USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 474 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 7 THR OG1 : rot -85:sc= -5.19! USER MOD Single : A 15 LYS NZ :NH3+ -109:sc= -1.74! (180deg=-3.72!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -113:sc= -4.16! (180deg=-10.3!) USER MOD Single : A 48 MET CE :methyl 138:sc= -4.4! (180deg=-7.3!) USER MOD Single : A 52 ASN : amide:sc= -0.323 K(o=-0.32,f=-2.6!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.282 USER MOD Single : A 60 MET CE :methyl 147:sc= -0.611 (180deg=-2.38!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 106:sc= 1.22 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 177:sc= -5.39! (180deg=-5.48!) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 7 -6.013 9.738 -5.579 1.00 0.00 N ATOM 110 CA THR A 7 -5.460 8.409 -5.204 1.00 0.00 C ATOM 111 C THR A 7 -6.261 7.819 -4.034 1.00 0.00 C ATOM 112 O THR A 7 -6.706 8.541 -3.164 1.00 0.00 O ATOM 113 CB THR A 7 -3.997 8.572 -4.782 1.00 0.00 C ATOM 114 OG1 THR A 7 -3.554 7.380 -4.151 1.00 0.00 O ATOM 115 CG2 THR A 7 -3.872 9.744 -3.808 1.00 0.00 C ATOM 0 HA THR A 7 -5.528 7.738 -6.060 1.00 0.00 H new ATOM 0 HB THR A 7 -3.384 8.768 -5.662 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.795 7.404 -3.201 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.830 9.859 -3.509 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.213 10.658 -4.293 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.484 9.551 -2.927 1.00 0.00 H new ATOM 123 N PRO A 8 -6.407 6.517 -4.046 1.00 0.00 N ATOM 124 CA PRO A 8 -7.134 5.783 -2.990 1.00 0.00 C ATOM 125 C PRO A 8 -6.251 5.653 -1.742 1.00 0.00 C ATOM 126 O PRO A 8 -5.116 6.089 -1.749 1.00 0.00 O ATOM 127 CB PRO A 8 -7.403 4.416 -3.633 1.00 0.00 C ATOM 128 CG PRO A 8 -6.362 4.244 -4.762 1.00 0.00 C ATOM 129 CD PRO A 8 -5.858 5.654 -5.115 1.00 0.00 C ATOM 0 HA PRO A 8 -8.050 6.274 -2.661 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.311 3.617 -2.897 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.417 4.368 -4.031 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.538 3.609 -4.436 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.810 3.764 -5.632 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.769 5.693 -5.138 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.209 5.967 -6.098 1.00 0.00 H new ATOM 137 N PRO A 9 -6.793 5.060 -0.708 1.00 0.00 N ATOM 138 CA PRO A 9 -6.061 4.865 0.557 1.00 0.00 C ATOM 139 C PRO A 9 -4.986 3.784 0.396 1.00 0.00 C ATOM 140 O PRO A 9 -5.121 2.864 -0.387 1.00 0.00 O ATOM 141 CB PRO A 9 -7.152 4.462 1.554 1.00 0.00 C ATOM 142 CG PRO A 9 -8.334 3.929 0.713 1.00 0.00 C ATOM 143 CD PRO A 9 -8.171 4.523 -0.699 1.00 0.00 C ATOM 0 HA PRO A 9 -5.522 5.753 0.888 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.788 3.698 2.241 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.459 5.315 2.160 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.325 2.840 0.679 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.287 4.226 1.151 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.308 3.764 -1.469 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.905 5.306 -0.889 1.00 0.00 H new ATOM 151 N ALA A 10 -3.902 3.915 1.111 1.00 0.00 N ATOM 152 CA ALA A 10 -2.783 2.936 0.995 1.00 0.00 C ATOM 153 C ALA A 10 -3.262 1.500 1.230 1.00 0.00 C ATOM 154 O ALA A 10 -3.352 0.713 0.309 1.00 0.00 O ATOM 155 CB ALA A 10 -1.708 3.282 2.028 1.00 0.00 C ATOM 0 H ALA