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 X(o=0,f=0) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.746 USER MOD Single : A 14 GLN : amide:sc= -0.185 X(o=-0.19,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.511 F(o=-1.8,f=-0.51) 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= -0.0717 X(o=-0.072,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.264 K(o=-0.26,f=-2.8!) 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= -1.03 K(o=-1,f=-7!) USER MOD Single : A 48 THR OG1 : rot 91:sc= 0.0536 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -5.78! C(o=-5.8!,f=-10!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 HIS : +bothHN:sc= -1.44 K(o=-1.4,f=-6.8!) 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 180:sc= -0.127 USER MOD Single : A 83 GLN : amide:sc= -0.567 X(o=-0.57,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 82 N VAL A 7 8.743 9.527 -7.463 1.00 0.00 N ATOM 83 CA VAL A 7 8.490 8.257 -8.132 1.00 0.00 C ATOM 84 C VAL A 7 7.408 7.460 -7.410 1.00 0.00 C ATOM 85 O VAL A 7 7.589 7.045 -6.265 1.00 0.00 O ATOM 86 CB VAL A 7 9.768 7.402 -8.216 1.00 0.00 C ATOM 87 CG1 VAL A 7 9.536 6.178 -9.089 1.00 0.00 C ATOM 88 CG2 VAL A 7 10.929 8.229 -8.746 1.00 0.00 C ATOM 0 HA VAL A 7 8.152 8.494 -9.141 1.00 0.00 H new ATOM 0 HB VAL A 7 10.021 7.061 -7.212 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.450 5.586 -9.136 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.735 5.574 -8.663 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.257 6.495 -10.094 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.824 7.608 -8.799 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.686 8.601 -9.741 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.110 9.071 -8.078 1.00 0.00 H new ATOM 98 N GLN A 8 6.283 7.251 -8.086 1.00 0.00 N ATOM 99 CA GLN A 8 5.171 6.505 -7.511 1.00 0.00 C ATOM 100 C GLN A 8 4.822 5.297 -8.375 1.00 0.00 C ATOM 101 O GLN A 8 4.647 5.417 -9.587 1.00 0.00 O ATOM 102 CB GLN A 8 3.946 7.408 -7.359 1.00 0.00 C ATOM 103 CG GLN A 8 4.226 8.688 -6.588 1.00 0.00 C ATOM 104 CD GLN A 8 3.994 9.935 -7.420 1.00 0.00 C ATOM 105 OE1 GLN A 8 4.939 10.635 -7.785 1.00 0.00 O ATOM 106 NE2 GLN A 8 2.734 10.217 -7.723 1.00 0.00 N ATOM 0 H GLN A 8 6.118 7.589 -9.034 1.00 0.00 H new ATOM 0 HA GLN A 8 5.476 6.150 -6.526 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.569 7.665 -8.349 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.157 6.853 -6.852 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.589 8.722 -5.704 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.258 8.677 -6.237 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.983 9.608 -7.399 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.516 11.043 -8.280 1.00 0.00 H new ATOM 115 N ARG A 9 4.725 4.132 -7.742 1.00 0.00 N ATOM 116 CA ARG A 9 4.398 2.901 -8.452 1.00 0.00 C ATOM 117 C ARG A 9 3.125 2.272 -7.895 1.00 0.00 C ATOM 118 O ARG A 9 2.925 2.222 -6.681 1.00 0.00 O ATOM 119 CB ARG A 9 5.557 1.908 -8.353 1.00 0.00 C ATOM 120 CG ARG A 9 5.397 0.694 -9.255 1.00 0.00 C ATOM 121 CD ARG A 9 5.499 1.074 -10.723 1.00 0.00 C ATOM 122 NE ARG A 9 6.847 1.513 -11.082 1.00 0.00 N ATOM 123 CZ ARG A 9 7.131 2.214 -12.177 1.00 0.00 C ATOM 124 NH1 ARG A 9 6.167 2.559 -13.022 1.00 0.00 N ATOM 125 NH2 ARG A 9 8.382 2.572 -12.428 1.00 0.00 N ATOM 0 H ARG A 9 4.868 4.015 -6.739 1.00 0.00 H new ATOM 0 HA ARG A 9 4.229 3.150 -9.500 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.485 2.419 -8.607 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.650 1.573 -7.320 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.163 -0.043 -9.015 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.432 0.224 -9.066 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.220 0.219 -11.339 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.788 1.871 -10.942 1.00 0.00 H new ATOM 0 HE ARG A 9 7.614 1.268 -10.457 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.202 2.287 -12.834 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.391 3.096 -13.860 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.127 2.310 -11.782 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.600 3.109 -13.267 1.00 0.00 H new ATOM 139 N CYS A 10 2.267 1.792 -8.790 1.00 0.00 N ATOM 140 CA CYS A 10 1.014 1.165 -8.386 1.00 0.00 C ATOM 141 C CYS A 10 1.234 -0.296 -8.007 1.00 0.00 C ATOM 142 O CYS A 10 1.750 -1.083 -8.800 1.00 0.00 O ATOM 143 CB CYS A 10 -0.014 1.260 -9.515 1.00 0.00 C ATOM 144 SG CYS A 10 -1.693 0.804 -9.025 1.00 0.00 S ATOM 0 H CYS A 10 2.417 1.825 -9.798 1.00 0.00 H new ATOM 0 HA CYS A 10 0.636 1.696 -7.512 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.023 2.280 -9.898 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.302 0.614 -10.335 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.489 0.918 -10.046 1.00 0.00 H new ATOM 150 N VAL A 11 0.837 -0.652 -6.789 1.00 0.00 N ATOM 151 CA VAL A 11 0.991 -2.019 -6.304 1.00 0.00 C ATOM 152 C VAL A 11 -0.364 -2.696 -6.135 1.00 0.00 C ATOM 153 O VAL A 11 -1.254 -2.171 -5.466 1.00 0.00 O ATOM 154 CB VAL A 11 1.744 -2.057 -4.961 1.00 0.00 C ATOM 155 CG1 VAL A 11 3.197 -1.652 -5.150 1.00 0.00 C ATOM 156 CG2 VAL A 11 1.059 -1.161 -3.937 1.00 0.00 C ATOM 0 H VAL A 11 0.407 -0.013 -6.120 1.00 0.00 H new ATOM 0 HA VAL A 11 1.573 -2.558 -7.052 1.00 0.00 H new ATOM 0 HB VAL A 11 1.724 -3.080 -4.584 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.712 -1.685 -4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.679 -2.340 -5.844 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.243 -0.640 -5.552 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.606 -1.201 -2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.044 -0.135 -4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.037 -1.505 -3.778 1.00 0.00 H new ATOM 166 N ILE A 12 -0.514 -3.867 -6.745 1.00 0.00 N ATOM 167 CA ILE A 12 -1.761 -4.618 -6.662 1.00 0.00 C ATOM 168 C ILE A 12 -1.675 -5.705 -5.595 1.00 0.00 C ATOM 169 O ILE A 12 -1.045 -6.741 -5.800 1.00 0.00 O ATOM 170 CB ILE A 12 -2.120 -5.266 -8.013 1.00 0.00 C ATOM 171 CG1 ILE A 12 -2.068 -4.226 -9.134 1.00 0.00 C ATOM 172 CG2 ILE A 12 -3.497 -5.909 -7.944 1.00 0.00 C ATOM 173 CD1 ILE A 12 -1.502 -4.763 -10.431 1.00 0.00 C ATOM 0 H ILE A 12 0.213 -4.316 -7.302 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.542 -3.907 -6.392 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.388 -6.044 -8.230 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.074 -3.848 -9.315 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.464 -3.380 -8.806 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.736 -6.362 -8.906 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.502 -6.677 -7.170 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.242 -5.149 -7.706 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.495 -3.971 -11.180 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.484 -5.115 -10.266 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.119 -5.590 -10.782 1.00 0.00 H new ATOM 185 N ILE A 13 -2.315 -5.459 -4.455 1.00 0.00 N ATOM 186 CA ILE A 13 -2.309 -6.417 -3.355 1.00 0.00 C ATOM 187 C ILE A 13 -3.434 -7.436 -3.509 1.00 0.00 C ATOM 188 O ILE A 13 -4.612 -7.085 -3.472 1.00 0.00 O ATOM 189 CB ILE A 13 -2.455 -5.713 -1.993 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.525 -4.500 -1.915 1.00 0.00 C ATOM 191 CG2 ILE A 13 -2.160 -6.685 -0.860 1.00 0.00 C ATOM 192 CD1 ILE A 13 -1.817 -3.589 -0.742 1.00 0.00 C ATOM 0 H ILE A 13 -2.843 -4.606 -4.270 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.348 -6.930 -3.389 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.483 -5.365 -1.891 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.494 -4.847 -1.848 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.609 -3.928 -2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.267 -6.173 0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.860 -7.520 -0.905 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.141 -7.060 -0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.120 -2.751 -0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.837 -3.213 -0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.704 -4.146 0.188 1.00 0.00 H new ATOM 204 N GLN A 14 -3.059 -8.700 -3.683 1.00 0.00 N ATOM 205 