00 C ATOM 118 O ARG A 9 2.655 2.224 -6.499 1.00 0.00 O ATOM 119 CB ARG A 9 5.568 1.968 -7.451 1.00 0.00 C ATOM 120 CG ARG A 9 6.238 1.100 -8.505 1.00 0.00 C ATOM 121 CD ARG A 9 7.633 1.600 -8.838 1.00 0.00 C ATOM 122 NE ARG A 9 8.376 0.645 -9.659 1.00 0.00 N ATOM 123 CZ ARG A 9 8.828 -0.524 -9.211 1.00 0.00 C ATOM 124 NH1 ARG A 9 8.616 -0.887 -7.953 1.00 0.00 N ATOM 125 NH2 ARG A 9 9.496 -1.331 -10.024 1.00 0.00 N ATOM 0 H ARG A 9 4.241 4.280 -6.498 1.00 0.00 H new ATOM 0 HA ARG A 9 4.512 2.881 -9.088 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.317 2.618 -6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.179 1.328 -6.659 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.295 0.072 -8.148 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.629 1.090 -9.409 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.561 2.552 -9.365 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.181 1.787 -7.915 1.00 0.00 H new ATOM 0 HE ARG A 9 8.559 0.889 -10.632 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.104 -0.269 -7.323 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.965 -1.784 -7.615 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.663 -1.056 -10.992 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.843 -2.227 -9.682 1.00 0.00 H new ATOM 139 N CYS A 10 2.422 1.634 -8.657 1.00 0.00 N ATOM 140 CA CYS A 10 1.125 0.998 -8.456 1.00 0.00 C ATOM 141 C CYS A 10 1.293 -0.436 -7.966 1.00 0.00 C ATOM 142 O CYS A 10 1.616 -1.334 -8.744 1.00 0.00 O ATOM 143 CB CYS A 10 0.317 1.014 -9.756 1.00 0.00 C ATOM 144 SG CYS A 10 1.168 0.261 -11.163 1.00 0.00 S ATOM 0 H CYS A 10 2.762 1.603 -9.618 1.00 0.00 H new ATOM 0 HA CYS A 10 0.586 1.563 -7.695 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.625 0.491 -9.592 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.069 2.046 -10.005 1.00 0.00 H new ATOM 0 HG CYS A 10 1.819 -0.791 -10.764 1.00 0.00 H new ATOM 150 N VAL A 11 1.072 -0.643 -6.673 1.00 0.00 N ATOM 151 CA VAL A 11 1.200 -1.969 -6.079 1.00 0.00 C ATOM 152 C VAL A 11 -0.144 -2.690 -6.049 1.00 0.00 C ATOM 153 O VAL A 11 -1.143 -2.141 -5.585 1.00 0.00 O ATOM 154 CB VAL A 11 1.758 -1.890 -4.645 1.00 0.00 C ATOM 155 CG1 VAL A 11 3.234 -1.524 -4.665 1.00 0.00 C ATOM 156 CG2 VAL A 11 0.965 -0.891 -3.818 1.00 0.00 C ATOM 0 H VAL A 11 0.803 0.090 -6.016 1.00 0.00 H new ATOM 0 HA VAL A 11 1.897 -2.529 -6.703 1.00 0.00 H new ATOM 0 HB VAL A 11 1.657 -2.871 -4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.610 -1.473 -3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.789 -2.281 -5.219 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.362 -0.555 -5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.374 -0.849 -2.808 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.031 0.095 -4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.079 -1.202 -3.774 1.00 0.00 H new ATOM 166 N ILE A 12 -0.160 -3.923 -6.548 1.00 0.00 N ATOM 167 CA ILE A 12 -1.381 -4.718 -6.577 1.00 0.00 C ATOM 168 C ILE A 12 -1.338 -5.830 -5.535 1.00 0.00 C ATOM 169 O ILE A 12 -0.632 -6.824 -5.703 1.00 0.00 O ATOM 170 CB ILE A 12 -1.614 -5.339 -7.967 1.00 0.00 C ATOM 171 CG1 ILE A 12 -1.436 -4.284 -9.062 1.00 0.00 C ATOM 172 CG2 ILE A 12 -2.999 -5.964 -8.042 1.00 0.00 C ATOM 173 CD1 ILE A 12 -0.153 -4.441 -9.849 1.00 0.00 C ATOM 0 H ILE A 12 0.658 -4.392 -6.937 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.204 -4.042 -6.348 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.874 -6.123 -8.126 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.282 -4.337 -9.747 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.455 -3.293 -8.608 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.149 -6.399 -9.030 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.088 -6.744 -7.285 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.754 -5.198 -7.864 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.093 -3.660 -10.607 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.700 -4.358 -9.175 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.140 -5.418 -10.332 1.00 0.00 H new ATOM 185 N ILE A 13 -2.100 -5.656 -4.459 1.00 0.00 N ATOM 186 CA ILE A 13 -2.149 -6.646 -3.389 1.00 0.00 C ATOM 187 C ILE A 13 -3.358 -7.561 -3.544 1.00 0.00 C ATOM 188 O ILE A 13 -4.485 -7.093 -3.707 1.00 0.00 O ATOM 189 CB ILE A 13 -2.203 -5.976 -2.003 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.177 -4.843 -1.915 1.00 0.00 C ATOM 191 CG2 ILE A 13 -1.959 -7.004 -0.909 1.00 0.00 C ATOM 192 CD1 ILE A 13 -1.780 -3.468 -2.103 1.00 0.00 C ATOM 0 H ILE A 13 -2.691 -4.839 -4.305 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.236 -7.236 -3.463 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.196 -5.550 -1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.683 -4.885 -0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.408 -5.000 -2.671 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.000 -6.516 0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.725 -7.778 -0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.977 -7.456 -1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.997 -2.714 -2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.249 -3.408 -3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.529 -3.291 -1.331 1.00 0.00 H new ATOM 204 N GLN A 14 -3.118 -8.866 -3.491 1.00 0.00 N ATOM 205 CA GLN A 14 -4.189 -9.847 -3.626 1.00 0.00 C ATOM 206 C GLN A 14 -4.667 -10.319 -2.256 1.00 0.00 C ATOM 207 O GLN A 14 -3.869 -10.747 -1.423 1.00 0.00 O ATOM 208 CB GLN A 14 -3.716 -11.042 -4.456 1.00 0.00 C ATOM 209 CG GLN A 14 -2.582 -11.821 -3.810 1.00 0.00 C ATOM 210 CD GLN A 14 -1.596 -12.364 -4.826 1.00 0.00 C ATOM 211 OE1 GLN A 14 -1.868 -13.357 -5.500 1.00 0.00 O ATOM 212 NE2 GLN A 14 -0.443 -11.715 -4.937 1.00 0.00 N ATOM 0 H GLN A 14 -2.191 -9.270 -3.355 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.024 -9.369 -4.138 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.558 -11.714 -4.623 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.391 -10.688 -5.435 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.056 -11.175 -3.108 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.996 -12.648 -3.233 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.261 -10.896 -4.357 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.261 -12.036 -5.602 1.00 0.00 H new ATOM 221 N LYS A 15 -5.975 -10.239 -2.032 1.00 0.00 N ATOM 222 CA LYS A 15 -6.561 -10.658 -0.764 1.00 0.00 C ATOM 223 C LYS A 15 -6.392 -12.159 -0.555 1.00 0.00 C ATOM 224 O LYS A 15 -6.671 -12.956 -1.452 1.00 0.00 O ATOM 225 CB LYS A 15 -8.045 -10.288 -0.718 1.00 0.00 C ATOM 226 CG LYS A 15 -8.678 -10.484 0.649 1.00 0.00 C ATOM 227 CD LYS A 15 -9.763 -9.451 0.913 1.00 0.00 C ATOM 228 CE LYS A 15 -11.117 -9.929 0.417 1.00 0.00 C ATOM 229 NZ LYS A 15 -11.324 -9.618 -1.024 1.00 0.00 N ATOM 0 H LYS A 15 -6.649 -9.888 -2.712 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.038 -10.138 0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.161 -9.246 -1.017 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.584 -10.891 -1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.104 -11.485 0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.911 -10.413 1.420 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.818 -9.244 1.982 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.503 -8.514 0.420 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.201 -11.005 0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.905 -9.460 1.