A 10 -3.742 4.669 1.779 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.381 2.997 -0.016 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.886 2.571 1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.335 4.289 1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.136 3.233 3.029 1.00 0.00 H new ATOM 161 N ALA A 11 -3.532 1.143 2.458 1.00 0.00 N ATOM 162 CA ALA A 11 -3.965 -0.255 2.758 1.00 0.00 C ATOM 163 C ALA A 11 -4.912 -0.769 1.670 1.00 0.00 C ATOM 164 O ALA A 11 -4.961 -1.951 1.391 1.00 0.00 O ATOM 165 CB ALA A 11 -4.672 -0.297 4.113 1.00 0.00 C ATOM 0 H ALA A 11 -3.471 1.760 3.268 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.082 -0.894 2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.986 -1.318 4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.989 0.044 4.891 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.546 0.354 4.088 1.00 0.00 H new ATOM 171 N VAL A 12 -5.658 0.098 1.046 1.00 0.00 N ATOM 172 CA VAL A 12 -6.583 -0.363 -0.025 1.00 0.00 C ATOM 173 C VAL A 12 -5.801 -0.503 -1.330 1.00 0.00 C ATOM 174 O VAL A 12 -5.670 -1.580 -1.877 1.00 0.00 O ATOM 175 CB VAL A 12 -7.709 0.653 -0.207 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.485 0.332 -1.485 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.657 0.582 0.992 1.00 0.00 C ATOM 0 H VAL A 12 -5.668 1.101 1.230 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.015 -1.325 0.251 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.285 1.655 -0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.288 1.057 -1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.812 0.379 -2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.909 -0.670 -1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.461 1.307 0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.080 -0.420 1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.107 0.809 1.905 1.00 0.00 H new ATOM 187 N LEU A 13 -5.270 0.579 -1.831 1.00 0.00 N ATOM 188 CA LEU A 13 -4.488 0.508 -3.096 1.00 0.00 C ATOM 189 C LEU A 13 -3.453 -0.606 -2.982 1.00 0.00 C ATOM 190 O LEU A 13 -3.118 -1.264 -3.948 1.00 0.00 O ATOM 191 CB LEU A 13 -3.777 1.837 -3.326 1.00 0.00 C ATOM 192 CG LEU A 13 -3.153 1.855 -4.720 1.00 0.00 C ATOM 193 CD1 LEU A 13 -3.195 3.280 -5.276 1.00 0.00 C ATOM 194 CD2 LEU A 13 -1.701 1.385 -4.630 1.00 0.00 C ATOM 0 H LEU A 13 -5.344 1.509 -1.418 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.158 0.304 -3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.484 2.661 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.005 1.983 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.711 1.191 -5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.750 3.296 -6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.230 3.617 -5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.635 3.944 -4.618 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.253 1.397 -5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.143 2.051 -3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.671 0.371 -4.230 1.00 0.00 H new ATOM 206 N LEU A 14 -2.948 -0.823 -1.804 1.00 0.00 N ATOM 207 CA LEU A 14 -1.936 -1.897 -1.614 1.00 0.00 C ATOM 208 C LEU A 14 -2.616 -3.247 -1.830 1.00 0.00 C ATOM 209 O LEU A 14 -2.250 -4.004 -2.706 1.00 0.00 O ATOM 210 CB LEU A 14 -1.366 -1.822 -0.197 1.00 0.00 C ATOM 211 CG LEU A 14 -0.106 -0.956 -0.202 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.490 0.506 -0.445 1.00 0.00 C ATOM 213 