CA GLN A 14 -4.035 -9.771 -3.842 1.00 0.00 C ATOM 206 C GLN A 14 -4.477 -10.308 -2.483 1.00 0.00 C ATOM 207 O GLN A 14 -3.653 -10.529 -1.595 1.00 0.00 O ATOM 208 CB GLN A 14 -3.445 -10.904 -4.687 1.00 0.00 C ATOM 209 CG GLN A 14 -4.388 -11.413 -5.763 1.00 0.00 C ATOM 210 CD GLN A 14 -3.792 -12.549 -6.569 1.00 0.00 C ATOM 211 OE1 GLN A 14 -4.417 -13.596 -6.749 1.00 0.00 O ATOM 212 NE2 GLN A 14 -2.573 -12.350 -7.062 1.00 0.00 N ATOM 0 H GLN A 14 -2.087 -9.007 -3.717 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.908 -9.364 -4.353 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.525 -10.555 -5.157 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.174 -11.732 -4.032 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.315 -11.749 -5.299 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.646 -10.593 -6.433 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.091 -11.468 -6.889 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.120 -13.079 -7.613 1.00 0.00 H new ATOM 221 N LYS A 15 -5.779 -10.516 -2.329 1.00 0.00 N ATOM 222 CA LYS A 15 -6.328 -11.027 -1.078 1.00 0.00 C ATOM 223 C LYS A 15 -5.844 -12.448 -0.811 1.00 0.00 C ATOM 224 O LYS A 15 -5.645 -13.232 -1.741 1.00 0.00 O ATOM 225 CB LYS A 15 -7.858 -10.997 -1.117 1.00 0.00 C ATOM 226 CG LYS A 15 -8.496 -10.808 0.251 1.00 0.00 C ATOM 227 CD LYS A 15 -9.541 -11.874 0.536 1.00 0.00 C ATOM 228 CE LYS A 15 -10.953 -11.343 0.340 1.00 0.00 C ATOM 229 NZ LYS A 15 -11.681 -11.214 1.633 1.00 0.00 N ATOM 0 H LYS A 15 -6.474 -10.339 -3.054 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.979 -10.385 -0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.181 -10.190 -1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.221 -11.928 -1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.724 -10.840 1.020 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.958 -9.822 0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.379 -12.728 -0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.426 -12.233 1.559 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.911 -10.371 -0.152 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.504 -12.011 -0.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.639 -10.849 1.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.744 -12.146 2.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.169 -10.557 2.255 1.00 0.00 H new ATOM 243 N ASP A 16 -5.657 -12.776 0.462 1.00 0.00 N ATOM 244 CA ASP A 16 -5.195 -14.104 0.851 1.00 0.00 C ATOM 245 C ASP A 16 -6.288 -14.861 1.597 1.00 0.00 C ATOM 246 O ASP A 16 -7.420 -14.389 1.709 1.00 0.00 O ATOM 247 CB ASP A 16 -3.944 -13.996 1.727 1.00 0.00 C ATOM 248 CG ASP A 16 -2.904 -13.067 1.136 1.00 0.00 C ATOM 249 OD1 ASP A 16 -2.870 -12.924 -0.105 1.00 0.00 O ATOM 250 OD2 ASP A 16 -2.120 -12.482 1.913 1.00 0.00 O ATOM 0 H ASP A 16 -5.818 -12.140 1.243 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.948 -14.656 -0.056 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.227 -13.638 2.717 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.509 -14.987 1.859 1.00 0.00 H new ATOM 255 N ASP A 17 -5.942 -16.039 2.106 1.00 0.00 N ATOM 256 CA ASP A 17 -6.894 -16.863 2.841 1.00 0.00 C ATOM 257 C ASP A 17 -7.419 -16.125 4.069 1.00 0.00 C ATOM 258 O ASP A 17 -8.555 -16.334 4.494 1.00 0.00 O ATOM 259 CB ASP A 17 -6.241 -18.180 3.265 1.00 0.00 C ATOM 260 CG ASP A 17 -4.968 -17.964 4.059 1.00 0.00 C ATOM 261 OD1 ASP A 17 -4.015 -17.378 3.503 1.00 0.00 O ATOM 262 OD2 ASP A 17 -4.923 -18.382 5.234 1.00 0.00 O ATOM 0 H ASP A 17 -5.010 -16.444 2.023 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.734 -17.078 2.181 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.946 -18.756 3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.017 -18.773 2.379 1.00 0.00 H new ATOM 267 N ASN A 18 -6.583 -15.260 4.635 1.00 0.00 N ATOM 268 CA ASN A 18 -6.962 -14.490 5.814 1.00 0.00 C ATOM 269 C ASN A 18 -7.522 -13.128 5.420 1.00 0.00 C ATOM 270 O ASN A 18 -8.519 -12.670 5.977 1.00 0.00 O ATOM 271 CB ASN A 18 -5.758 -14.310 6.740 1.00 0.00 C ATOM 272 CG ASN A 18 -5.079 -15.626 7.068 1.00 0.00 C ATOM 273 OD1 ASN A 18 -4.180 -16.060 6.192 1.00 0.00 O flip ATOM 274 ND2 ASN A 18 -5.357 -16.243 8.096 1.00 0.00 N flip ATOM 0 H ASN A 18 -5.639 -15.075 4.296 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.739 -15.043 6.342 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.038 -13.640 6.270 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.082 -13.831 7.664 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.055 -15.872 8.741 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.890 -17.126 8.303 1.00 0.00 H new ATOM 281 N GLY A 19 -6.874 -12.484 4.452 1.00 0.00 N ATOM 282 CA GLY A 19 -7.323 -11.181 3.999 1.00 0.00 C ATOM 283 C GLY A 19 -6.258 -10.114 4.157 1.00 0.00 C ATOM 284 O GLY A 19 -6.353 -9.254 5.033 1.00 0.00 O ATOM 0 H GLY A 19 -6.047 -12.842 3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.616 -11.245 2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.211 -10.890 4.561 1.00 0.00 H new ATOM 288 N PHE A 20 -5.238 -10.168 3.305 1.00 0.00 N ATOM 289 CA PHE A 20 -4.149 -9.199 3.351 1.00 0.00 C ATOM 290 C PHE A 20 -3.390 -9.294 4.672 1.00 0.00 C ATOM 291 O PHE A 20 -3.982 -9.546 5.721 1.00 0.00 O ATOM 292 CB PHE A 20 -4.689 -7.780 3.161 1.00 0.00 C ATOM 293 CG PHE A 20 -5.685 -7.662 2.042 1.00 0.00 C ATOM 294 CD1 PHE A 20 -5.258 -7.537 0.730 1.00 0.00 C ATOM 295 CD2 PHE A 20 -7.044 -7.678 2.304 1.00 0.00 C ATOM 296 CE1 PHE A 20 -6.172 -7.428 -0.301 1.00 0.00 C ATOM 297 CE2 PHE A 20 -7.963 -7.570 1.277 1.00 0.00 C ATOM 298 CZ PHE A 20 -7.526 -7.446 -0.028 1.00 0.00 C ATOM 0 H PHE A 20 -5.144 -10.873 2.574 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.459 -9.429 2.539 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.156 -7.450 4.089 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.855 -7.105 2.967 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.201 -7.525 0.511 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.390 -7.776 3.322 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.828 -7.329 -1.320 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -9.021 -7.583 1.494 1.00 0.00 H new ATOM 0 HZ PHE A 20 -8.241 -7.363 -0.833 1.00 0.00 H new ATOM 308 N GLY A 21 -2.079 -9.089 4.611 1.00 0.00 N ATOM 309 CA GLY A 21 -1.261 -9.157 5.809 1.00 0.00 C ATOM 310 C GLY A 21 -0.660 -7.815 6.180 1.00 0.00 C ATOM 311 O GLY A 21 -0.379 -7.555 7.349 1.00 0.00 O ATOM 0 H GLY A 21 -1.568 -8.877 3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.867 -9.522 6.638 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.460 -9.881 5.657 1.00 0.00 H new ATOM 315 N LEU A 22 -0.461 -6.959 5.181 1.00 0.00 N ATOM 316 CA LEU A 22 0.110 -5.636 5.409 1.00 0.00 C ATOM 317 C LEU A 22 -0.754 -4.829 6.373 1.00 0.00 C ATOM 318 O LEU A 22 -1.981 -4.850 6.287 1.00 0.00 O ATOM 319 CB LEU A 22 0.257 -4.886 4.084 1.00 0.00 C ATOM 320 CG LEU A 22 -1.021 -4.794 3.246 1.00 0.00 C ATOM 321 CD1 LEU A 22 -1.164 -3.408 2.637 1.00 0.00 C ATOM 322 CD2 LEU A 22 -1.023 -5.860 2.158 1.00 0.00 C ATOM 0 H LEU A 22 -0.687 -7.158 4.207 1.00 0.00 H new ATOM 0 HA LEU A 22 1.096 -5.765 5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.610 -3.876 4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.028 -5.376 3.490 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.875 -4.969 3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.078 -3.363 2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.210 -2.664 3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.307 -3.202 1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.939 -5.780 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.161 -5.716 1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.971 -6.848 2.616 1.00 0.00 H new ATOM 334 N THR A 23 -0.104 -4.118 7.288 1.00 0.00 N ATOM 335 CA THR A 23 -0.812 -3.302 8.267 1.00 0.00 C ATOM 336 C THR A 23 -0.756 -1.826 7.888 1.00 0.00 C ATOM 337 O THR A 23 0.322 -1.271 7.668 1.00 0.00 O ATOM 338 CB THR A 23 -0.214 -3.507 9.659 1.00 0.00 C ATOM 339 OG1 THR A 23 -0.207 -4.880 10.005 1.00 0.00 O ATOM 340 CG2 THR A 23 -0.961 -2.765 10.747 1.00 0.00 C ATOM 0 H THR A 23 0.912 -4.090 7.372 1.00 0.00 H new ATOM 0 HA THR A 23 -1.856 -3.615 8.278 1.00 0.00 H new ATOM 0 HB THR