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.338 -9.473 -1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.801 -8.754 -1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.978 -10.410 -1.603 1.00 0.00 H new ATOM 243 N ASP A 16 -5.936 -12.539 0.634 1.00 0.00 N ATOM 244 CA ASP A 16 -5.732 -13.945 0.961 1.00 0.00 C ATOM 245 C ASP A 16 -6.934 -14.510 1.708 1.00 0.00 C ATOM 246 O ASP A 16 -7.972 -13.857 1.818 1.00 0.00 O ATOM 247 CB ASP A 16 -4.466 -14.116 1.803 1.00 0.00 C ATOM 248 CG ASP A 16 -3.275 -13.387 1.213 1.00 0.00 C ATOM 249 OD1 ASP A 16 -3.116 -13.413 -0.025 1.00 0.00 O ATOM 250 OD2 ASP A 16 -2.501 -12.787 1.990 1.00 0.00 O ATOM 0 H ASP A 16 -5.701 -11.893 1.387 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.616 -14.496 0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.651 -13.746 2.812 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.232 -15.177 1.890 1.00 0.00 H new ATOM 255 N ASP A 17 -6.788 -15.727 2.222 1.00 0.00 N ATOM 256 CA ASP A 17 -7.862 -16.380 2.960 1.00 0.00 C ATOM 257 C ASP A 17 -8.248 -15.571 4.194 1.00 0.00 C ATOM 258 O ASP A 17 -9.408 -15.563 4.606 1.00 0.00 O ATOM 259 CB ASP A 17 -7.442 -17.792 3.373 1.00 0.00 C ATOM 260 CG ASP A 17 -8.628 -18.679 3.691 1.00 0.00 C ATOM 261 OD1 ASP A 17 -9.695 -18.490 3.071 1.00 0.00 O ATOM 262 OD2 ASP A 17 -8.491 -19.565 4.562 1.00 0.00 O ATOM 0 H ASP A 17 -5.935 -16.281 2.141 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.730 -16.444 2.304 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.859 -18.244 2.570 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.791 -17.734 4.246 1.00 0.00 H new ATOM 267 N ASN A 18 -7.267 -14.891 4.780 1.00 0.00 N ATOM 268 CA ASN A 18 -7.505 -14.078 5.968 1.00 0.00 C ATOM 269 C ASN A 18 -7.807 -12.633 5.586 1.00 0.00 C ATOM 270 O ASN A 18 -8.630 -11.971 6.221 1.00 0.00 O ATOM 271 CB ASN A 18 -6.290 -14.133 6.897 1.00 0.00 C ATOM 272 CG ASN A 18 -6.507 -15.059 8.077 1.00 0.00 C ATOM 273 OD1 ASN A 18 -7.334 -14.791 8.950 1.00 0.00 O ATOM 274 ND2 ASN A 18 -5.763 -16.159 8.110 1.00 0.00 N ATOM 0 H ASN A 18 -6.301 -14.887 4.452 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.372 -14.483 6.491 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.419 -14.466 6.332 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.069 -13.130 7.262 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.865 -16.821 8.880 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.090 -16.342 7.366 1.00 0.00 H new ATOM 281 N GLY A 19 -7.137 -12.146 4.546 1.00 0.00 N ATOM 282 CA GLY A 19 -7.348 -10.782 4.099 1.00 0.00 C ATOM 283 C GLY A 19 -6.094 -10.163 3.512 1.00 0.00 C ATOM 284 O GLY A 19 -5.694 -10.495 2.398 1.00 0.00 O ATOM 0 H GLY A 19 -6.451 -12.673 4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.141 -10.767 3.351 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.689 -10.177 4.939 1.00 0.00 H new ATOM 288 N PHE A 20 -5.474 -9.262 4.268 1.00 0.00 N ATOM 289 CA PHE A 20 -4.257 -8.597 3.817 1.00 0.00 C ATOM 290 C PHE A 20 -3.169 -8.674 4.883 1.00 0.00 C ATOM 291 O PHE A 20 -3.277 -8.055 5.943 1.00 0.00 O ATOM 292 CB PHE A 20 -4.549 -7.135 3.475 1.00 0.00 C ATOM 293 CG PHE A 20 -5.544 -6.966 2.363 1.00 0.00 C ATOM 294 CD1 PHE A 20 -5.161 -7.134 1.041 1.00 0.00 C ATOM 295 CD2 PHE A 20 -6.862 -6.639 2.639 1.00 0.00 C ATOM 296 CE1 PHE A 20 -6.074 -6.979 0.016 1.00 0.00 C ATOM 297 CE2 PHE A 20 -7.779 -6.482 1.618 1.00 0.00 C ATOM 298 CZ PHE A 20 -7.386 -6.653 0.305 1.00 0.00 C ATOM 0 H PHE A 20 -5.794 -8.976 5.194 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.901 -9.109 2.923 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.922 -6.630 4.366 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.617 -6.643 3.196 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.137 -7.389 0.810 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.176 -6.505 3.664 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.763 -7.112 -1.010 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.803 -6.226 1.846 1.00 0.00 H new ATOM 0 HZ PHE A 20 -8.102 -6.532 -0.494 1.00 0.00 H new ATOM 308 N GLY A 21 -2.120 -9.438 4.597 1.00 0.00 N ATOM 309 CA GLY A 21 -1.026 -9.583 5.539 1.00 0.00 C ATOM 310 C GLY A 21 -0.385 -8.253 5.893 1.00 0.00 C ATOM 311 O GLY A 21 0.083 -8.063 7.016 1.00 0.00 O ATOM 0 H GLY A 21 -2.008 -9.960 3.728 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.394 -10.059 6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.271 -10.245 5.115 1.00 0.00 H new ATOM 315 N LEU A 22 -0.365 -7.334 4.935 1.00 0.00 N ATOM 316 CA LEU A 22 0.223 -6.019 5.150 1.00 0.00 C ATOM 317 C LEU A 22 -0.612 -5.205 6.132 1.00 0.00 C ATOM 318 O LEU A 22 -1.842 -5.244 6.097 1.00 0.00 O ATOM 319 CB LEU A 22 0.347 -5.268 3.823 1.00 0.00 C ATOM 320 CG LEU A 22 -0.980 -4.953 3.130 1.00 0.00 C ATOM 321 CD1 LEU A 22 -1.508 -3.598 3.577 1.00 0.00 C ATOM 322 CD2 LEU A 22 -0.813 -4.989 1.617 1.00 0.00 C ATOM 0 H LEU A 22 -0.750 -7.476 4.001 1.00 0.00 H new ATOM 0 HA LEU A 22 1.218 -6.158 5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.877 -4.333 4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.962 -5.859 3.145 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.706 -5.715 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.452 -3.391 3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.666 -3.607 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.784 -2.824 3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.767 -4.763 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.072 -4.249 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.481 -5.981 1.311 1.00 0.00 H new ATOM 334 N THR A 23 0.063 -4.467 7.008 1.00 0.00 N ATOM 335 CA THR A 23 -0.618 -3.645 8.000 1.00 0.00 C ATOM 336 C THR A 23 -0.636 -2.180 7.575 1.00 0.00 C ATOM 337 O THR A 23 0.364 -1.652 7.087 1.00 0.00 O ATOM 338 CB THR A 23 0.063 -3.783 9.363 1.00 0.00 C ATOM 339 OG1 THR A 23 0.284 -5.148 9.676 1.00 0.00 O ATOM 340 CG2 THR A 23 -0.734 -3.174 10.496 1.00 0.00 C ATOM 0 H THR A 23 1.081 -4.422 7.050 1.00 0.00 H new ATOM 0 HA THR A 23 -1.647 -3.995 8.078 1.00 0.00 H new ATOM 0 HB THR A 23 1.004 -3.241 9.272 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.722 -5.216 10.550 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.194 -3.307 11.433 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.879 -2.110 10.308 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.704 -3.666 10.564 1.00 0.00 H new ATOM 348 N VAL A 24 -1.778 -1.529 7.765 1.00 0.00 N ATOM 349 CA VAL A 24 -1.927 -0.125 7.403 1.00 0.00 C ATOM 350 C VAL A 24 -2.610 0.659 8.518 1.00 0.00 C ATOM 351 O VAL A 24 -3.566 0.183 9.129 1.00 0.00 O ATOM 352 CB VAL A 24 -2.741 0.038 6.105 1.00 0.00 C ATOM 353 CG1 VAL A 24 -1.968 -0.513 4.916 1.00 0.00 C ATOM 354 CG2 VAL A 24 -4.095 -0.642 6.233 1.00 0.00 C ATOM 0 H VAL A 24 -2.614 -1.952 8.168 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.923 0.269 7.245 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.911 1.101 5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.559 -0.389 4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.027 0.027 4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.764 -1.572 5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.655 -0.516 5.306 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.951 -1.705 6.428 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.651 -0.194 7.057 1.00 0.00 H new ATOM 364 N SER A 25 -2.111 1.863 8.780 1.00 0.00 N ATOM 365 CA SER A 25 -2.674 2.711 9.824 1.00 0.00 C ATOM 366 C SER A 25 -2.523 4.187 9.470 1.00 0.00 C ATOM 367 O SER A 25 -1.448 4.632 9.067 1.00 0.00 O ATOM 368 CB SER A 25 -1.994 2.425 11.164 1.00 0.00 C ATOM 369 OG SER A 25 -2.411 3.348 12.156 1.00 0.00 O ATOM 0 H SER A 25 -1.319 2.273 8.284 1.00 0.00 H new ATOM 0 HA SER A 25 -3.737 2.483 9.906 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.229 1.410 11.485 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.912 2.479 11.045 1.00 0.00 H new ATOM 0 HG SER A 25 -1.963 3.142 13.003 1.00 0.00 H new ATOM 375 N GLY A 26 -3.608 4.940 9.620 1.00 0.00 N ATOM 376 CA GLY A 26 -3.575 6.358 9.311 1.00 0.00 C ATOM 377 C GLY A 26 -4.909 7.033 9.552 1.00 0.00 C ATOM 378 O GLY A 26 -5.906 6.698 8.912 1.00 0.00 O ATOM 0 H GLY A 26 -4.509 4.594 9.950 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.811 