CD2 LEU A 14 0.604 -1.080 1.148 1.00 0.00 C ATOM 0 H LEU A 14 -3.192 -0.303 -0.961 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.120 -1.774 -2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.107 -1.402 0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.131 -2.823 0.166 1.00 0.00 H new ATOM 0 HG LEU A 14 0.561 -1.292 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.409 1.123 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.994 0.595 -1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.158 0.843 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.502 -0.463 1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.063 -0.745 1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.879 -2.121 1.320 1.00 0.00 H new ATOM 225 N LYS A 15 -3.620 -3.549 -1.050 1.00 0.00 N ATOM 226 CA LYS A 15 -4.331 -4.841 -1.237 1.00 0.00 C ATOM 227 C LYS A 15 -4.820 -4.905 -2.683 1.00 0.00 C ATOM 228 O LYS A 15 -5.059 -5.961 -3.233 1.00 0.00 O ATOM 229 CB LYS A 15 -5.527 -4.912 -0.285 1.00 0.00 C ATOM 230 CG LYS A 15 -5.350 -6.093 0.671 1.00 0.00 C ATOM 231 CD LYS A 15 -6.277 -7.234 0.248 1.00 0.00 C ATOM 232 CE LYS A 15 -7.732 -6.788 0.394 1.00 0.00 C ATOM 233 NZ LYS A 15 -8.253 -6.353 -0.933 1.00 0.00 N ATOM 0 H LYS A 15 -3.975 -2.959 -0.297 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.664 -5.677 -1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.612 -3.983 0.279 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.451 -5.025 -0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.313 -6.430 0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.576 -5.786 1.692 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.074 -7.518 -0.785 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.092 -8.115 0.863 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.337 -7.606 0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.803 -5.970 1.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.374 -5.320 -0.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.579 -6.625 -1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.170 -6.810 -1.113 1.00 0.00 H new ATOM 247 N LYS A 16 -4.965 -3.773 -3.302 1.00 0.00 N ATOM 248 CA LYS A 16 -5.421 -3.751 -4.713 1.00 0.00 C ATOM 249 C LYS A 16 -4.281 -4.202 -5.620 1.00 0.00 C ATOM 250 O LYS A 16 -4.269 -5.299 -6.141 1.00 0.00 O ATOM 251 CB LYS A 16 -5.843 -2.330 -5.090 1.00 0.00 C ATOM 252 CG LYS A 16 -7.365 -2.203 -4.994 1.00 0.00 C ATOM 253 CD LYS A 16 -7.892 -1.471 -6.229 1.00 0.00 C ATOM 254 CE LYS A 16 -8.702 -2.439 -7.091 1.00 0.00 C ATOM 255 NZ LYS A 16 -10.127 -2.006 -7.120 1.00 0.00 N ATOM 0 H LYS A 16 -4.786 -2.857 -2.889 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.270 -4.425 -4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.365 -1.610 -4.426 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.512 -2.098 -6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.820 -3.191 -4.922 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.639 -1.659 -4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.514 -0.629 -5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.061 -1.063 -6.805 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.299 -2.466 -8.103 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.626 -3.450 -6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.678 -2.665 -7.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.508 -2.002 -6.