A 23 0.799 -3.109 9.599 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.181 -4.990 10.898 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.485 -2.954 11.709 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.943 -1.696 10.537 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.994 -3.111 10.780 1.00 0.00 H new ATOM 348 N VAL A 24 -1.922 -1.195 7.814 1.00 0.00 N ATOM 349 CA VAL A 24 -2.006 0.218 7.461 1.00 0.00 C ATOM 350 C VAL A 24 -2.777 1.002 8.520 1.00 0.00 C ATOM 351 O VAL A 24 -3.812 0.550 9.009 1.00 0.00 O ATOM 352 CB VAL A 24 -2.684 0.415 6.091 1.00 0.00 C ATOM 353 CG1 VAL A 24 -4.117 -0.097 6.120 1.00 0.00 C ATOM 354 CG2 VAL A 24 -2.638 1.879 5.675 1.00 0.00 C ATOM 0 H VAL A 24 -2.823 -1.639 7.994 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.985 0.595 7.407 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.134 -0.165 5.350 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.576 0.052 5.143 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.119 -1.159 6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.683 0.449 6.874 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.122 1.997 4.705 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.159 2.485 6.417 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.600 2.205 5.605 1.00 0.00 H new ATOM 364 N SER A 25 -2.267 2.179 8.865 1.00 0.00 N ATOM 365 CA SER A 25 -2.909 3.027 9.863 1.00 0.00 C ATOM 366 C SER A 25 -2.650 4.501 9.571 1.00 0.00 C ATOM 367 O SER A 25 -1.514 4.903 9.319 1.00 0.00 O ATOM 368 CB SER A 25 -2.402 2.675 11.264 1.00 0.00 C ATOM 369 OG SER A 25 -1.037 2.295 11.232 1.00 0.00 O ATOM 0 H SER A 25 -1.411 2.568 8.469 1.00 0.00 H new ATOM 0 HA SER A 25 -3.984 2.850 9.818 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.529 3.532 11.926 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.999 1.862 11.677 1.00 0.00 H new ATOM 0 HG SER A 25 -0.737 2.077 12.139 1.00 0.00 H new ATOM 375 N GLY A 26 -3.709 5.302 9.607 1.00 0.00 N ATOM 376 CA GLY A 26 -3.571 6.722 9.342 1.00 0.00 C ATOM 377 C GLY A 26 -4.877 7.475 9.514 1.00 0.00 C ATOM 378 O GLY A 26 -5.893 7.110 8.923 1.00 0.00 O ATOM 0 H GLY A 26 -4.659 4.994 9.815 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.822 7.142 10.013 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.204 6.865 8.325 1.00 0.00 H new ATOM 382 N ASP A 27 -4.847 8.530 10.322 1.00 0.00 N ATOM 383 CA ASP A 27 -6.038 9.339 10.566 1.00 0.00 C ATOM 384 C ASP A 27 -6.574 9.916 9.259 1.00 0.00 C ATOM 385 O ASP A 27 -7.549 9.414 8.701 1.00 0.00 O ATOM 386 CB ASP A 27 -5.722 10.468 11.550 1.00 0.00 C ATOM 387 CG ASP A 27 -6.175 10.147 12.961 1.00 0.00 C ATOM 388 OD1 ASP A 27 -7.203 9.455 13.112 1.00 0.00 O ATOM 389 OD2 ASP A 27 -5.499 10.588 13.915 1.00 0.00 O ATOM 0 H ASP A 27 -4.013 8.845 10.818 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.804 8.697 11.001 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.648 10.657 11.550 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.207 11.385 11.215 1.00 0.00 H new ATOM 394 N ASN A 28 -5.926 10.970 8.774 1.00 0.00 N ATOM 395 CA ASN A 28 -6.335 11.609 7.527 1.00 0.00 C ATOM 396 C ASN A 28 -5.651 10.945 6.334 1.00 0.00 C ATOM 397 O ASN A 28 -6.313 10.538 5.377 1.00 0.00 O ATOM 398 CB ASN A 28 -6.011 13.104 7.561 1.00 0.00 C ATOM 399 CG ASN A 28 -7.244 13.968 7.390 1.00 0.00 C ATOM 400 OD1 ASN A 28 -7.507 14.862 8.195 1.00 0.00 O ATOM 401 ND2 ASN A 28 -8.010 13.704 6.338 1.00 0.00 N ATOM 0 H ASN A 28 -5.117 11.399 9.224 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.413 11.489 7.418 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.529 13.347 8.508 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.296 13.336 6.771 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.854 14.252 6.172 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.754 12.954 5.696 1.00 0.00 H new ATOM 408 N PRO A 29 -4.311 10.819 6.371 1.00 0.00 N ATOM 409 CA PRO A 29 -3.542 10.197 5.291 1.00 0.00 C ATOM 410 C PRO A 29 -3.720 8.682 5.267 1.00 0.00 C ATOM 411 O PRO A 29 -4.609 8.142 5.923 1.00 0.00 O ATOM 412 CB PRO A 29 -2.081 10.558 5.616 1.00 0.00 C ATOM 413 CG PRO A 29 -2.143 11.531 6.748 1.00 0.00 C ATOM 414 CD PRO A 29 -3.435 11.266 7.461 1.00 0.00 C ATOM 0 HA PRO A 29 -3.865 10.548 4.311 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.512 9.671 5.894 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.585 10.997 4.750 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.294 11.401 7.420 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.105 12.557 6.381 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.324 10.503 8.232 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.820 12.161 7.950 1.00 0.00 H new ATOM 422 N VAL A 30 -2.864 8.002 4.511 1.00 0.00 N ATOM 423 CA VAL A 30 -2.925 6.549 4.406 1.00 0.00 C ATOM 424 C VAL A 30 -1.562 5.968 4.048 1.00 0.00 C ATOM 425 O VAL A 30 -1.193 5.903 2.876 1.00 0.00 O ATOM 426 CB VAL A 30 -3.954 6.098 3.351 1.00 0.00 C ATOM 427 CG1 VAL A 30 -4.138 4.589 3.394 1.00 0.00 C ATOM 428 CG2 VAL A 30 -5.283 6.810 3.561 1.00 0.00 C ATOM 0 H VAL A 30 -2.120 8.434 3.962 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.234 6.177 5.383 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.576 6.367 2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.868 4.290 2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.185 4.100 3.189 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.492 4.294 4.382 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.997 6.479 2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.669 6.575 4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.137 7.887 3.474 1.00 0.00 H new ATOM 438 N PHE A 31 -0.817 5.548 5.065 1.00 0.00 N ATOM 439 CA PHE A 31 0.507 4.974 4.857 1.00 0.00 C ATOM 440 C PHE A 31 0.569 3.545 5.385 1.00 0.00 C ATOM 441 O PHE A 31 -0.082 3.208 6.373 1.00 0.00 O ATOM 442 CB PHE A 31 1.571 5.830 5.545 1.00 0.00 C ATOM 443 CG PHE A 31 1.219 6.205 6.957 1.00 0.00 C ATOM 444 CD1 PHE A 31 0.312 7.223 7.211 1.00 0.00 C ATOM 445 CD2 PHE A 31 1.793 5.540 8.030 1.00 0.00 C ATOM 446 CE1 PHE A 31 -0.014 7.569 8.509 1.00 0.00 C ATOM 447 CE2 PHE A 31 1.471 5.884 9.328 1.00 0.00 C ATOM 448 CZ PHE A 31 0.566 6.899 9.570 1.00 0.00 C ATOM 0 H PHE A 31 -1.108 5.594 6.042 1.00 0.00 H new ATOM 0 HA PHE A 31 0.703 4.955 3.785 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.517 5.288 5.547 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.726 6.739 4.964 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.144 7.751 6.386 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.500 4.744 7.848 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.722 8.363 8.694 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.927 5.359 10.154 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.312 7.168 10.585 1.00 0.00 H new ATOM 458 N VAL A 32 1.359 2.709 4.719 1.00 0.00 N ATOM 459 CA VAL A 32 1.507 1.315 5.121 1.00 0.00 C ATOM 460 C VAL A 32 2.660 1.147 6.106 1.00 0.00 C ATOM 461 O VAL A 32 3.806 1.470 5.795 1.00 0.00 O ATOM 462 CB VAL A 32 1.752 0.401 3.905 1.00 0.00 C ATOM 463 CG1 VAL A 32 1.696 -1.062 4.316 1.00 0.00 C ATOM 464 CG2 VAL A 32 0.741 0.694 2.806 1.00 0.00 C ATOM 0 H VAL A 32 1.906 2.972 3.899 1.00 0.00 H new ATOM 0 HA VAL A 32 0.573 1.025 5.602 1.00 0.00 H new ATOM 0 HB VAL A 32 2.749 0.605 3.514 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.871 -1.692 3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.462 -1.259 5.066 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.714 -1.285 4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.929 0.039 1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.267 0.519 3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.836 1.734 2.492 1.00 0.00 H new ATOM 474 N GLN A 33 2.347 0.642 7.295 1.00 0.00 N ATOM 475 CA GLN A 33 3.357 0.432 8.326 1.00 0.00 C ATOM 476 C GLN A 33 4.148 -0.844 8.061 1.00 0.00 C ATOM 477 O GLN A 33 5.376 -0.821 7.980 1.00 0.00 O ATOM 478 CB GLN A 33 2.701 0.363 9.706 1.00 0.00 C ATOM 479 CG GLN A 33 3.645 0.706 10.846 1.00 0.00 C ATOM 480 CD GLN A 33 3.432 -0.169 12.064 1.00 0.00 C ATOM 481 OE1 GLN A 33 2.608 -1.085 12.048 1.00 0.00 O ATOM 482 NE2 GLN A 33 4.175 0.105 13.129 1.00 0.00 N ATOM 0 H GLN A 33 1.402 0.371 7.568 1.00 0.00 H new ATOM 0 