6.842 9.919 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.286 6.493 8.269 1.00 0.00 H new ATOM 382 N ASP A 27 -4.931 7.987 10.477 1.00 0.00 N ATOM 383 CA ASP A 27 -6.154 8.713 10.801 1.00 0.00 C ATOM 384 C ASP A 27 -6.705 9.428 9.570 1.00 0.00 C ATOM 385 O ASP A 27 -7.667 8.970 8.952 1.00 0.00 O ATOM 386 CB ASP A 27 -5.893 9.722 11.920 1.00 0.00 C ATOM 387 CG ASP A 27 -5.596 9.050 13.247 1.00 0.00 C ATOM 388 OD1 ASP A 27 -6.308 8.087 13.596 1.00 0.00 O ATOM 389 OD2 ASP A 27 -4.650 9.489 13.935 1.00 0.00 O ATOM 0 H ASP A 27 -4.115 8.276 11.016 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.896 7.991 11.141 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.053 10.359 11.642 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.762 10.371 12.031 1.00 0.00 H new ATOM 394 N ASN A 28 -6.088 10.551 9.217 1.00 0.00 N ATOM 395 CA ASN A 28 -6.518 11.327 8.060 1.00 0.00 C ATOM 396 C ASN A 28 -5.999 10.705 6.765 1.00 0.00 C ATOM 397 O ASN A 28 -6.784 10.306 5.903 1.00 0.00 O ATOM 398 CB ASN A 28 -6.033 12.774 8.181 1.00 0.00 C ATOM 399 CG ASN A 28 -7.125 13.713 8.656 1.00 0.00 C ATOM 400 OD1 ASN A 28 -7.975 14.141 7.876 1.00 0.00 O ATOM 401 ND2 ASN A 28 -7.105 14.037 9.944 1.00 0.00 N ATOM 0 H ASN A 28 -5.289 10.944 9.715 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.608 11.320 8.032 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.194 12.816 8.876 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.663 13.112 7.213 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.814 14.665 10.323 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.381 13.658 10.554 1.00 0.00 H new ATOM 408 N PRO A 29 -4.667 10.614 6.609 1.00 0.00 N ATOM 409 CA PRO A 29 -4.051 10.038 5.410 1.00 0.00 C ATOM 410 C PRO A 29 -4.124 8.514 5.396 1.00 0.00 C ATOM 411 O PRO A 29 -4.832 7.909 6.201 1.00 0.00 O ATOM 412 CB PRO A 29 -2.601 10.502 5.510 1.00 0.00 C ATOM 413 CG PRO A 29 -2.349 10.634 6.971 1.00 0.00 C ATOM 414 CD PRO A 29 -3.655 11.066 7.585 1.00 0.00 C ATOM 0 HA PRO A 29 -4.555 10.353 4.496 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.922 9.782 5.054 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.452 11.451 4.995 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.013 9.688 7.395 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.566 11.366 7.166 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.809 10.608 8.562 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.692 12.146 7.729 1.00 0.00 H new ATOM 422 N VAL A 30 -3.387 7.901 4.477 1.00 0.00 N ATOM 423 CA VAL A 30 -3.364 6.449 4.357 1.00 0.00 C ATOM 424 C VAL A 30 -1.984 5.959 3.934 1.00 0.00 C ATOM 425 O VAL A 30 -1.552 6.189 2.803 1.00 0.00 O ATOM 426 CB VAL A 30 -4.409 5.949 3.339 1.00 0.00 C ATOM 427 CG1 VAL A 30 -4.553 4.436 3.418 1.00 0.00 C ATOM 428 CG2 VAL A 30 -5.748 6.634 3.570 1.00 0.00 C ATOM 0 H VAL A 30 -2.797 8.388 3.803 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.608 6.046 5.340 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.064 6.204 2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.295 4.103 2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.594 3.967 3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.874 4.153 4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.473 6.269 2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.101 6.413 4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.630 7.712 3.456 1.00 0.00 H new ATOM 438 N PHE A 31 -1.292 5.285 4.847 1.00 0.00 N ATOM 439 CA PHE A 31 0.041 4.767 4.567 1.00 0.00 C ATOM 440 C PHE A 31 0.216 3.362 5.133 1.00 0.00 C ATOM 441 O PHE A 31 -0.448 2.984 6.099 1.00 0.00 O ATOM 442 CB PHE A 31 1.103 5.698 5.152 1.00 0.00 C ATOM 443 CG PHE A 31 0.916 5.975 6.617 1.00 0.00 C ATOM 444 CD1 PHE A 31 0.109 7.019 7.041 1.00 0.00 C ATOM 445 CD2 PHE A 31 1.547 5.192 7.570 1.00 0.00 C ATOM 446 CE1 PHE A 31 -0.065 7.276 8.387 1.00 0.00 C ATOM 447 CE2 PHE A 31 1.377 5.444 8.919 1.00 0.00 C ATOM 448 CZ PHE A 31 0.570 6.488 9.327 1.00 0.00 C ATOM 0 H PHE A 31 -1.633 5.085 5.787 1.00 0.00 H new ATOM 0 HA PHE A 31 0.161 4.718 3.485 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.087 5.256 4.997 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.087 6.642 4.607 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.390 7.639 6.310 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.179 4.375 7.255 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.697 8.092 8.704 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.874 4.826 9.652 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.436 6.688 10.380 1.00 0.00 H new ATOM 458 N VAL A 32 1.116 2.592 4.527 1.00 0.00 N ATOM 459 CA VAL A 32 1.382 1.230 4.973 1.00 0.00 C ATOM 460 C VAL A 32 2.584 1.188 5.909 1.00 0.00 C ATOM 461 O VAL A 32 3.584 1.869 5.681 1.00 0.00 O ATOM 462 CB VAL A 32 1.640 0.288 3.781 1.00 0.00 C ATOM 463 CG1 VAL A 32 1.662 -1.161 4.242 1.00 0.00 C ATOM 464 CG2 VAL A 32 0.595 0.494 2.696 1.00 0.00 C ATOM 0 H VAL A 32 1.673 2.889 3.726 1.00 0.00 H new ATOM 0 HA VAL A 32 0.494 0.891 5.507 1.00 0.00 H new ATOM 0 HB VAL A 32 2.616 0.527 3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.845 -1.812 3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.454 -1.297 4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.702 -1.414 4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.796 -0.181 1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.396 0.286 3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.634 1.525 2.344 1.00 0.00 H new ATOM 474 N GLN A 33 2.480 0.388 6.964 1.00 0.00 N ATOM 475 CA GLN A 33 3.559 0.262 7.938 1.00 0.00 C ATOM 476 C GLN A 33 4.238 -1.100 7.833 1.00 0.00 C ATOM 477 O GLN A 33 5.448 -1.217 8.026 1.00 0.00 O ATOM 478 CB GLN A 33 3.021 0.468 9.355 1.00 0.00 C ATOM 479 CG GLN A 33 1.722 -0.273 9.627 1.00 0.00 C ATOM 480 CD GLN A 33 1.546 -0.622 11.092 1.00 0.00 C ATOM 481 OE1 GLN A 33 0.684 -0.069 11.775 1.00 0.00 O ATOM 482 NE2 GLN A 33 2.366 -1.545 11.582 1.00 0.00 N ATOM 0 H GLN A 33 1.660 -0.183 7.167 1.00 0.00 H new ATOM 0 HA GLN A 33 4.299 1.032 7.720 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.774 0.139 10.072 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.864 1.533 9.524 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.883 0.341 9.300 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.698 -1.187 9.034 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.066 -1.977 10.979 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.296 -1.822 12.561 1.00 0.00 H new ATOM 491 N SER A 34 3.452 -2.128 7.529 1.00 0.00 N ATOM 492 CA SER A 34 3.982 -3.482 7.403 1.00 0.00 C ATOM 493 C SER A 34 3.455 -4.162 6.144 1.00 0.00 C ATOM 494 O SER A 34 2.378 -3.828 5.649 1.00 0.00 O ATOM 495 CB SER A 34 3.616 -4.312 8.634 1.00 0.00 C ATOM 496 OG SER A 34 4.278 -5.565 8.620 1.00 0.00 O ATOM 0 H SER A 34 2.448 -2.050 7.366 1.00 0.00 H new ATOM 0 HA SER A 34 5.067 -3.412 7.328 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.885 -3.765 9.538 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.538 -4.467 8.664 1.00 0.00 H new ATOM 0 HG SER A 34 4.029 -6.076 9.418 1.00 0.00 H new ATOM 502 N VAL A 35 4.222 -5.118 5.629 1.00 0.00 N ATOM 503 CA VAL A 35 3.834 -5.848 4.427 1.00 0.00 C ATOM 504 C VAL A 35 4.096 -7.341 4.585 1.00 0.00 C ATOM 505 O VAL A 35 5.118 -7.748 5.140 1.00 0.00 O ATOM 506 CB VAL A 35 4.591 -5.333 3.190 1.00 0.00 C ATOM 507 CG1 VAL A 35 4.097 -3.949 2.798 1.00 0.00 C ATOM 508 CG2 VAL A 35 6.091 -5.319 3.448 1.00 0.00 C ATOM 0 H VAL A 35 5.117 -5.405 6.026 1.00 0.00 H new ATOM 0 HA VAL A 35 2.766 -5.682 4.285 1.00 0.00 H new ATOM 0 HB VAL A 35 4.395 -6.011 2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.644 -3.602 1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.033 -3.995 2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.259 -3.257 3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.609 -4.952 2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.309 -4.665 4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.431 -6.330 3.674 1.00 0.00 H new ATOM 518 N LYS A 36 3.169 -8.156 4.090 1.00 0.00 N ATOM 519 CA LYS A 36 3.298 -9.607 4.175 1.00 0.00 C ATOM 520 C LYS A 36 4.604 -10.081 3.542 1.00 0.00 C ATOM 521 O LYS A 36 4.826 -9.901 2.344 1.00 0.00 O ATOM 522 CB LYS A 36 2.111 -10.288 3.491 1.00 0.00 C ATOM 523 CG LYS A 36 1.642 -11.549 4.198 1.00 0.00 C ATOM 524 CD LYS A 36 2.512 -12.745 3.845 1.00 0.00 C ATOM 525 CE LYS A 36 2.859 -13.565 5.078 1.00 0.00 C ATOM 526 NZ LYS A 36 2.919 -15.023 4.777 1.00 0.00 N ATOM 0 H LYS A 36 2.319 -7.836 3.625 1.00 0.00 H new ATOM 0 HA LYS A 36 3.308 -9.881 5.230 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.281 -9.583 3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.387 -10.537 2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.660 -11.391 5.276 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.608 -11.757 3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.992 -13.374 3.123 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.429 -12.401 3.366 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.820 -13.236 5.474 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.116 -13.385 5.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.158 -15.547 5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.995 -15.343 4.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.646 -15.199 4.054 1.00 0.00 H new ATOM 540 N GLU A 37 5.464 -10.686 4.356 1.00 0.00 N ATOM 541 CA GLU A 37 6.747 -11.188 3.878 1.00 0.00 C ATOM 542 C GLU A 37 6.556 -12.407 2.982 1.00 0.00 C ATOM 543 O GLU A 37 5.909 -13.380 3.370 1.00 0.00 O ATOM 544 CB GLU A 37 7.652 -11.544 5.060 1.00 0.00 C ATOM 545 CG GLU A 37 9.118 -11.212 4.824 1.00 0.00 C ATOM 546 CD GLU A 37 9.633 -10.142 5.766 1.00 0.00 C ATOM 547 OE1 GLU A 37 9.737 -10.419 6.980 1.00 0.00 O ATOM 548 OE2 GLU A 37 9.933 -9.027 5.291 1.00 0.00 O ATOM 0 H GLU A 37 5.295 -10.840 5.350 1.00 0.00 H new ATOM 0 HA GLU A 37 7.221 -10.401 3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.305 -11.012 5.946 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.558 -12.609 5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.715 -12.116 4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.250 -10.879 3.795 1.00 0.00 H new ATOM 555 N ASP A 38 7.123 -12.347 1.781 1.00 0.00 N ATOM 556 CA ASP A 38 7.018 -13.445 0.827 1.00 0.00 C ATOM 557 C ASP A 38 5.557 -13.802 0.565 1.00 0.00 C ATOM 558 O ASP A 38 5.229 -14.955 0.282 1.00 0.00 O ATOM 559 CB ASP A 38 7.771 -14.673 1.343 1.00 0.00 C ATOM 560 CG ASP A 38 8.536 -15.386 0.246 1.00 0.00 C ATOM 561 OD1 ASP A 38 8.158 -15.237 -0.935 1.00 0.00 O ATOM 562 OD2 ASP A 38 9.515 -16.092 0.567 1.00 0.00 O ATOM 0 H ASP A 38 7.661 -11.548 1.445 1.00 0.00 H new ATOM 0 HA ASP A 38 7.468 -13.120 -0.111 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.465 -14.368 2.126 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.062 -15.366 1.797 1.00 0.00 H new ATOM 567 N GLY A 39 4.683 -12.806 0.663 1.00 0.00 N ATOM 568 CA GLY A 39 3.268 -13.033 0.435 1.00 0.00 C ATOM 569 C GLY A 39 2.694 -12.108 -0.619 1.00 0.00 C ATOM 570 O GLY A 39 3.393 -11.701 -1.546 1.00 0.00 O ATOM 0 H GLY A 39 4.930 -11.844 0.897 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.114 -14.068 0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.726 -12.894 1.370 1.00 0.00 H new ATOM 574 N ALA A 40 1.416 -11.773 -0.475 1.00 0.00 N ATOM 575 CA ALA A 40 0.745 -10.892 -1.421 1.00 0.00 C ATOM 576 C ALA A 40 1.410 -9.520 -1.463 1.00 0.00 C ATOM 577 O ALA A 40 1.516 -8.904 -2.524 1.00 0.00 O ATOM 578 CB ALA A 40 -0.726 -10.756 -1.062 1.00 0.00 C ATOM 0 H ALA A 40 0.824 -12.099 0.289 1.00 0.00 H new ATOM 0 HA ALA A 40 0.827 -11.336 -2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.215 -10.095 -1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.200 -11.737 -1.092 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.819 -10.338 -0.059 1.00 0.00 H new ATOM 584 N ALA A 41 1.851 -9.043 -0.304 1.00 0.00 N ATOM 585 CA ALA A 41 2.501 -7.743 -0.212 1.00 0.00 C ATOM 586 C ALA A 41 3.888 -7.771 -0.844 1.00 0.00 C ATOM 587 O ALA A 41 4.240 -6.889 -1.627 1.00 0.00 O ATOM 588 CB ALA A 41 2.589 -7.299 1.241 1.00 0.00 C ATOM 0 H ALA A 41 1.770 -9.538 0.584 1.00 0.00 H new ATOM 0 HA ALA A 41 1.896 -7.025 -0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.077 -6.326 1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.586 -7.226 1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.168 -8.027 1.810 1.00 0.00 H new ATOM 594 N MET A 42 4.673 -8.787 -0.500 1.00 0.00 N ATOM 595 CA MET A 42 6.022 -8.924 -1.037 1.00 0.00 C ATOM 596 C MET A 42 5.991 -9.089 -2.553 1.00 0.00 C ATOM 597 O MET A 42 6.775 -8.467 -3.270 1.00 0.00 O ATOM 598 CB MET A 42 6.728 -10.120 -0.397 1.00 0.00 C ATOM 599 CG MET A 42 8.227 -9.928 -0.246 1.00 0.00 C ATOM 600 SD MET A 42 8.668 -9.086 1.286 1.00 0.00 S ATOM 601 CE MET A 42 9.891 -7.919 0.691 1.00 0.00 C ATOM 0 H MET A 42 4.399 -9.526 0.147 1.00 0.00 H new ATOM 0 HA MET A 42 6.574 -8.015 -0.800 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.293 -10.306 0.585 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.542 -11.008 -1.002 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.719 -10.900 -0.276 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.603 -9.354 -1.093 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.260 -7.322 1.525 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.721 -8.461 0.237 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.437 -7.263 -0.052 1.00 0.00 H new ATOM 611 N ARG A 43 5.085 -9.932 -3.034 1.00 0.00 N ATOM 612 CA ARG A 43 4.954 -10.179 -4.465 1.00 0.00 C ATOM 613 C ARG A 43 4.491 -8.921 -5.195 1.00 0.00 C ATOM 614 O ARG A 43 4.843 -8.699 -6.353 1.00 0.00 O ATOM 615 CB ARG A 43 3.969 -11.323 -4.716 1.00 0.00 C ATOM 616 CG ARG A 43 4.535 -12.432 -5.588 1.00 0.00 C ATOM 617 CD ARG A 43 4.216 -12.204 -7.058 1.00 0.00 C ATOM 618 NE ARG A 43 4.786 -13.243 -7.909 1.00 0.00 N ATOM 619 CZ ARG A 43 4.411 -13.460 -9.169 1.00 0.00 C ATOM 620 NH1 ARG A 43 3.467 -12.710 -9.724 1.00 0.00 N ATOM 621 NH2 ARG A 43 4.982 -14.426 -9.874 1.00 0.00 N ATOM 0 H ARG A 43 4.430 -10.456 -2.454 1.00 0.00 H new ATOM 0 HA ARG A 43 5.933 -10.460 -4.852 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.663 -11.745 -3.759 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.072 -10.922 -5.189 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.615 -12.486 -5.453 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.125 -13.391 -5.270 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.135 -12.177 -7.194 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.601 -11.232 -7.366 1.00 0.00 H new ATOM 0 HE ARG A 43 5.515 -13.839 -7.516 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.026 -11.964 -9.186 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.183 -12.879 -10.689 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.709 -15.004 -9.452 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.694 -14.592 -10.839 1.00 0.00 H new ATOM 635 N ALA A 44 3.702 -8.102 -4.508 1.00 0.00 N ATOM 636 CA ALA A 44 3.192 -6.867 -5.089 1.00 0.00 C ATOM 637 C ALA A 44 4.274 -5.789 -5.151 1.00 0.00 C ATOM 638 O ALA A 44 4.128 -4.794 -5.859 1.00 0.00 O ATOM 639 CB ALA A 44 1.994 -6.366 -4.296 1.00 0.00 C ATOM 0 H ALA A 44 3.402 -8.272 -3.548 1.00 0.00 H new ATOM 0 HA ALA A 44 2.878 -7.084 -6.110 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.623 -5.443 -4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.206 -7.119 -4.313 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.293 -6.177 -3.265 1.00 0.00 H new ATOM 645 N GLY A 45 5.357 -5.994 -4.405 1.00 0.00 N ATOM 646 CA GLY A 45 6.441 -5.028 -4.396 1.00 0.00 C ATOM 647 C GLY A 45 6.137 -3.823 -3.527 1.00 0.00 C ATOM 648 