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.191 -1.049 -7.521 1.00 0.00 H new ATOM 269 N ALA A 17 -3.331 -3.340 -5.816 1.00 0.00 N ATOM 270 CA ALA A 17 -2.172 -3.665 -6.699 1.00 0.00 C ATOM 271 C ALA A 17 -1.328 -4.804 -6.108 1.00 0.00 C ATOM 272 O ALA A 17 -1.172 -5.848 -6.712 1.00 0.00 O ATOM 273 CB ALA A 17 -1.295 -2.420 -6.853 1.00 0.00 C ATOM 0 H ALA A 17 -3.303 -2.410 -5.399 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.555 -3.985 -7.668 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.446 -2.650 -7.497 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.880 -1.615 -7.298 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.933 -2.107 -5.874 1.00 0.00 H new ATOM 279 N ALA A 18 -0.759 -4.602 -4.950 1.00 0.00 N ATOM 280 CA ALA A 18 0.104 -5.659 -4.340 1.00 0.00 C ATOM 281 C ALA A 18 -0.749 -6.786 -3.755 1.00 0.00 C ATOM 282 O ALA A 18 -0.257 -7.863 -3.484 1.00 0.00 O ATOM 283 CB ALA A 18 0.952 -5.042 -3.228 1.00 0.00 C ATOM 0 H ALA A 18 -0.854 -3.750 -4.398 1.00 0.00 H new ATOM 0 HA ALA A 18 0.746 -6.073 -5.117 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.582 -5.811 -2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.580 -4.254 -3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.299 -4.620 -2.464 1.00 0.00 H new ATOM 289 N GLY A 19 -2.016 -6.559 -3.557 1.00 0.00 N ATOM 290 CA GLY A 19 -2.873 -7.638 -2.990 1.00 0.00 C ATOM 291 C GLY A 19 -3.419 -8.506 -4.125 1.00 0.00 C ATOM 292 O GLY A 19 -4.442 -9.145 -3.992 1.00 0.00 O ATOM 0 H GLY A 19 -2.493 -5.681 -3.761 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.295 -8.249 -2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.696 -7.203 -2.423 1.00 0.00 H new ATOM 447 N LYS A 31 -0.531 -12.204 5.446 1.00 0.00 N ATOM 448 CA LYS A 31 0.614 -12.903 4.798 1.00 0.00 C ATOM 449 C LYS A 31 0.142 -13.555 3.499 1.00 0.00 C ATOM 450 O LYS A 31 0.244 -14.753 3.320 1.00 0.00 O ATOM 451 CB LYS A 31 1.152 -13.981 5.739 1.00 0.00 C ATOM 452 CG LYS A 31 2.432 -13.479 6.412 1.00 0.00 C ATOM 453 CD LYS A 31 3.583 -14.435 6.094 1.00 0.00 C ATOM 454 CE LYS A 31 3.226 -15.842 6.576 1.00 0.00 C ATOM 455 NZ LYS A 31 4.189 -16.265 7.631 1.00 0.00 N ATOM 0 HA LYS A 31 1.403 -12.183 4.580 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.404 -14.227 6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.356 -14.896 5.182 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.671 -12.475 6.061 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.287 -13.413 7.490 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.776 -14.445 5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.498 -14.094 6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.210 -15.856 6.970 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.254 -16.542 5.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.947 -17.222 7.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.153 -16.267 7.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.141 -15.602 8.431 1.00 0.00 H new ATOM 469 N VAL A 32 -0.380 -12.777 2.591 1.00 0.00 N ATOM 470 CA VAL A 32 -0.861 -13.355 1.306 1.00 0.00 C ATOM 471 C VAL A 32 -0.205 -12.625 0.133 1.00 0.00 C ATOM 472 O VAL A 32 -0.553 -12.838 -1.012 1.00 0.00 O ATOM 473 CB VAL A 32 -2.379 -13.207 1.215 1.00 0.00 C ATOM 474 CG1 VAL A 32 -3.035 -13.956 2.376 1.00 0.00 C ATOM 475 CG2 VAL A 32 -2.754 -11.724 1.292 1.00 0.00 C ATOM 0 H VAL A 32 -0.494 -11.768 2.684 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.596 -14.411 1.266 