HA GLN A 33 4.046 1.276 8.301 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.852 1.046 9.730 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.306 -0.641 9.862 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.675 0.601 10.504 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.507 1.751 11.125 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.846 0.873 13.099 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.075 -0.452 13.977 1.00 0.00 H new ATOM 491 N SER A 34 3.436 -1.959 7.927 1.00 0.00 N ATOM 492 CA SER A 34 4.072 -3.246 7.672 1.00 0.00 C ATOM 493 C SER A 34 3.468 -3.915 6.441 1.00 0.00 C ATOM 494 O SER A 34 2.344 -3.610 6.045 1.00 0.00 O ATOM 495 CB SER A 34 3.922 -4.162 8.889 1.00 0.00 C ATOM 496 OG SER A 34 5.034 -4.037 9.759 1.00 0.00 O ATOM 0 H SER A 34 2.419 -1.997 7.991 1.00 0.00 H new ATOM 0 HA SER A 34 5.132 -3.070 7.486 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.006 -3.913 9.425 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.827 -5.197 8.560 1.00 0.00 H new ATOM 0 HG SER A 34 4.915 -4.630 10.530 1.00 0.00 H new ATOM 502 N VAL A 35 4.223 -4.830 5.840 1.00 0.00 N ATOM 503 CA VAL A 35 3.763 -5.542 4.655 1.00 0.00 C ATOM 504 C VAL A 35 4.085 -7.030 4.748 1.00 0.00 C ATOM 505 O VAL A 35 5.160 -7.414 5.210 1.00 0.00 O ATOM 506 CB VAL A 35 4.397 -4.970 3.373 1.00 0.00 C ATOM 507 CG1 VAL A 35 3.876 -3.568 3.098 1.00 0.00 C ATOM 508 CG2 VAL A 35 5.914 -4.970 3.483 1.00 0.00 C ATOM 0 H VAL A 35 5.156 -5.095 6.155 1.00 0.00 H new ATOM 0 HA VAL A 35 2.682 -5.409 4.607 1.00 0.00 H new ATOM 0 HB VAL A 35 4.115 -5.608 2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.335 -3.181 2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.794 -3.600 2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.125 -2.917 3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.345 -4.563 2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.217 -4.357 4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.268 -5.991 3.628 1.00 0.00 H new ATOM 518 N LYS A 36 3.147 -7.861 4.306 1.00 0.00 N ATOM 519 CA LYS A 36 3.331 -9.307 4.340 1.00 0.00 C ATOM 520 C LYS A 36 4.548 -9.721 3.518 1.00 0.00 C ATOM 521 O LYS A 36 4.537 -9.642 2.289 1.00 0.00 O ATOM 522 CB LYS A 36 2.081 -10.013 3.810 1.00 0.00 C ATOM 523 CG LYS A 36 2.076 -11.512 4.061 1.00 0.00 C ATOM 524 CD LYS A 36 2.209 -11.831 5.544 1.00 0.00 C ATOM 525 CE LYS A 36 1.167 -12.841 5.994 1.00 0.00 C ATOM 526 NZ LYS A 36 1.583 -14.240 5.699 1.00 0.00 N ATOM 0 H LYS A 36 2.253 -7.558 3.920 1.00 0.00 H new ATOM 0 HA LYS A 36 3.497 -9.602 5.376 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.200 -9.572 4.276 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.999 -9.832 2.738 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.152 -11.943 3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.896 -11.976 3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.206 -12.222 5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.103 -10.915 6.125 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.995 -12.732 7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.220 -12.632 5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.844 -14.897 6.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.723 -14.352 4.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.473 -14.449 6.194 1.00 0.00 H new ATOM 540 N GLU A 37 5.597 -10.163 4.204 1.00 0.00 N ATOM 541 CA GLU A 37 6.822 -10.590 3.539 1.00 0.00 C ATOM 542 C GLU A 37 6.601 -11.893 2.779 1.00 0.00 C ATOM 543 O GLU A 37 6.044 -12.852 3.316 1.00 0.00 O ATOM 544 CB GLU A 37 7.950 -10.762 4.561 1.00 0.00 C ATOM 545 CG GLU A 37 9.234 -10.048 4.175 1.00 0.00 C ATOM 546 CD GLU A 37 10.299 -10.141 5.251 1.00 0.00 C ATOM 547 OE1 GLU A 37 10.218 -9.377 6.236 1.00 0.00 O ATOM 548 OE2 GLU A 37 11.214 -10.979 5.108 1.00 0.00 O ATOM 0 H GLU A 37 5.623 -10.235 5.221 1.00 0.00 H new ATOM 0 HA GLU A 37 7.107 -9.818 2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.613 -10.389 5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.158 -11.825 4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.619 -10.476 3.250 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.016 -8.999 3.974 1.00 0.00 H new ATOM 555 N ASP A 38 7.041 -11.924 1.525 1.00 0.00 N ATOM 556 CA ASP A 38 6.891 -13.110 0.692 1.00 0.00 C ATOM 557 C ASP A 38 5.419 -13.477 0.527 1.00 0.00 C ATOM 558 O ASP A 38 5.073 -14.650 0.393 1.00 0.00 O ATOM 559 CB ASP A 38 7.657 -14.288 1.299 1.00 0.00 C ATOM 560 CG ASP A 38 8.072 -15.307 0.255 1.00 0.00 C ATOM 561 OD1 ASP A 38 7.284 -16.242 -0.008 1.00 0.00 O ATOM 562 OD2 ASP A 38 9.181 -15.171 -0.298 1.00 0.00 O ATOM 0 H ASP A 38 7.504 -11.141 1.064 1.00 0.00 H new ATOM 0 HA ASP A 38 7.304 -12.886 -0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.544 -13.916 1.812 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.035 -14.774 2.050 1.00 0.00 H new ATOM 567 N GLY A 39 4.559 -12.464 0.538 1.00 0.00 N ATOM 568 CA GLY A 39 3.136 -12.701 0.389 1.00 0.00 C ATOM 569 C GLY A 39 2.488 -11.747 -0.598 1.00 0.00 C ATOM 570 O GLY A 39 3.136 -11.283 -1.537 1.00 0.00 O ATOM 0 H GLY A 39 4.822 -11.485 0.647 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.975 -13.727 0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.650 -12.600 1.360 1.00 0.00 H new ATOM 574 N ALA A 40 1.211 -11.455 -0.385 1.00 0.00 N ATOM 575 CA ALA A 40 0.476 -10.553 -1.262 1.00 0.00 C ATOM 576 C ALA A 40 1.104 -9.163 -1.270 1.00 0.00 C ATOM 577 O ALA A 40 1.176 -8.510 -2.310 1.00 0.00 O ATOM 578 CB ALA A 40 -0.982 -10.474 -0.836 1.00 0.00 C ATOM 0 H ALA A 40 0.662 -11.830 0.389 1.00 0.00 H new ATOM 0 HA ALA A 40 0.525 -10.951 -2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.519 -9.797 -1.500 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.431 -11.466 -0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.043 -10.103 0.187 1.00 0.00 H new ATOM 584 N ALA A 41 1.556 -8.717 -0.102 1.00 0.00 N ATOM 585 CA ALA A 41 2.177 -7.404 0.024 1.00 0.00 C ATOM 586 C ALA A 41 3.508 -7.352 -0.716 1.00 0.00 C ATOM 587 O ALA A 41 3.777 -6.413 -1.465 1.00 0.00 O ATOM 588 CB ALA A 41 2.373 -7.053 1.491 1.00 0.00 C ATOM 0 H ALA A 41 1.504 -9.245 0.769 1.00 0.00 H new ATOM 0 HA ALA A 41 1.511 -6.670 -0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.838 -6.070 1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.406 -7.039 1.994 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.016 -7.798 1.960 1.00 0.00 H new ATOM 594 N MET A 42 4.338 -8.368 -0.503 1.00 0.00 N ATOM 595 CA MET A 42 5.641 -8.440 -1.150 1.00 0.00 C ATOM 596 C MET A 42 5.492 -8.566 -2.663 1.00 0.00 C ATOM 597 O MET A 42 6.129 -7.838 -3.422 1.00 0.00 O ATOM 598 CB MET A 42 6.439 -9.624 -0.604 1.00 0.00 C ATOM 599 CG MET A 42 7.938 -9.382 -0.570 1.00 0.00 C ATOM 600 SD MET A 42 8.468 -8.523 0.924 1.00 0.00 S ATOM 601 CE MET A 42 10.045 -7.861 0.391 1.00 0.00 C ATOM 0 H MET A 42 4.130 -9.153 0.114 1.00 0.00 H new ATOM 0 HA MET A 42 6.178 -7.517 -0.932 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.093 -9.851 0.404 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.235 -10.502 -1.216 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.458 -10.337 -0.639 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.228 -8.797 -1.443 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.499 -7.301 1.208 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.704 -8.679 0.101 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.892 -7.199 -0.462 1.00 0.00 H new ATOM 611 N ARG A 43 4.645 -9.496 -3.093 1.00 0.00 N ATOM 612 CA ARG A 43 4.413 -9.718 -4.516 1.00 0.00 C ATOM 613 C ARG A 43 3.866 -8.457 -5.180 1.00 0.00 C ATOM 614 O ARG A 43 4.126 -8.200 -6.355 1.00 0.00 O ATOM 615 CB ARG A 43 3.441 -10.882 -4.720 1.00 0.00 C ATOM 616 CG ARG A 43 4.125 -12.183 -5.110 1.00 0.00 C ATOM 617 CD ARG A 43 4.727 -12.101 -6.505 1.00 0.00 C ATOM 618 NE ARG A 43 6.154 -12.414 -6.505 1.00 0.00 N ATOM 619 CZ ARG A 43 6.898 -12.489 -7.607 1.00 0.00 C ATOM 620 NH1 ARG A 43 6.354 -12.273 -8.798 1.00 0.00 N ATOM 621 NH2 ARG A 43 8.188 -12.779 -7.517 1.00 0.00 N ATOM 0 H ARG A 43 4.109 -10.107 -2.477 1.00 0.00 H new ATOM 0 HA ARG A 43 5.367 -9.967 -4.981 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.877 -11.039 -3.801 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.722 -10.613 -5.494 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.908 -12.414 -4.388 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.404 -13.000 -5.071 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.204 -12.792 -7.166 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.576 -11.099 -6.907 1.00 0.00 H new ATOM 0 HE ARG A 43 6.607 -12.585 -5.608 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.362 -12.048 -8.872 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.928 -12.332 -9.639 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.611 -12.945 -6.604 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.758 -12.836 -8.361 1.00 0.00 H new ATOM 635 N ALA A 44 3.108 -7.675 -4.420 1.00 0.00 N ATOM 636 CA ALA A 44 2.525 -6.442 -4.935 1.00 0.00 C ATOM 637 C ALA A 44 3.586 -5.359 -5.125 1.00 0.00 C ATOM 638 O ALA A 44 3.351 -4.364 -5.810 1.00 0.00 O ATOM 639 CB ALA A 44 1.429 -5.948 -4.001 1.00 0.00 C ATOM 0 H ALA A 44 2.883 -7.873 -3.445 1.00 0.00 H new ATOM 0 HA ALA A 44 2.091 -6.659 -5.911 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.002 -5.027 -4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.649 -6.705 -3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.851 -5.758 -3.014 1.00 0.00 H new ATOM 645 N GLY A 45 4.753 -5.558 -4.517 1.00 0.00 N ATOM 646 CA GLY A 45 5.826 -4.588 -4.638 1.00 0.00 C ATOM 647 C GLY A 45 5.677 -3.434 -3.666 1.00 0.00 C ATOM 648 O GLY A 45 6.131 -2.323 -3.938 1.00 0.00 O ATOM 0 H GLY A 45 4.974 -6.372 -3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.781 -5.084 -4.465 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.848 -4.201 -5.657 1.00 0.00 H new ATOM 652 N VAL A 46 5.039 -3.699 -2.531 1.00 0.00 N ATOM 653 CA VAL A 46 4.831 -2.673 -1.515 1.00 0.00 C ATOM 654 C VAL A 46 6.093 -2.456 -0.687 1.00 0.00 C ATOM 655 O VAL A 46 6.967 -3.322 -0.629 1.00 0.00 O ATOM 656 CB VAL A 46 3.671 -3.043 -0.572 1.00 0.00 C ATOM 657 CG1 VAL A 46 3.330 -1.874 0.341 1.00 0.00 C ATOM 658 CG2 VAL A 46 2.452 -3.477 -1.371 1.00 0.00 C ATOM 0 H VAL A 46 4.657 -4.614 -2.291 1.00 0.00 H new ATOM 0 HA VAL A 46 4.582 -1.752 -2.042 1.00 0.00 H new ATOM 0 HB VAL A 46 3.986 -3.880 0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.508 -2.155 1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.203 -1.614 0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.035 -1.015 -0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.642 -3.735 -0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.133 -2.662 -2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.705 -4.346 -1.978 1.00 0.00 H new ATOM 668 N GLN A 47 6.184 -1.295 -0.048 1.00 0.00 N ATOM 669 CA GLN A 47 7.338 -0.964 0.778 1.00 0.00 C ATOM 670 C GLN A 47 6.907 -0.577 2.189 1.00 0.00 C ATOM 671 O GLN A 47 5.885 0.083 2.378 1.00 0.00 O ATOM 672 CB GLN A 47 8.133 0.179 0.144 1.00 0.00 C ATOM 673 CG GLN A 47 8.452 -0.042 -1.326 1.00 0.00 C ATOM 674 CD GLN A 47 7.420 0.580 -2.246 1.00 0.00 C ATOM 675 OE1 GLN A 47 6.215 0.426 -2.041 1.00 0.00 O ATOM 676 NE2 GLN A 47 7.887 1.286 -3.268 1.00 0.00 N ATOM 0 H GLN A 47 5.471 -0.567 -0.087 1.00 0.00 H new ATOM 0 HA GLN A 47 7.972 -1.848 0.842 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.568 1.105 0.249 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.065 0.310 0.693 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.433 0.379 -1.549 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.512 -1.112 -1.524 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.893 1.388 -3.400 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.240 1.727 -3.921 1.00 0.00 H new ATOM 685 N THR A 48 7.692 -0.993 3.178 1.00 0.00 N ATOM 686 CA THR A 48 7.390 -0.690 4.572 1.00 0.00 C ATOM 687 C THR A 48 7.448 0.813 4.827 1.00 0.00 C ATOM 688 O THR A 48 8.432 1.473 4.494 1.00 0.00 O ATOM 689 CB THR A 48 8.371 -1.413 5.496 1.00 0.00 C ATOM 690 OG1 THR A 48 8.863 -2.592 4.883 1.00 0.00 O ATOM 691 CG2 THR A 48 7.762 -1.805 6.825 1.00 0.00 C ATOM 0 H THR A 48 8.541 -1.540 3.040 1.00 0.00 H new ATOM 0 HA THR A 48 6.379 -1.038 4.783 1.00 0.00 H new ATOM 0 HB THR A 48 9.175 -0.700 5.679 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.683 -2.386 4.388 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.511 -2.314 7.432 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.419 -0.911 7.346 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.918 -2.473 6.655 1.00 0.00 H new ATOM 699 N GLY A 49 6.383 1.348 5.419 1.00 0.00 N ATOM 700 CA GLY A 49 6.332 2.768 5.707 1.00 0.00 C ATOM 701 C GLY A 49 6.261 3.614 4.451 1.00 0.00 C ATOM 702 O GLY A 49 7.010 4.579 4.300 1.00 0.00 O ATOM 0 H GLY A 49 5.556 0.823 5.703 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.464 2.978 6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.214 3.051 6.282 1.00 0.00 H new ATOM 706 N ASP A 50 5.358 3.249 3.547 1.00 0.00 N ATOM 707 CA ASP A 50 5.191 3.980 2.296 1.00 0.00 C ATOM 708 C ASP A 50 3.986 4.912 2.366 1.00 0.00 C ATOM 709 O ASP A 50 3.241 4.907 3.346 1.00 0.00 O ATOM 710 CB ASP A 50 5.028 3.005 1.129 1.00 0.00 C ATOM 711 CG ASP A 50 3.937 1.982 1.382 1.00 0.00 C ATOM 712 OD1 ASP A 50 2.962 2.316 2.087 1.00 0.00 O ATOM 713 OD2 ASP A 50 4.058 0.848 0.872 1.00 0.00 O ATOM 0 H ASP A 50 4.731 2.452 3.657 1.00 0.00 H new ATOM 0 HA ASP A 50 6.085 4.583 2.135 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.796 3.563 0.222 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.973 2.490 0.954 1.00 0.00 H new ATOM 718 N ARG A 51 3.801 5.711 1.320 1.00 0.00 N ATOM 719 CA ARG A 51 2.685 6.650 1.262 1.00 0.00 C ATOM 720 C ARG A 51 1.694 6.245 0.175 1.00 0.00 C ATOM 721 O ARG A 51 2.085 5.934 -0.951 1.00 0.00 O ATOM 722 CB ARG A 51 3.200 8.068 1.003 1.00 0.00 C ATOM 723 CG ARG A 51 3.050 8.996 2.199 1.00 0.00 C ATOM 724 CD ARG A 51 3.416 10.428 1.842 1.00 0.00 C ATOM 725 NE ARG A 51 2.233 11.255 1.619 1.00 0.00 N ATOM 726 CZ ARG A 51 1.502 11.784 2.598 1.00 0.00 C ATOM 727 NH1 ARG A 51 1.827 11.571 3.867 1.00 0.00 N ATOM 728 NH2 ARG A 51 0.442 12.527 2.308 1.00 0.00 N ATOM 0 H ARG A 51 4.409 5.727 0.501 1.00 0.00 H new ATOM 0 HA ARG A 51 2.170 6.630 2.222 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.252 8.018 0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.663 8.492 0.155 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.023 8.961 2.561 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.687 8.649 3.013 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.015 10.860 2.644 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.035 10.431 0.945 1.00 0.00 H new ATOM 0 HE ARG A 51 1.950 11.438 0.656 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.640 11.000 4.096 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.264 11.979 4.613 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.187 12.693 1.335 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.118 12.932 3.058 1.00 0.00 H new ATOM 742 N ILE A 52 0.410 6.252 0.517 1.00 0.00 N ATOM 743 CA ILE A 52 -0.635 5.888 -0.431 1.00 0.00 C ATOM 744 C ILE A 52 -1.394 7.120 -0.913 1.00 0.00 C ATOM 745 O ILE A 52 -2.076 7.786 -0.133 1.00 0.00 O ATOM 746 CB ILE A 52 -1.634 4.893 0.189 1.00 0.00 C ATOM 747 CG1 ILE A 52 -0.890 3.731 0.849 1.00 0.00 C ATOM 748 CG2 ILE A 52 -2.597 4.379 -0.873 1.00 0.00 C ATOM 749 CD1 ILE A 52 -1.806 2.722 1.507 1.00 0.00 C ATOM 0 H ILE A 52 0.069 6.506 1.444 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.141 5.414 -1.279 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.211 5.411 0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.285 3.224 0.097 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.203 4.128 1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.297 3.677 -0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.148 5.217 -1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.036 3.875 -1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.210 1.927 1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.393 3.215 2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.476 2.297 0.760 1.00 0.00 H new ATOM 761 N ILE A 53 -1.271 7.417 -2.202 1.00 0.00 N ATOM 762 CA ILE A 53 -1.944 8.569 -2.788 1.00 0.00 C ATOM 763 C ILE A 53 -3.274 8.169 -3.417 1.00 0.00 C ATOM 764 O ILE A 53 -4.213 8.964 -3.467 1.00 0.00 O ATOM 765 CB ILE A 53 -1.068 9.248 -3.856 1.00 0.00 C ATOM 766 CG1 ILE A 53 0.347 9.474 -3.321 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.691 10.567 -4.293 1.00 0.00 C ATOM 768 CD1 ILE A 53 1.311 8.362 -3.677 1.00 0.00 C ATOM 0 H ILE A 53 -0.711 6.875 -2.861 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.127 9.274 -1.977 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.007 8.591 -4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.730 10.416 -3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.305 9.575 -2.236 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.060 11.035 -5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.680 10.381 -4.711 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.780 11.230 -3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.295 8.588 -3.266 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.951 7.421 -3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.382 8.275 -4.761 1.00 0.00 H new ATOM 780 N LYS A 54 -3.349 6.932 -3.900 1.00 0.00 N ATOM 781 CA LYS A 54 -4.565 6.430 -4.527 1.00 0.00 C ATOM 782 C LYS A 54 -4.885 5.019 -4.046 1.00 0.00 C ATOM 783 O LYS A 54 -3.986 4.206 -3.830 1.00 0.00 O ATOM 784 CB LYS A 54 -4.421 6.443 -6.050 1.00 0.00 C ATOM 785 CG LYS A 54 -5.677 6.894 -6.777 1.00 0.00 C ATOM 786 CD LYS A 54 -5.447 6.990 -8.277 1.00 0.00 C ATOM 787 CE LYS A 54 -6.148 8.201 -8.871 1.00 0.00 C ATOM 788 NZ LYS A 54 -5.294 9.420 -8.816 1.00 0.00 N ATOM 0 H LYS A 54 -2.582 6.260 -3.869 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.388 7.085 -4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.597 7.102 -6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.154 5.442 -6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.487 6.193 -6.576 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.993 7.864 -6.393 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.378 7.052 -8.479 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.811 6.084 -8.761 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.417 7.993 -9.907 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.077 8.384 -8.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.808 10.223 -9.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.058 9.634 -7.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.419 9.255 -9.353 1.00 0.00 H new ATOM 802 N VAL A 55 -6.172 4.734 -3.879 1.00 0.00 N ATOM 803 CA VAL A 55 -6.612 3.421 -3.425 1.00 0.00 C ATOM 804 C VAL A 55 -7.650 2.831 -4.375 1.00 0.00 C ATOM 805 O VAL A 55 -8.797 3.275 -4.411 1.00 0.00 O ATOM 806 CB VAL A 55 -7.212 3.489 -2.007 1.00 0.00 C ATOM 807 CG1 VAL A 55 -6.127 3.788 -0.983 1.00 0.00 C ATOM 808 CG2 VAL A 55 -8.322 4.529 -1.942 1.00 0.00 C ATOM 0 H VAL A 55 -6.929 5.396 -4.052 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.731 2.780 -3.409 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.646 2.518 -1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.569 3.832 0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.373 3.001 -1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.661 4.745 -1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.732 4.561 -0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.919 5.508 -2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.111 4.264 -2.646 1.00 0.00 H new ATOM 818 N ASN A 56 -7.238 1.828 -5.144 1.00 0.00 N ATOM 819 CA ASN A 56 -8.132 1.179 -6.096 1.00 0.00 C ATOM 820 C ASN A 56 -8.644 2.178 -7.128 1.00 0.00 C ATOM 821 O ASN A 56 -9.768 2.061 -7.613 1.00 0.00 O ATOM 822 CB ASN A 56 -9.310 0.534 -5.365 1.00 0.00 C ATOM 823 CG ASN A 56 -9.753 -0.762 -6.013 1.00 0.00 C ATOM 824 OD1 ASN A 56 -8.960 -1.455 -6.649 1.00 0.00 O ATOM 825 ND2 ASN A 56 -11.029 -1.096 -5.854 1.00 0.00 N ATOM 0 H ASN A 56 -6.292 1.447 -5.126 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.568 0.404 -6.615 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.030 0.342 -4.329 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.147 1.232 -5.345 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.386 -1.957 -6.268 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.652 -0.491 -5.318 1.00 0.00 H new ATOM 832 N GLY A 57 -7.810 3.156 -7.459 1.00 0.00 N ATOM 833 CA GLY A 57 -8.195 4.161 -8.432 1.00 0.00 C ATOM 834 C GLY A 57 -9.352 5.018 -7.957 1.00 0.00 C ATOM 835 O GLY A 57 -10.105 5.558 -8.768 1.00 0.00 O ATOM 0 H GLY A 57 -6.874 3.271 -7.071 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.339 4.800 -8.647 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.470 3.671 -9.366 1.00 0.00 H new ATOM 839 N THR A 58 -9.496 5.142 -6.642 1.00 0.00 N ATOM 840 CA THR A 58 -10.571 5.940 -6.063 1.00 0.00 C ATOM 841 C THR A 58 -10.017 7.027 -5.145 1.00 0.00 C ATOM 842 O THR A 58 -10.712 7.512 -4.253 1.00 0.00 O ATOM 843 CB THR A 58 -11.537 5.045 -5.286 1.00 0.00 C ATOM 844 OG1 THR A 58 -11.770 3.835 -5.982 1.00 0.00 O ATOM 845 CG2 THR A 58 -12.881 5.694 -5.032 1.00 0.00 C ATOM 0 H THR A 58 -8.882 4.701 -5.957 1.00 0.00 H new ATOM 0 HA THR A 58 -11.108 6.422 -6.880 1.00 0.00 H new ATOM 0 HB THR A 58 -11.052 4.862 -4.327 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.389 3.276 -5.468 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.518 5.006 -4.477 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.741 6.606 -4.452 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.353 5.938 -5.984 1.00 0.00 H new ATOM 945 N HIS A 65 -10.671 4.258 9.241 1.00 0.00 N ATOM 946 CA HIS A 65 -9.917 3.055 8.908 1.00 0.00 C ATOM 947 C HIS A 65 -10.845 1.962 8.385 1.00 0.00 C ATOM 948 O HIS A 65 -10.519 1.261 7.425 1.00 0.00 O ATOM 949 CB HIS A 65 -9.154 2.552 10.133 1.00 0.00 C ATOM 950 CG HIS A 65 -8.039 1.612 9.798 1.00 0.00 C ATOM 951 ND1 HIS A 65 -7.898 1.019 8.561 1.00 0.00 N ATOM 952 CD2 HIS A 65 -7.007 1.159 10.548 1.00 0.00 C ATOM 953 CE1 HIS A 65 -6.830 0.243 8.564 1.00 0.00 C ATOM 954 NE2 HIS A 65 -6.271 0.311 9.759 1.00 0.00 N ATOM 0 HA HIS A 65 -9.203 3.306 8.124 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.748 3.407 10.674 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.851 2.051 10.805 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -8.522 1.158 7.767 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.801 1.417 11.576 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.474 -0.346 7.732 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -5.429 -0.186 10.048 1.00 0.00 H new ATOM 963 N LEU A 66 -12.005 1.824 9.022 1.00 0.00 N ATOM 964 CA LEU A 66 -12.983 0.820 8.619 1.00 0.00 C ATOM 965 C LEU A 66 -13.342 0.978 7.145 1.00 0.00 C ATOM 966 O LEU A 66 -13.426 -0.005 6.406 1.00 0.00 O ATOM 967 CB LEU A 66 -14.244 0.929 9.479 1.00 0.00 C ATOM 968 CG LEU A 66 -14.245 0.059 10.738 1.00 0.00 C ATOM 969 CD1 LEU A 66 -13.652 0.821 11.913 1.00 0.00 C ATOM 970 CD2 LEU A 66 -15.656 -0.409 11.061 1.00 0.00 C ATOM 0 H LEU A 66 -12.290 2.394 9.818 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.539 -0.165 8.765 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.375 1.970 9.775 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -15.106 0.660 8.869 1.00 0.00 H new ATOM 0 HG LEU A 66 -13.626 -0.819 10.551 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.661 0.187 12.800 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.626 1.106 11.681 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -14.244 1.717 12.102 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -15.638 -1.026 11.959 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.297 0.457 11.228 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -16.045 -0.993 10.227 1.00 0.00 H new ATOM 982 N GLU A 67 -13.537 2.223 6.720 1.00 0.00 N ATOM 983 CA GLU A 67 -13.872 2.506 5.332 1.00 0.00 C ATOM 984 C GLU A 67 -12.734 2.071 4.419 1.00 0.00 C ATOM 985 O GLU A 67 -12.959 1.450 3.380 1.00 0.00 O ATOM 986 CB GLU A 67 -14.156 3.998 5.143 1.00 0.00 C ATOM 987 CG GLU A 67 -14.926 4.314 3.871 1.00 0.00 C ATOM 988 CD GLU A 67 -16.128 5.203 4.121 1.00 0.00 C ATOM 989 OE1 GLU A 67 -17.149 4.693 4.627 1.00 0.00 O ATOM 990 OE2 GLU A 67 -16.050 6.410 3.809 1.00 0.00 O ATOM 0 H GLU A 67 -13.469 3.048 7.316 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.770 1.945 5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.721 4.363 6.000 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.211 4.541 