O GLY A 45 6.569 -2.709 -3.827 1.00 0.00 O ATOM 0 H GLY A 45 5.502 -6.809 -3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.350 -5.510 -4.038 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.637 -4.697 -5.416 1.00 0.00 H new ATOM 652 N VAL A 46 5.394 -4.046 -2.448 1.00 0.00 N ATOM 653 CA VAL A 46 5.034 -2.968 -1.533 1.00 0.00 C ATOM 654 C VAL A 46 6.245 -2.502 -0.733 1.00 0.00 C ATOM 655 O VAL A 46 7.229 -3.229 -0.596 1.00 0.00 O ATOM 656 CB VAL A 46 3.926 -3.407 -0.558 1.00 0.00 C ATOM 657 CG1 VAL A 46 3.429 -2.221 0.256 1.00 0.00 C ATOM 658 CG2 VAL A 46 2.780 -4.064 -1.313 1.00 0.00 C ATOM 0 H VAL A 46 5.030 -4.962 -2.186 1.00 0.00 H new ATOM 0 HA VAL A 46 4.665 -2.143 -2.143 1.00 0.00 H new ATOM 0 HB VAL A 46 4.344 -4.141 0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.646 -2.551 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.256 -1.800 0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.028 -1.461 -0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.006 -4.368 -0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.362 -3.355 -2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.150 -4.940 -1.845 1.00 0.00 H new ATOM 668 N GLN A 47 6.166 -1.284 -0.205 1.00 0.00 N ATOM 669 CA GLN A 47 7.256 -0.720 0.582 1.00 0.00 C ATOM 670 C GLN A 47 6.769 -0.321 1.972 1.00 0.00 C ATOM 671 O GLN A 47 5.881 0.518 2.112 1.00 0.00 O ATOM 672 CB GLN A 47 7.855 0.493 -0.132 1.00 0.00 C ATOM 673 CG GLN A 47 9.188 0.206 -0.804 1.00 0.00 C ATOM 674 CD GLN A 47 9.866 1.463 -1.313 1.00 0.00 C ATOM 675 OE1 GLN A 47 10.914 1.865 -0.808 1.00 0.00 O ATOM 676 NE2 GLN A 47 9.269 2.091 -2.319 1.00 0.00 N ATOM 0 H GLN A 47 5.358 -0.669 -0.308 1.00 0.00 H new ATOM 0 HA GLN A 47 8.027 -1.483 0.691 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.148 0.848 -0.882 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.987 1.300 0.589 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.847 -0.297 -0.096 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.031 -0.480 -1.636 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.401 1.722 -2.707 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.678 2.942 -2.704 1.00 0.00 H new ATOM 685 N THR A 48 7.359 -0.929 2.997 1.00 0.00 N ATOM 686 CA THR A 48 6.985 -0.634 4.377 1.00 0.00 C ATOM 687 C THR A 48 7.139 0.853 4.678 1.00 0.00 C ATOM 688 O THR A 48 8.172 1.453 4.380 1.00 0.00 O ATOM 689 CB THR A 48 7.835 -1.454 5.349 1.00 0.00 C ATOM 690 OG1 THR A 48 7.741 -0.931 6.663 1.00 0.00 O ATOM 691 CG2 THR A 48 9.301 -1.498 4.977 1.00 0.00 C ATOM 0 H THR A 48 8.096 -1.627 2.899 1.00 0.00 H new ATOM 0 HA THR A 48 5.937 -0.906 4.506 1.00 0.00 H new ATOM 0 HB THR A 48 7.434 -2.466 5.296 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.938 -1.286 7.100 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.844 -2.096 5.709 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.412 -1.944 3.989 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.704 -0.485 4.965 1.00 0.00 H new ATOM 699 N GLY A 49 6.105 1.439 5.268 1.00 0.00 N ATOM 700 CA GLY A 49 6.143 2.852 5.598 1.00 0.00 C ATOM 701 C GLY A 49 5.937 3.737 4.385 1.00 0.00 C ATOM 702 O GLY A 49 6.469 4.846 4.320 1.00 0.00 O ATOM 0 H GLY A 49 5.241 0.962 5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.373 3.070 6.338 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.103 3.089 6.058 1.00 0.00 H new ATOM 706 N ASP A 50 5.165 3.247 3.420 1.00 0.00 N ATOM 707 CA ASP A 50 4.891 4.002 2.203 1.00 0.00 C ATOM 708 C ASP A 50 3.587 4.784 2.327 1.00 0.00 C ATOM 709 O ASP A 50 2.683 4.387 3.063 1.00 0.00 O ATOM 710 CB ASP A 50 4.825 3.062 0.997 1.00 0.00 C ATOM 711 CG ASP A 50 3.776 1.978 1.159 1.00 0.00 C ATOM 712 OD1 ASP A 50 2.793 2.207 1.896 1.00 0.00 O ATOM 713 OD2 ASP A 50 3.940 0.899 0.552 1.00 0.00 O ATOM 0 H ASP A 50 4.718 2.331 3.457 1.00 0.00 H new ATOM 0 HA ASP A 50 5.705 4.712 2.056 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.607 3.642 0.100 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.801 2.599 0.848 1.00 0.00 H new ATOM 718 N ARG A 51 3.496 5.894 1.604 1.00 0.00 N ATOM 719 CA ARG A 51 2.301 6.729 1.633 1.00 0.00 C ATOM 720 C ARG A 51 1.384 6.407 0.458 1.00 0.00 C ATOM 721 O ARG A 51 1.836 6.289 -0.680 1.00 0.00 O ATOM 722 CB ARG A 51 2.687 8.209 1.606 1.00 0.00 C ATOM 723 CG ARG A 51 3.588 8.626 2.756 1.00 0.00 C ATOM 724 CD ARG A 51 4.530 9.747 2.350 1.00 0.00 C ATOM 725 NE ARG A 51 3.918 11.063 2.516 1.00 0.00 N ATOM 726 CZ ARG A 51 3.595 11.586 3.697 1.00 0.00 C ATOM 727 NH1 ARG A 51 3.820 10.908 4.816 1.00 0.00 N ATOM 728 NH2 ARG A 51 3.045 12.791 3.761 1.00 0.00 N ATOM 0 H ARG A 51 4.235 6.237 0.991 1.00 0.00 H new ATOM 0 HA ARG A 51 1.763 6.519 2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.190 8.427 0.664 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.780 8.813 1.630 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.977 8.950 3.598 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.168 7.767 3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.439 9.692 2.949 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.826 9.613 1.309 1.00 0.00 H new ATOM 0 HE ARG A 51 3.727 11.613 1.679 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.243 9.981 4.774 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.570 11.314 5.718 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.869 13.317 2.905 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.798 13.191 4.666 1.00 0.00 H new ATOM 742 N ILE A 52 0.092 6.268 0.742 1.00 0.00 N ATOM 743 CA ILE A 52 -0.887 5.960 -0.293 1.00 0.00 C ATOM 744 C ILE A 52 -1.654 7.212 -0.712 1.00 0.00 C ATOM 745 O ILE A 52 -2.260 7.888 0.120 1.00 0.00 O ATOM 746 CB ILE A 52 -1.890 4.890 0.181 1.00 0.00 C ATOM 747 CG1 ILE A 52 -1.147 3.674 0.736 1.00 0.00 C ATOM 748 CG2 ILE A 52 -2.810 4.480 -0.961 1.00 0.00 C ATOM 749 CD1 ILE A 52 -1.828 3.044 1.932 1.00 0.00 C ATOM 0 H ILE A 52 -0.300 6.364 1.679 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.333 5.572 -1.148 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.501 5.315 0.978 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.050 2.927 -0.052 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.138 3.973 1.018 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.512 3.724 -0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.362 5.351 -1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.216 4.071 -1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.246 2.188 2.273 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.901 3.776 2.736 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.828 2.714 1.649 1.00 0.00 H new ATOM 761 N ILE A 53 -1.620 7.515 -2.006 1.00 0.00 N ATOM 762 CA ILE A 53 -2.309 8.684 -2.535 1.00 0.00 C ATOM 763 C ILE A 53 -3.663 8.306 -3.126 1.00 0.00 C ATOM 764 O ILE A 53 -4.642 9.038 -2.981 1.00 0.00 O ATOM 765 CB ILE A 53 -1.470 9.390 -3.617 1.00 0.00 C ATOM 766 CG1 ILE A 53 -0.034 9.597 -3.128 1.00 0.00 C ATOM 767 CG2 ILE A 53 -2.105 10.721 -3.995 1.00 0.00 C ATOM 768 CD1 ILE A 53 1.011 9.039 -4.072 1.00 0.00 C ATOM 0 H ILE A 53 -1.122 6.966 -2.707 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.459 9.366 -1.698 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.443 8.758 -4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.144 10.663 -2.990 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.081 9.126 -2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.501 11.208 -4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.110 10.548 -4.381 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.160 11.361 -3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.005 9.221 -3.663 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.858 7.966 -4.191 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.923 9.528 -5.042 1.00 0.00 H new ATOM 780 N LYS A 54 -3.713 7.158 -3.794 1.00 0.00 N ATOM 781 CA LYS A 54 -4.946 6.684 -4.408 1.00 0.00 C ATOM 782 C LYS A 54 -5.241 5.244 -4.002 1.00 0.00 C ATOM 783 O LYS A 54 -4.325 4.459 -3.758 1.00 0.00 O ATOM 784 CB LYS A 54 -4.857 6.786 -5.934 1.00 0.00 C ATOM 785 CG LYS A 54 -4.224 8.079 -6.422 1.00 0.00 C ATOM 786 CD LYS A 54 -4.561 8.347 -7.881 1.00 0.00 C ATOM 787 CE LYS A 54 -3.583 7.653 -8.816 1.00 0.00 C ATOM 788 NZ LYS A 54 -3.626 8.227 -10.189 1.00 0.00 N ATOM 0 H LYS A 54 -2.913 6.539 -3.923 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.760 7.317 -4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.279 5.943 -6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.859 6.701 -6.354 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.572 8.910 -5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.142 8.024 -6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.573 8.002 -8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.545 9.421 -8.068 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.573 7.743 -8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.815 6.589 -8.