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.727 -13.622 0.269 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.118 -13.851 2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.769 -15.012 2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.686 -13.540 3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.837 -11.619 1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.405 -11.309 2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.287 -11.187 0.466 1.00 0.00 H new ATOM 485 N ALA A 33 0.739 -11.764 0.402 1.00 0.00 N ATOM 486 CA ALA A 33 1.404 -11.031 -0.712 1.00 0.00 C ATOM 487 C ALA A 33 2.718 -10.417 -0.224 1.00 0.00 C ATOM 488 O ALA A 33 2.731 -9.506 0.579 1.00 0.00 O ATOM 489 CB ALA A 33 0.480 -9.920 -1.211 1.00 0.00 C ATOM 0 H ALA A 33 1.076 -11.538 1.338 1.00 0.00 H new ATOM 0 HA ALA A 33 1.614 -11.728 -1.523 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.965 -9.382 -2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.453 -10.356 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.269 -9.229 -0.395 1.00 0.00 H new ATOM 495 N THR A 34 3.826 -10.904 -0.717 1.00 0.00 N ATOM 496 CA THR A 34 5.140 -10.343 -0.297 1.00 0.00 C ATOM 497 C THR A 34 5.792 -9.652 -1.494 1.00 0.00 C ATOM 498 O THR A 34 6.392 -10.287 -2.339 1.00 0.00 O ATOM 499 CB THR A 34 6.048 -11.470 0.202 1.00 0.00 C ATOM 500 OG1 THR A 34 5.266 -12.626 0.467 1.00 0.00 O ATOM 501 CG2 THR A 34 6.755 -11.022 1.483 1.00 0.00 C ATOM 0 H THR A 34 3.876 -11.666 -1.393 1.00 0.00 H new ATOM 0 HA THR A 34 4.990 -9.624 0.508 1.00 0.00 H new ATOM 0 HB THR A 34 6.792 -11.705 -0.559 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.847 -13.348 0.785 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.402 -11.823 1.840 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.355 -10.136 1.277 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.012 -10.788 2.246 1.00 0.00 H new ATOM 509 N ILE A 35 5.677 -8.355 -1.577 1.00 0.00 N ATOM 510 CA ILE A 35 6.285 -7.626 -2.725 1.00 0.00 C ATOM 511 C ILE A 35 7.587 -6.972 -2.283 1.00 0.00 C ATOM 512 O ILE A 35 7.820 -6.757 -1.114 1.00 0.00 O ATOM 513 CB ILE A 35 5.329 -6.536 -3.208 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.719 -5.828 -1.996 1.00 0.00 C ATOM 515 CG2 ILE A 35 4.216 -7.166 -4.044 1.00 0.00 C ATOM 516 CD1 ILE A 35 3.992 -4.563 -2.452 1.00 0.00 C ATOM 0 H ILE A 35 5.189 -7.769 -0.900 1.00 0.00 H new ATOM 0 HA ILE A 35 6.478 -8.333 -3.531 1.00 0.00 H new ATOM 0 HB ILE A 35 5.874 -5.815 -3.818 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.024 -6.494 -1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.500 -5.572 -1.280 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.535 -6.388 -4.388 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.651 -7.674 -4.905 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.668 -7.886 -3.436 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.559 -4.061 -1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.699 -3.894 -2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.200 -4.831 -3.151 1.00 0.00 H new ATOM 528 N LYS A 36 8.435 -6.636 -3.208 1.00 0.00 N ATOM 529 CA LYS A 36 9.708 -5.977 -2.826 1.00 0.00 C ATOM 530 C LYS A 36 9.463 -4.471 -2.716 1.00 0.00 C ATOM 531 O LYS A 36 8.336 -4.020 -2.683 1.00 0.00 O ATOM 532 CB LYS A 36 10.766 -6.256 -3.895 1.00 0.00 C ATOM 533 CG LYS A 36 11.513 -7.548 -3.555 1.00 0.00 C ATOM 534 CD LYS A 36 11.264 -8.584 -4.654 1.00 0.00 C ATOM 535 CE LYS A 