5.130 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.260 4.802 3.160 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.257 3.383 3.411 1.00 0.00 H new ATOM 997 N VAL A 68 -11.508 2.386 4.825 1.00 0.00 N ATOM 998 CA VAL A 68 -10.333 2.012 4.052 1.00 0.00 C ATOM 999 C VAL A 68 -10.229 0.496 3.964 1.00 0.00 C ATOM 1000 O VAL A 68 -10.019 -0.064 2.886 1.00 0.00 O ATOM 1001 CB VAL A 68 -9.040 2.572 4.678 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -7.849 2.311 3.768 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -9.184 4.059 4.968 1.00 0.00 C ATOM 0 H VAL A 68 -11.304 2.898 5.683 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.446 2.438 3.055 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.865 2.058 5.623 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.946 2.713 4.227 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.733 1.237 3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.014 2.795 2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.261 4.435 5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.386 4.593 4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.009 4.216 5.663 1.00 0.00 H new ATOM 1013 N VAL A 69 -10.400 -0.166 5.105 1.00 0.00 N ATOM 1014 CA VAL A 69 -10.346 -1.620 5.156 1.00 0.00 C ATOM 1015 C VAL A 69 -11.442 -2.221 4.287 1.00 0.00 C ATOM 1016 O VAL A 69 -11.193 -3.127 3.492 1.00 0.00 O ATOM 1017 CB VAL A 69 -10.500 -2.141 6.598 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -10.299 -3.648 6.647 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -9.528 -1.436 7.530 1.00 0.00 C ATOM 0 H VAL A 69 -10.577 0.282 6.004 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.369 -1.923 4.780 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.513 -1.922 6.936 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -10.412 -3.997 7.673 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -11.041 -4.135 6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.300 -3.894 6.288 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.653 -1.818 8.543 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.507 -1.619 7.197 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.726 -0.364 7.520 1.00 0.00 H new ATOM 1029 N LYS A 70 -12.656 -1.697 4.433 1.00 0.00 N ATOM 1030 CA LYS A 70 -13.789 -2.172 3.649 1.00 0.00 C ATOM 1031 C LYS A 70 -13.541 -1.929 2.166 1.00 0.00 C ATOM 1032 O LYS A 70 -13.886 -2.756 1.323 1.00 0.00 O ATOM 1033 CB LYS A 70 -15.075 -1.469 4.091 1.00 0.00 C ATOM 1034 CG LYS A 70 -15.854 -2.236 5.147 1.00 0.00 C ATOM 1035 CD LYS A 70 -17.284 -1.730 5.260 1.00 0.00 C ATOM 1036 CE LYS A 70 -17.906 -2.116 6.593 1.00 0.00 C ATOM 1037 NZ LYS A 70 -18.477 -3.491 6.563 1.00 0.00 N ATOM 0 H LYS A 70 -12.879 -0.945 5.086 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.903 -3.243 3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.825 -0.482 4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.713 -1.315 3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.861 -3.297 4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.355 -2.139 6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -17.297 -0.646 5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.882 -2.140 4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.151 -2.053 7.377 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.690 -1.403 6.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.891 -3.715 7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -19.215 -3.545 5.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.724 -4.175 6.345 1.00 0.00 H new ATOM 1051 N LEU A 71 -12.931 -0.788 1.857 1.00 0.00 N ATOM 1052 CA LEU A 71 -12.626 -0.433 0.478 1.00 0.00 C ATOM 1053 C LEU A 71 -11.551 -1.358 -0.085 1.00 0.00 C ATOM 1054 O LEU A 71 -11.639 -1.804 -1.229 1.00 0.00 O ATOM 1055 CB LEU A 71 -12.163 1.022 0.393 1.00 0.00 C ATOM 1056 CG LEU A 71 -12.199 1.634 -1.009 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -12.131 3.150 -0.932 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -11.059 1.089 -1.856 1.00 0.00 C ATOM 0 H LEU A 71 -12.639 -0.094 2.545 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.533 -0.548 -0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.788 1.625 1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.144 1.086 0.774 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.142 1.358 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.158 3.567 -1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.981 3.524 -0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.205 3.448 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.099 1.534 -2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.107 1.335 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.153 0.006 -1.939 1.00 0.00 H new ATOM 1070 N ILE A 72 -10.539 -1.645 0.728 1.00 0.00 N ATOM 1071 CA ILE A 72 -9.452 -2.522 0.312 1.00 0.00 C ATOM 1072 C ILE A 72 -9.932 -3.966 0.204 1.00 0.00 C ATOM 1073 O ILE A 72 -9.500 -4.711 -0.675 1.00 0.00 O ATOM 1074 CB ILE A 72 -8.262 -2.454 1.292 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -7.752 -1.018 1.412 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -7.141 -3.381 0.841 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -7.163 -0.696 2.769 1.00 0.00 C ATOM 0 H ILE A 72 -10.450 -1.283 1.677 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.119 -2.176 -0.666 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.605 -2.784 2.273 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.996 -0.845 0.646 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.574 -0.331 1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.311 -3.318 1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.509 -4.406 0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.799 -3.083 -0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.822 0.339 2.781 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.923 -0.837 3.538 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.320 -1.358 2.966 1.00 0.00 H new ATOM 1089 N LYS A 73 -10.832 -4.355 1.103 1.00 0.00 N ATOM 1090 CA LYS A 73 -11.372 -5.710 1.106 1.00 0.00 C ATOM 1091 C LYS A 73 -12.322 -5.920 -0.069 1.00 0.00 C ATOM 1092 O LYS A 73 -12.488 -7.041 -0.551 1.00 0.00 O ATOM 1093 CB LYS A 73 -12.097 -5.991 2.424 1.00 0.00 C ATOM 1094 CG LYS A 73 -11.751 -7.340 3.033 1.00 0.00 C ATOM 1095 CD LYS A 73 -10.588 -7.228 4.008 1.00 0.00 C ATOM 1096 CE LYS A 73 -11.060 -7.303 5.452 1.00 0.00 C ATOM 1097 NZ LYS A 73 -10.800 -8.639 6.054 1.00 0.00 N ATOM 0 H LYS A 73 -11.202 -3.752 1.837 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.540 -6.406 1.004 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.852 -5.205 3.139 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.173 -5.943 2.255 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.623 -7.742 3.549 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.497 -8.044 2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.873 -8.028 3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.064 -6.286 3.844 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.555 -6.536 6.039 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.127 -7.087 5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.136 -8.648 7.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.303 -9.369 5.