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.945 7.727 -10.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.583 8.119 -10.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.379 9.237 -10.151 1.00 0.00 H new ATOM 802 N VAL A 55 -6.524 4.903 -3.933 1.00 0.00 N ATOM 803 CA VAL A 55 -6.939 3.557 -3.558 1.00 0.00 C ATOM 804 C VAL A 55 -7.733 2.897 -4.679 1.00 0.00 C ATOM 805 O VAL A 55 -8.848 3.315 -4.993 1.00 0.00 O ATOM 806 CB VAL A 55 -7.793 3.566 -2.276 1.00 0.00 C ATOM 807 CG1 VAL A 55 -6.968 4.036 -1.087 1.00 0.00 C ATOM 808 CG2 VAL A 55 -9.028 4.438 -2.460 1.00 0.00 C ATOM 0 H VAL A 55 -7.294 5.541 -4.132 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.029 2.986 -3.373 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.125 2.547 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.588 4.036 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.122 3.364 -0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.602 5.045 -1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.618 4.431 -1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.722 5.459 -2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.629 4.049 -3.281 1.00 0.00 H new ATOM 818 N ASN A 56 -7.152 1.865 -5.281 1.00 0.00 N ATOM 819 CA ASN A 56 -7.806 1.147 -6.368 1.00 0.00 C ATOM 820 C ASN A 56 -8.064 2.073 -7.553 1.00 0.00 C ATOM 821 O ASN A 56 -9.105 1.988 -8.205 1.00 0.00 O ATOM 822 CB ASN A 56 -9.122 0.532 -5.883 1.00 0.00 C ATOM 823 CG ASN A 56 -9.222 -0.946 -6.206 1.00 0.00 C ATOM 824 OD1 ASN A 56 -8.385 -1.497 -6.920 1.00 0.00 O ATOM 825 ND2 ASN A 56 -10.253 -1.598 -5.679 1.00 0.00 N ATOM 0 H ASN A 56 -6.229 1.507 -5.034 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.142 0.347 -6.695 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.211 0.673 -4.806 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -9.958 1.059 -6.343 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.373 -2.594 -5.861 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -10.924 -1.102 -5.092 1.00 0.00 H new ATOM 832 N GLY A 57 -7.110 2.959 -7.822 1.00 0.00 N ATOM 833 CA GLY A 57 -7.253 3.889 -8.927 1.00 0.00 C ATOM 834 C GLY A 57 -8.351 4.907 -8.691 1.00 0.00 C ATOM 835 O GLY A 57 -8.942 5.423 -9.640 1.00 0.00 O ATOM 0 H GLY A 57 -6.241 3.049 -7.295 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.308 4.409 -9.085 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.467 3.333 -9.840 1.00 0.00 H new ATOM 839 N THR A 58 -8.628 5.196 -7.424 1.00 0.00 N ATOM 840 CA THR A 58 -9.664 6.157 -7.068 1.00 0.00 C ATOM 841 C THR A 58 -9.162 7.133 -6.008 1.00 0.00 C ATOM 842 O THR A 58 -8.869 6.741 -4.878 1.00 0.00 O ATOM 843 CB THR A 58 -10.911 5.432 -6.559 1.00 0.00 C ATOM 844 OG1 THR A 58 -11.278 4.387 -7.442 1.00 0.00 O ATOM 845 CG2 THR A 58 -12.110 6.341 -6.400 1.00 0.00 C ATOM 0 H THR A 58 -8.149 4.778 -6.626 1.00 0.00 H new ATOM 0 HA THR A 58 -9.921 6.722 -7.964 1.00 0.00 H new ATOM 0 HB THR A 58 -10.639 5.043 -5.578 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.076 3.934 -7.099 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.959 5.763 -6.036 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.876 7.131 -5.686 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.360 6.785 -7.363 1.00 0.00 H new ATOM 945 N HIS A 65 -10.024 4.179 9.397 1.00 0.00 N ATOM 946 CA HIS A 65 -9.349 2.952 8.990 1.00 0.00 C ATOM 947 C HIS A 65 -10.357 1.909 8.521 1.00 0.00 C ATOM 948 O HIS A 65 -10.113 1.187 7.551 1.00 0.00 O ATOM 949 CB HIS A 65 -8.521 2.394 10.148 1.00 0.00 C ATOM 950 CG HIS A 65 -7.628 1.259 9.753 1.00 0.00 C ATOM 951 ND1 HIS A 65 -7.711 0.004 10.318 1.00 0.00 N ATOM 952 CD2 HIS A 65 -6.630 1.194 8.840 1.00 0.00 C ATOM 953 CE1 HIS A 65 -6.801 -0.784 9.773 1.00 0.00 C ATOM 954 NE2 HIS A 65 -6.132 -0.087 8.873 1.00 0.00 N ATOM 0 HA HIS A 65 -8.685 3.189 8.159 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.913 3.195 10.568 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.194 2.058 10.937 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -8.372 -0.273 11.044 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.289 1.998 8.205 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.633 -1.822 10.021 1.00 0.00 H new ATOM 963 N LEU A 66 -11.490 1.834 9.212 1.00 0.00 N ATOM 964 CA LEU A 66 -12.536 0.878 8.866 1.00 0.00 C ATOM 965 C LEU A 66 -12.977 1.054 7.417 1.00 0.00 C ATOM 966 O LEU A 66 -13.154 0.078 6.688 1.00 0.00 O ATOM 967 CB LEU A 66 -13.736 1.039 9.800 1.00 0.00 C ATOM 968 CG LEU A 66 -13.462 0.708 11.268 1.00 0.00 C ATOM 969 CD1 LEU A 66 -14.251 1.632 12.181 1.00 0.00 C ATOM 970 CD2 LEU A 66 -13.800 -0.747 11.558 1.00 0.00 C ATOM 0 H LEU A 66 -11.707 2.424 10.015 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.127 -0.126 8.983 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.092 2.067 9.735 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.543 0.399 9.443 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.400 0.860 11.462 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -14.043 1.381 13.221 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.960 2.665 11.992 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -15.317 1.513 11.986 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.599 -0.965 12.607 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -14.854 -0.925 11.346 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.189 -1.395 10.929 1.00 0.00 H new ATOM 982 N GLU A 67 -13.144 2.306 7.002 1.00 0.00 N ATOM 983 CA GLU A 67 -13.555 2.601 5.635 1.00 0.00 C ATOM 984 C GLU A 67 -12.492 2.127 4.653 1.00 0.00 C ATOM 985 O GLU A 67 -12.802 1.508 3.634 1.00 0.00 O ATOM 986 CB GLU A 67 -13.799 4.101 5.462 1.00 0.00 C ATOM 987 CG GLU A 67 -15.224 4.526 5.776 1.00 0.00 C ATOM 988 CD GLU A 67 -16.223 4.014 4.758 1.00 0.00 C ATOM 989 OE1 GLU A 67 -16.493 2.794 4.752 1.00 0.00 O ATOM 990 OE2 GLU A 67 -16.737 4.831 3.966 1.00 0.00 O ATOM 0 H GLU A 67 -13.002 3.128 7.589 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.486 2.071 5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.114 4.649 6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.562 4.383 4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.499 4.160 6.765 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.275 5.614 5.814 1.00 0.00 H new ATOM 997 N VAL A 68 -11.232 2.407 4.978 1.00 0.00 N ATOM 998 CA VAL A 68 -10.121 1.995 4.133 1.00 0.00 C ATOM 999 C VAL A 68 -10.062 0.477 4.049 1.00 0.00 C ATOM 1000 O VAL A 68 -9.937 -0.093 2.963 1.00 0.00 O ATOM 1001 CB VAL A 68 -8.776 2.526 4.667 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -7.651 2.220 3.689 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -8.862 4.021 4.944 1.00 0.00 C ATOM 0 H VAL A 68 -10.958 2.916 5.818 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.289 2.416 3.142 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.555 2.019 5.606 