36 12.211 -9.771 -4.463 1.00 0.00 C ATOM 536 NZ LYS A 36 12.516 -10.382 -5.788 1.00 0.00 N ATOM 0 H LYS A 36 8.303 -6.788 -4.208 1.00 0.00 H new ATOM 0 HA LYS A 36 10.061 -6.364 -1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.294 -6.344 -4.874 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.467 -5.423 -3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.581 -7.350 -3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.175 -7.934 -2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.228 -8.923 -4.621 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.421 -8.134 -5.634 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.132 -9.441 -3.982 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.755 -10.511 -3.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.160 -11.189 -5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.634 -10.710 -6.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.968 -9.674 -6.401 1.00 0.00 H new ATOM 550 N ARG A 37 10.502 -3.686 -2.659 1.00 0.00 N ATOM 551 CA ARG A 37 10.307 -2.215 -2.556 1.00 0.00 C ATOM 552 C ARG A 37 9.828 -1.674 -3.901 1.00 0.00 C ATOM 553 O ARG A 37 9.325 -0.573 -3.997 1.00 0.00 O ATOM 554 CB ARG A 37 11.632 -1.548 -2.174 1.00 0.00 C ATOM 555 CG ARG A 37 12.579 -1.566 -3.377 1.00 0.00 C ATOM 556 CD ARG A 37 13.940 -2.119 -2.951 1.00 0.00 C ATOM 557 NE ARG A 37 14.300 -1.578 -1.609 1.00 0.00 N ATOM 558 CZ ARG A 37 14.479 -0.296 -1.446 1.00 0.00 C ATOM 559 NH1 ARG A 37 15.166 0.384 -2.323 1.00 0.00 N ATOM 560 NH2 ARG A 37 13.973 0.307 -0.406 1.00 0.00 N ATOM 0 H ARG A 37 11.473 -3.998 -2.679 1.00 0.00 H new ATOM 0 HA ARG A 37 9.562 -1.998 -1.791 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.455 -0.522 -1.852 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.086 -2.072 -1.333 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.159 -2.180 -4.174 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.694 -0.559 -3.777 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.908 -3.208 -2.919 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.701 -1.844 -3.682 1.00 0.00 H new ATOM 0 HE ARG A 37 14.407 -2.212 -0.817 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.563 -0.087 -3.136 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.306 1.386 -2.195 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.437 -0.224 0.281 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.113 1.309 -0.279 1.00 0.00 H new ATOM 574 N ASP A 38 9.985 -2.445 -4.939 1.00 0.00 N ATOM 575 CA ASP A 38 9.548 -1.995 -6.293 1.00 0.00 C ATOM 576 C ASP A 38 8.039 -1.732 -6.303 1.00 0.00 C ATOM 577 O ASP A 38 7.561 -0.842 -6.978 1.00 0.00 O ATOM 578 CB ASP A 38 9.880 -3.078 -7.321 1.00 0.00 C ATOM 579 CG ASP A 38 9.668 -2.524 -8.731 1.00 0.00 C ATOM 580 OD1 ASP A 38 8.529 -2.249 -9.073 1.00 0.00 O ATOM 581 OD2 ASP A 38 10.647 -2.384 -9.446 1.00 0.00 O ATOM 0 H ASP A 38 10.401 -3.376 -4.909 1.00 0.00 H new ATOM 0 HA ASP A 38 10.071 -1.073 -6.545 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.912 -3.406 -7.199 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.247 -3.951 -7.163 1.00 0.00 H new ATOM 586 N LYS A 39 7.281 -2.504 -5.569 1.00 0.00 N ATOM 587 CA LYS A 39 5.805 -2.298 -5.553 1.00 0.00 C ATOM 588 C LYS A 39 5.458 -1.167 -4.595 1.00 0.00 C ATOM 589 O LYS A 39 4.766 -0.231 -4.947 1.00 0.00 O ATOM 590 CB LYS A 39 5.139 -3.565 -5.056 1.00 0.00 C ATOM 591 CG LYS A 39 4.816 -4.482 -6.237 1.00 0.00 C ATOM 592 