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.779 -8.835 6.036 1.00 0.00 H new ATOM 1111 N SER A 74 -12.944 -4.838 -0.526 1.00 0.00 N ATOM 1112 CA SER A 74 -13.877 -4.905 -1.644 1.00 0.00 C ATOM 1113 C SER A 74 -13.163 -5.329 -2.924 1.00 0.00 C ATOM 1114 O SER A 74 -12.828 -4.496 -3.766 1.00 0.00 O ATOM 1115 CB SER A 74 -14.558 -3.551 -1.850 1.00 0.00 C ATOM 1116 OG SER A 74 -15.823 -3.513 -1.213 1.00 0.00 O ATOM 0 H SER A 74 -12.818 -3.903 -0.138 1.00 0.00 H new ATOM 0 HA SER A 74 -14.635 -5.652 -1.408 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.924 -2.758 -1.454 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.679 -3.360 -2.916 1.00 0.00 H new ATOM 0 HG SER A 74 -16.236 -2.636 -1.358 1.00 0.00 H new ATOM 1122 N GLY A 75 -12.932 -6.631 -3.062 1.00 0.00 N ATOM 1123 CA GLY A 75 -12.260 -7.146 -4.241 1.00 0.00 C ATOM 1124 C GLY A 75 -11.026 -7.957 -3.895 1.00 0.00 C ATOM 1125 O GLY A 75 -10.342 -7.671 -2.913 1.00 0.00 O ATOM 0 H GLY A 75 -13.198 -7.339 -2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.953 -7.768 -4.808 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.976 -6.315 -4.886 1.00 0.00 H new ATOM 1129 N SER A 76 -10.741 -8.971 -4.707 1.00 0.00 N ATOM 1130 CA SER A 76 -9.581 -9.826 -4.482 1.00 0.00 C ATOM 1131 C SER A 76 -8.292 -9.010 -4.505 1.00 0.00 C ATOM 1132 O SER A 76 -7.565 -8.952 -3.513 1.00 0.00 O ATOM 1133 CB SER A 76 -9.521 -10.926 -5.542 1.00 0.00 C ATOM 1134 OG SER A 76 -10.585 -11.848 -5.382 1.00 0.00 O ATOM 0 H SER A 76 -11.297 -9.220 -5.525 1.00 0.00 H new ATOM 0 HA SER A 76 -9.682 -10.284 -3.498 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.568 -10.481 -6.536 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.568 -11.450 -5.473 1.00 0.00 H new ATOM 0 HG SER A 76 -10.525 -12.540 -6.073 1.00 0.00 H new ATOM 1140 N TYR A 77 -8.016 -8.381 -5.643 1.00 0.00 N ATOM 1141 CA TYR A 77 -6.815 -7.566 -5.796 1.00 0.00 C ATOM 1142 C TYR A 77 -7.178 -6.100 -6.000 1.00 0.00 C ATOM 1143 O TYR A 77 -7.990 -5.766 -6.863 1.00 0.00 O ATOM 1144 CB TYR A 77 -5.965 -8.066 -6.972 1.00 0.00 C ATOM 1145 CG TYR A 77 -6.720 -8.930 -7.957 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -6.955 -10.274 -7.693 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -7.199 -8.403 -9.151 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -7.644 -11.068 -8.589 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -7.888 -9.191 -10.052 1.00 0.00 C ATOM 1150 CZ TYR A 77 -8.108 -10.522 -9.768 1.00 0.00 C ATOM 1151 OH TYR A 77 -8.795 -11.309 -10.663 1.00 0.00 O ATOM 0 H TYR A 77 -8.608 -8.420 -6.473 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.231 -7.656 -4.880 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -5.554 -7.206 -7.500 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -5.121 -8.633 -6.581 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -6.593 -10.705 -6.771 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.030 -7.361 -9.378 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.819 -12.111 -8.368 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.253 -8.766 -10.975 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.053 -10.771 -11.441 1.00 0.00 H new ATOM 1161 N VAL A 78 -6.571 -5.229 -5.200 1.00 0.00 N ATOM 1162 CA VAL A 78 -6.831 -3.797 -5.292 1.00 0.00 C ATOM 1163 C VAL A 78 -5.595 -3.045 -5.780 1.00 0.00 C ATOM 1164 O VAL A 78 -4.472 -3.356 -5.388 1.00 0.00 O ATOM 1165 CB VAL A 78 -7.275 -3.220 -3.932 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -6.187 -3.409 -2.886 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -7.651 -1.750 -4.066 1.00 0.00 C ATOM 0 H VAL A 78 -5.896 -5.490 -4.481 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.638 -3.664 -6.013 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.159 -3.766 -3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.521 -2.995 -1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.979 -4.472 -2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.281 -2.896 -3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.961 -1.364 -3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.790 -1.185 -4.423 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.472 -1.648 -4.776 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.814 -2.053 -6.639 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.719 -1.257 -7.181 1.00 0.00 C ATOM 1179 C ALA A 79 -4.645 0.106 -6.501 1.00 0.00 C ATOM 1180 O ALA A 79 -5.422 1.009 -6.811 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.882 -1.092 -8.684 1.00 0.00 C ATOM 0 H ALA A 79 -6.739 -1.782 -6.974 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.785 -1.783 -6.984 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.058 -0.496 -9.076 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.879 -2.073 -9.160 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.826 -0.589 -8.895 1.00 0.00 H new ATOM 1187 N LEU A 80 -3.705 0.248 -5.571 1.00 0.00 N ATOM 1188 CA LEU A 80 -3.530 1.502 -4.847 1.00 0.00 C ATOM 1189 C LEU A 80 -2.191 2.147 -5.191 1.00 0.00 C ATOM 1190 O LEU A 80 -1.142 1.513 -5.088 1.00 0.00 O ATOM 1191 CB LEU A 80 -3.620 1.264 -3.337 1.00 0.00 C ATOM 1192 CG LEU A 80 -4.602 0.172 -2.908 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -3.875 -1.147 -2.698 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -5.338 0.584 -1.640 1.00 0.00 C ATOM 0 H LEU A 80 -3.054 -0.489 -5.302 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.329 2.179 -5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.628 1.005 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.907 2.198 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.335 0.037 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.589 -1.912 -2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.394 -1.450 -3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.119 -1.026 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.032 -0.205 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.618 0.747 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.891 1.505 -1.823 1.00 0.00 H new ATOM 1206 N THR A 81 -2.236 3.411 -5.600 1.00 0.00 N ATOM 1207 CA THR A 81 -1.026 4.142 -5.959 1.00 0.00 C ATOM 1208 C THR A 81 -0.201 4.466 -4.717 1.00 0.00 C ATOM 1209 O THR A 81 -0.622 5.256 -3.870 1.00 0.00 O ATOM 1210 CB THR A 81 -1.382 5.431 -6.699 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.191 5.152 -7.830 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.170 6.199 -7.180 1.00 0.00 C ATOM 0 H THR A 81 -3.097 3.950 -5.691 1.00 0.00 H new ATOM 0 HA THR A 81 -0.430 3.509 -6.617 1.00 0.00 H new ATOM 0 HB THR A 81 -1.915 6.044 -5.973 1.00 0.00 H new ATOM 0 HG1 THR A 81 -2.410 5.989 -8.290 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.493 7.103 -7.697 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.450 6.471 -6.326 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.407 5.577 -7.864 1.00 0.00 H new ATOM 1220 N VAL A 82 0.972 3.851 -4.615 1.00 0.00 N ATOM 1221 CA VAL A 82 1.855 4.074 -3.477 1.00 0.00 C ATOM 1222 C VAL A 82 3.137 4.782 -3.906 1.00 0.00 C ATOM 1223 O VAL A 82 3.510 4.757 -5.079 1.00 0.00 O ATOM 1224 CB VAL A 82 2.219 2.744 -2.784 1.00 0.00 C ATOM 1225 CG1 VAL A 82 2.971 1.828 -3.737 1.00 0.00 C ATOM 1226 CG2 VAL A 82 3.034 3.001 -1.524 1.00 0.00 C ATOM 0 H VAL A 82 1.333 3.194 -5.307 1.00 0.00 H new ATOM 0 HA VAL A 82 1.315 4.707 -2.773 1.00 0.00 H new ATOM 0 HB VAL A 82 1.294 2.245 -2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.218 0.896 -3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.346 1.613 -4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.889 2.317 -4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.281 2.051 -1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.953 3.525 -1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.453 3.611 -0.833 1.00 0.00 H new ATOM 1236 N GLN A 83 3.807 5.413 -2.948 1.00 0.00 N ATOM 1237 CA GLN A 83 5.048 6.128 -3.224 1.00 0.00 C ATOM 1238 C GLN A 83 6.123 5.764 -2.204 1.00 0.00 C ATOM 1239 O GLN A 83 5.827 5.547 -1.029 1.00 0.00 O ATOM 1240 CB GLN A 83 4.805 7.638 -3.210 1.00 0.00 C ATOM 1241 CG GLN A 83 6.049 8.457 -3.517 1.00 0.00 C ATOM 1242 CD GLN A 83 5.737 9.921 -3.756 1.00 0.00 C ATOM 1243 OE1 GLN A 83 5.038 10.556 -2.968 1.00 0.00 O ATOM 1244 NE2 GLN A 83 6.257 10.465 -4.852 1.00 0.00 N ATOM 0 H GLN A 83 3.511 5.444 -1.972 1.00 0.00 H new ATOM 0 HA GLN A 83 5.396 5.833 -4.214 1.00 0.00 H new ATOM 0 HB2 GLN A 83 4.032 7.880 -3.939 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.422 7.927 -2.231 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.751 8.369 -2.688 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.542 8.046 -4.398 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.831 9.901 -5.478 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.082 11.447 -5.067 1.00 0.00 H new ATOM 1253 N GLY A 84 7.369 5.700 -2.660 1.00 0.00 N ATOM 1254 CA GLY A 84 8.466 5.362 -1.773 1.00 0.00 C ATOM 1255 C GLY A 84 9.610 6.352 -1.862 1.00 0.00 C ATOM 1256 O GLY A 84 10.197 6.540 -2.927 1.00 0.00 O ATOM 0 H GLY A 84 7.639 5.876 -3.628 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.101 5.325 -0.747 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.833 4.365 -2.017 1.00 0.00 H new