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.710 2.603 4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.574 1.142 3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.862 2.696 2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.903 4.377 5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.109 4.548 4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.636 4.209 5.688 1.00 0.00 H new ATOM 1013 N VAL A 69 -10.173 -0.175 5.203 1.00 0.00 N ATOM 1014 CA VAL A 69 -10.151 -1.629 5.257 1.00 0.00 C ATOM 1015 C VAL A 69 -11.322 -2.202 4.470 1.00 0.00 C ATOM 1016 O VAL A 69 -11.162 -3.136 3.686 1.00 0.00 O ATOM 1017 CB VAL A 69 -10.215 -2.144 6.708 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -10.047 -3.655 6.747 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -9.158 -1.460 7.563 1.00 0.00 C ATOM 0 H VAL A 69 -10.279 0.281 6.109 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.210 -1.958 4.815 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.195 -1.901 7.118 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.095 -4.000 7.780 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.844 -4.125 6.170 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.082 -3.925 6.319 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.217 -1.836 8.585 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.169 -1.670 7.156 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.330 -0.384 7.562 1.00 0.00 H new ATOM 1029 N LYS A 70 -12.501 -1.621 4.677 1.00 0.00 N ATOM 1030 CA LYS A 70 -13.701 -2.061 3.980 1.00 0.00 C ATOM 1031 C LYS A 70 -13.541 -1.854 2.478 1.00 0.00 C ATOM 1032 O LYS A 70 -13.975 -2.683 1.677 1.00 0.00 O ATOM 1033 CB LYS A 70 -14.926 -1.298 4.488 1.00 0.00 C ATOM 1034 CG LYS A 70 -15.540 -1.901 5.741 1.00 0.00 C ATOM 1035 CD LYS A 70 -16.656 -1.027 6.290 1.00 0.00 C ATOM 1036 CE LYS A 70 -18.021 -1.512 5.828 1.00 0.00 C ATOM 1037 NZ LYS A 70 -18.668 -2.394 6.837 1.00 0.00 N ATOM 0 H LYS A 70 -12.648 -0.845 5.322 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.847 -3.123 4.178 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.642 -0.266 4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.679 -1.271 3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.931 -2.893 5.515 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -14.769 -2.028 6.501 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -16.618 -1.028 7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.506 0.003 5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.663 -0.654 5.631 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -17.915 -2.053 4.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -19.596 -2.703 6.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -18.068 -3.226 7.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -18.793 -1.870 7.727 1.00 0.00 H new ATOM 1051 N LEU A 71 -12.907 -0.747 2.103 1.00 0.00 N ATOM 1052 CA LEU A 71 -12.681 -0.436 0.698 1.00 0.00 C ATOM 1053 C LEU A 71 -11.663 -1.399 0.095 1.00 0.00 C ATOM 1054 O LEU A 71 -11.840 -1.887 -1.021 1.00 0.00 O ATOM 1055 CB LEU A 71 -12.198 1.008 0.537 1.00 0.00 C ATOM 1056 CG LEU A 71 -12.992 1.848 -0.467 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -13.854 2.873 0.254 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -12.054 2.534 -1.449 1.00 0.00 C ATOM 0 H LEU A 71 -12.541 -0.051 2.753 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.627 -0.548 0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.237 1.499 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.153 0.993 0.229 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.649 1.182 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -14.410 3.460 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -14.553 2.360 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -13.218 3.535 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.636 3.126 -2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.371 3.186 -0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.482 1.782 -1.992 1.00 0.00 H new ATOM 1070 N ILE A 72 -10.599 -1.673 0.844 1.00 0.00 N ATOM 1071 CA ILE A 72 -9.558 -2.584 0.384 1.00 0.00 C ATOM 1072 C ILE A 72 -10.079 -4.016 0.327 1.00 0.00 C ATOM 1073 O ILE A 72 -9.714 -4.784 -0.564 1.00 0.00 O ATOM 1074 CB ILE A 72 -8.313 -2.530 1.294 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -7.775 -1.099 1.373 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -7.233 -3.478 0.788 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -7.102 -0.777 2.690 1.00 0.00 C ATOM 0 H ILE A 72 -10.436 -1.278 1.770 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.271 -2.262 -0.617 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.604 -2.849 2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.063 -0.942 0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.597 -0.401 1.214 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.365 -3.424 1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.618 -4.498 0.780 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.942 -3.192 -0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.746 0.253 2.674 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.817 -0.901 3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.259 -1.450 2.842 1.00 0.00 H new ATOM 1089 N LYS A 73 -10.937 -4.370 1.279 1.00 0.00 N ATOM 1090 CA LYS A 73 -11.508 -5.711 1.332 1.00 0.00 C ATOM 1091 C LYS A 73 -12.459 -5.939 0.160 1.00 0.00 C ATOM 1092 O LYS A 73 -12.597 -7.060 -0.331 1.00 0.00 O ATOM 1093 CB LYS A 73 -12.245 -5.929 2.656 1.00 0.00 C ATOM 1094 CG LYS A 73 -11.647 -7.036 3.509 1.00 0.00 C ATOM 1095 CD LYS A 73 -10.681 -6.482 4.544 1.00 0.00 C ATOM 1096 CE LYS A 73 -9.540 -7.450 4.817 1.00 0.00 C ATOM 1097 NZ LYS A 73 -9.801 -8.288 6.019 1.00 0.00 N ATOM 0 H LYS A 73 -11.252 -3.748 2.023 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.692 -6.430 1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.237 -4.999 3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.288 -6.166 2.447 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.446 -7.582 4.011 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.127 -7.749 2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.277 -5.532 4.194 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.217 -6.279 5.471 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.394 -8.094 3.950 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.615 -6.891 4.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.001 -8.935 6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.915 -7.675 6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.670 -8.841 5.875 1.00 0.00 H new ATOM 1111 N SER A 74 -13.112 -4.870 -0.284 1.00 0.00 N ATOM 1112 CA SER A 74 -14.049 -4.955 -1.399 1.00 0.00 C ATOM 1113 C SER A 74 -13.319 -5.290 -2.696 1.00 0.00 C ATOM 1114 O SER A 74 -13.073 -4.416 -3.526 1.00 0.00 O ATOM 1115 CB SER A 74 -14.812 -3.638 -1.554 1.00 0.00 C ATOM 1116 OG SER A 74 -16.058 -3.688 -0.881 1.00 0.00 O ATOM 0 H SER A 74 -13.010 -3.935 0.111 1.00 0.00 H new ATOM 0 HA SER A 74 -14.759 -5.754 -1.185 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.213 -2.818 -1.157 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.975 -3.431 -2.612 1.00 0.00 H new ATOM 0 HG SER A 74 -16.525 -2.834 -0.994 1.00 0.00 H new ATOM 1122 N GLY A 75 -12.975 -6.564 -2.863 1.00 0.00 N ATOM 1123 CA GLY A 75 -12.277 -6.994 -4.060 1.00 0.00 C ATOM 1124 C GLY A 75 -11.057 -7.838 -3.747 1.00 0.00 C ATOM 1125 O GLY A 75 -10.378 -7.610 -2.744 1.00 0.00 O ATOM 0 H GLY A 75 -13.168 -7.306 -2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.959 -7.566 -4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.972 -6.119 -4.634 1.00 0.00 H new ATOM 1129 N SER A 76 -10.778 -8.813 -4.605 1.00 0.00 N ATOM 1130 CA SER A 76 -9.630 -9.692 -4.413 1.00 0.00 C ATOM 1131 C SER A 76 -8.336 -9.001 -4.832 1.00 0.00 C ATOM 1132 O SER A 76 -7.331 -9.064 -4.127 1.00 0.00 O ATOM 1133 CB SER A 76 -9.812 -10.984 -5.213 1.00 0.00 C ATOM 1134 OG SER A 76 -10.421 -11.991 -4.423 1.00 0.00 O ATOM 0 H SER A 76 -11.330 -9.015 -5.439 1.00 0.00 H new ATOM 0 HA SER A 76 -9.564 -9.933 -3.352 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.425 -10.787 -6.093 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.843 -11.334 -5.570 1.00 0.00 H new ATOM 0 HG SER A 76 -10.528 -12.806 -4.957 1.00 0.00 H new ATOM 1140 N TYR A 77 -8.372 -8.338 -5.984 1.00 0.00 N ATOM 1141 CA TYR A 77 -7.203 -7.634 -6.496 1.00 0.00 C ATOM 1142 C TYR A 77 -7.375 -6.124 -6.358 1.00 0.00 C ATOM 1143 O TYR A 77 -8.222 -5.523 -7.016 1.00 0.00 O ATOM 1144 CB TYR A 77 -6.962 -8.003 -7.963 1.00 0.00 C ATOM 1145 CG TYR A 77 -5.709 -8.819 -8.182 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -5.516 -10.025 -7.517 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -4.717 -8.386 -9.054 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -4.371 -10.774 -7.716 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -3.570 -9.131 -9.258 1.00 0.00 C ATOM 1150 CZ TYR A 77 -3.403 -10.323 -8.586 1.00 0.00 C ATOM 1151 OH TYR A 77 -2.262 -11.066 -8.785 1.00 0.00 O ATOM 0 H TYR A 77 -9.198 -8.274 -6.580 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.338 -7.937 -5.907 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.820 -8.563 -8.334 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.899 -7.089 -8.553 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -6.273 -10.382 -6.834 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.844 -7.452 -9.581 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.236 -11.708 -7.192 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.809 -8.781 -9.940 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.682 -10.609 -9.429 1.00 0.00 H new ATOM 1161 N VAL A 78 -6.564 -5.519 -5.495 1.00 0.00 N ATOM 1162 CA VAL A 78 -6.626 -4.080 -5.270 1.00 0.00 C ATOM 1163 C VAL A 78 -5.290 -3.417 -5.588 1.00 0.00 C ATOM 1164 O VAL A 78 -4.230 -3.927 -5.224 1.00 0.00 O ATOM 1165 CB VAL A 78 -7.019 -3.758 -3.815 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -5.984 -4.307 -2.844 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -7.195 -2.258 -3.626 1.00 0.00 C ATOM 0 H VAL A 78 -5.857 -6.003 -4.941 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.390 -3.685 -5.939 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.973 -4.242 -3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.281 -4.069 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.915 -5.389 -2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.014 -3.857 -3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.472 -2.052 -2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.259 -1.750 -3.859 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.980 -1.897 -4.291 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.348 -2.279 -6.272 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.142 -1.545 -6.641 1.00 0.00 C ATOM 1179 C ALA A 79 -4.195 -0.110 -6.128 1.00 0.00 C ATOM 1180 O ALA A 79 -4.927 0.724 -6.662 1.00 0.00 O ATOM 1181 CB ALA A 79 -3.954 -1.565 -8.149 1.00 0.00 C ATOM 0 H ALA A 79 -6.217 -1.845 -6.582 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.288 -2.037 -6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.051 -1.014 -8.410 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.862 -2.596 -8.490 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.815 -1.100 -8.629 1.00 0.00 H new ATOM 1187 N LEU A 80 -3.414 0.172 -5.092 1.00 0.00 N ATOM 1188 CA LEU A 80 -3.370 1.508 -4.509 1.00 0.00 C ATOM 1189 C LEU A 80 -2.070 2.218 -4.871 1.00 0.00 C ATOM 1190 O LEU A 80 -0.981 1.684 -4.662 1.00 0.00 O ATOM 1191 CB LEU A 80 -3.515 1.427 -2.988 1.00 0.00 C ATOM 1192 CG LEU A 80 -4.672 0.559 -2.490 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -4.212 -0.876 -2.285 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -5.247 1.126 -1.201 1.00 0.00 C ATOM 0 H LEU A 80 -2.802 -0.507 -4.638 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.201 2.083 -4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.585 1.040 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.644 2.436 -2.597 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.457 0.563 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.048 -1.479 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.848 -1.280 -3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.410 -0.899 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.069 0.496 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.470 1.153 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.614 2.136 -1.380 1.00 0.00 H new ATOM 1206 N THR A 81 -2.193 3.425 -5.414 1.00 0.00 N ATOM 1207 CA THR A 81 -1.027 4.207 -5.805 1.00 0.00 C ATOM 1208 C THR A 81 -0.333 4.797 -4.581 1.00 0.00 C ATOM 1209 O THR A 81 -0.883 5.662 -3.900 1.00 0.00 O ATOM 1210 CB THR A 81 -1.436 5.328 -6.762 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.200 4.813 -7.838 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.256 6.072 -7.351 1.00 0.00 C ATOM 0 H THR A 81 -3.087 3.882 -5.593 1.00 0.00 H new ATOM 0 HA THR A 81 -0.328 3.542 -6.312 1.00 0.00 H new ATOM 0 HB THR A 81 -2.020 6.024 -6.160 1.00 0.00 H new ATOM 0 HG1 THR A 81 -2.057 5.365 -8.635 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.616 6.853 -8.020 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.328 6.522 -6.548 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.371 5.376 -7.909 1.00 0.00 H new ATOM 1220 N VAL A 82 0.879 4.322 -4.309 1.00 0.00 N ATOM 1221 CA VAL A 82 1.647 4.802 -3.166 1.00 0.00 C ATOM 1222 C VAL A 82 2.884 5.572 -3.618 1.00 0.00 C ATOM 1223 O VAL A 82 3.172 5.658 -4.812 1.00 0.00 O ATOM 1224 CB VAL A 82 2.084 3.639 -2.255 1.00 0.00 C ATOM 1225 CG1 VAL A 82 0.874 2.970 -1.626 1.00 0.00 C ATOM 1226 CG2 VAL A 82 2.914 2.633 -3.037 1.00 0.00 C ATOM 0 H VAL A 82 1.349 3.607 -4.864 1.00 0.00 H new ATOM 0 HA VAL A 82 0.993 5.469 -2.604 1.00 0.00 H new ATOM 0 HB VAL A 82 2.703 4.041 -1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.203 2.151 -0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.324 3.698 -1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.225 2.580 -2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.214 1.818 -2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.321 2.234 -3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.802 3.124 -3.434 1.00 0.00 H new ATOM 1236 N GLN A 83 3.610 6.130 -2.656 1.00 0.00 N ATOM 1237 CA GLN A 83 4.817 6.893 -2.955 1.00 0.00 C ATOM 1238 C GLN A 83 5.891 6.652 -1.899 1.00 0.00 C ATOM 1239 O GLN A 83 5.591 6.545 -0.709 1.00 0.00 O ATOM 1240 CB GLN A 83 4.494 8.386 -3.039 1.00 0.00 C ATOM 1241 CG GLN A 83 5.502 9.182 -3.852 1.00 0.00 C ATOM 1242 CD GLN A 83 4.914 10.459 -4.419 1.00 0.00 C ATOM 1243 OE1 GLN A 83 5.343 11.560 -4.074 1.00 0.00 O ATOM 1244 NE2 GLN A 83 3.928 10.317 -5.297 1.00 0.00 N ATOM 0 H GLN A 83 3.384 6.069 -1.663 1.00 0.00 H new ATOM 0 HA GLN A 83 5.199 6.556 -3.918 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.505 8.511 -3.479 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.448 8.797 -2.030 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.358 9.428 -3.223 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.874 8.564 -4.669 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.604 9.384 -5.554 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.494 11.140 -5.715 1.00 0.00 H new ATOM 1253 N GLY A 84 7.141 6.568 -2.340 1.00 0.00 N ATOM 1254 CA GLY A 84 8.240 6.341 -1.420 1.00 0.00 C ATOM 1255 C GLY A 84 9.149 7.547 -1.293 1.00 0.00 C ATOM 1256 O GLY A 84 9.992 7.791 -2.156 1.00 0.00 O ATOM 0 H GLY A 84 7.413 6.653 -3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.841 6.086 -0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.823 5.485 -1.760 1.00 0.00 H new