CD LYS A 39 3.321 -4.408 -6.550 1.00 0.00 C ATOM 593 CE LYS A 39 2.939 -5.549 -7.494 1.00 0.00 C ATOM 594 NZ LYS A 39 2.297 -4.990 -8.718 1.00 0.00 N ATOM 0 H LYS A 39 7.620 -3.266 -4.982 1.00 0.00 H new ATOM 0 HA LYS A 39 5.462 -2.052 -6.558 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.795 -4.080 -4.354 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.225 -3.318 -4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.396 -4.184 -7.111 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.098 -5.508 -6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.742 -4.475 -5.629 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.082 -3.448 -7.008 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.825 -6.122 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.256 -6.235 -6.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.038 -5.766 -9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.442 -4.461 -8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.963 -4.352 -9.199 1.00 0.00 H new ATOM 608 N VAL A 40 5.940 -1.235 -3.388 1.00 0.00 N ATOM 609 CA VAL A 40 5.643 -0.149 -2.425 1.00 0.00 C ATOM 610 C VAL A 40 6.291 1.124 -2.955 1.00 0.00 C ATOM 611 O VAL A 40 5.976 2.220 -2.541 1.00 0.00 O ATOM 612 CB VAL A 40 6.226 -0.501 -1.054 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.894 0.608 -0.056 1.00 0.00 C ATOM 614 CG2 VAL A 40 5.621 -1.822 -0.570 1.00 0.00 C ATOM 0 H VAL A 40 6.523 -1.992 -3.031 1.00 0.00 H new ATOM 0 HA VAL A 40 4.567 -0.013 -2.316 1.00 0.00 H new ATOM 0 HB VAL A 40 7.308 -0.602 -1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.310 0.356 0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.323 1.549 -0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.812 0.711 0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.034 -2.075 0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.539 -1.719 -0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.859 -2.613 -1.281 1.00 0.00 H new ATOM 624 N ARG A 41 7.183 0.978 -3.901 1.00 0.00 N ATOM 625 CA ARG A 41 7.837 2.177 -4.496 1.00 0.00 C ATOM 626 C ARG A 41 6.835 2.871 -5.412 1.00 0.00 C ATOM 627 O ARG A 41 6.462 4.009 -5.204 1.00 0.00 O ATOM 628 CB ARG A 41 9.056 1.754 -5.319 1.00 0.00 C ATOM 629 CG ARG A 41 10.330 1.983 -4.503 1.00 0.00 C ATOM 630 CD ARG A 41 11.163 3.084 -5.164 1.00 0.00 C ATOM 631 NE ARG A 41 12.606 2.719 -5.107 1.00 0.00 N ATOM 632 CZ ARG A 41 13.220 2.315 -6.186 1.00 0.00 C ATOM 633 NH1 ARG A 41 13.385 3.133 -7.189 1.00 0.00 N ATOM 634 NH2 ARG A 41 13.668 1.092 -6.261 1.00 0.00 N ATOM 0 H ARG A 41 7.485 0.082 -4.285 1.00 0.00 H new ATOM 0 HA ARG A 41 8.159 2.850 -3.701 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.973 0.703 -5.596 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.098 2.326 -6.246 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.075 2.267 -3.482 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.908 1.061 -4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.852 3.218 -6.200 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.997 4.034 -4.656 1.00 0.00 H new ATOM 0 HE ARG A 41 13.114 2.785 -4.225 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.034 4.089 -7.130 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.865 2.817 -8.032 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.538 0.452 -5.477 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.148 0.775 -7.104 1.00 0.00 H new ATOM 648 N GLU A 42 6.385 2.177 -6.421 1.00 0.00 N ATOM 649 CA GLU A 42 5.392 2.766 -7.357 1.00 0.00 C ATOM 650 C GLU A 42 4.131 3.104 -6.571 1.00 0.00 C ATOM 651 O GLU A 42 3.576 4.178 -6.684 1.00 0.00 O ATOM 652 CB GLU A 42 5.061 1.745 -8.449 1.00 0.00 C ATOM 653 CG GLU A 42 6.295 1.523 -9.326 1.00 0.00 C ATOM 654 CD GLU A 42 6.188 0.166 -10.023 1.00 0.00 C ATOM 655 OE1 GLU A 42 5.800 -0.786 -9.365 1.00 0.00 O ATOM 656 OE2 GLU A 42 6.496 0.101 -11.201 1.00 0.00 O ATOM 0 H GLU A 42 6.666 1.221 -6.637 1.00 0.00 H new ATOM 0 HA GLU A 42 5.794 3.667 -7.820 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.747 0.803 -7.999 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.229 2.102 -9.056 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.376 2.319 -10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.198 1.561 -8.717 1.00 0.00 H new ATOM 663 N ILE A 43 3.691 2.185 -5.766 1.00 0.00 N ATOM 664 CA ILE A 43 2.476 2.417 -4.946 1.00 0.00 C ATOM 665 C ILE A 43 2.567 3.797 -4.292 1.00 0.00 C ATOM 666 O ILE A 43 1.726 4.647 -4.499 1.00 0.00 O ATOM 667 CB ILE A 43 2.402 1.328 -3.874 1.00 0.00 C ATOM 668 CG1 ILE A 43 1.891 0.033 -4.509 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.453 1.752 -2.750 1.00 0.00 C ATOM 670 CD1 ILE A 43 1.787 -1.054 -3.437 1.00 0.00 C ATOM 0 H ILE A 43 4.127 1.271 -5.639 1.00 0.00 H new ATOM 0 HA ILE A 43 1.581 2.380 -5.567 1.00 0.00 H new ATOM 0 HB ILE A 43 3.396 1.172 -3.455 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.917 0.200 -4.968 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.567 -0.287 -5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.410 0.967 -1.995 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.816 2.674 -2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.456 1.917 -3.158 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.423 -1.977 -3.889 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.770 -1.228 -2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.094 -0.733 -2.659 1.00 0.00 H new ATOM 682 N ALA A 44 3.583 4.030 -3.510 1.00 0.00 N ATOM 683 CA ALA A 44 3.716 5.359 -2.856 1.00 0.00 C ATOM 684 C ALA A 44 3.797 6.440 -3.934 1.00 0.00 C ATOM 685 O ALA A 44 3.291 7.533 -3.772 1.00 0.00 O ATOM 686 CB ALA A 44 4.988 5.387 -2.006 1.00 0.00 C ATOM 0 H ALA A 44 4.323 3.361 -3.297 1.00 0.00 H new ATOM 0 HA ALA A 44 2.853 5.542 -2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.084 6.361 -1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.932 4.611 -1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.855 5.208 -2.642 1.00 0.00 H new ATOM 692 N GLU A 45 4.424 6.139 -5.039 1.00 0.00 N ATOM 693 CA GLU A 45 4.531 7.145 -6.131 1.00 0.00 C ATOM 694 C GLU A 45 3.132 7.540 -6.592 1.00 0.00 C ATOM 695 O GLU A 45 2.838 8.699 -6.810 1.00 0.00 O ATOM 696 CB GLU A 45 5.306 6.545 -7.308 1.00 0.00 C ATOM 697 CG GLU A 45 6.807 6.725 -7.078 1.00 0.00 C ATOM 698 CD GLU A 45 7.229 8.124 -7.527 1.00 0.00 C ATOM 699 OE1 GLU A 45 6.353 8.908 -7.859 1.00 0.00 O ATOM 700 OE2 GLU A 45 8.420 8.390 -7.533 1.00 0.00 O ATOM 0 H GLU A 45 4.866 5.240 -5.231 1.00 0.00 H new ATOM 0 HA GLU A 45 5.057 8.026 -5.764 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.068 5.486 -7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.009 7.031 -8.238 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.043 6.584 -6.023 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.364 5.970 -7.633 1.00 0.00 H new ATOM 707 N LEU A 46 2.267 6.580 -6.742 1.00 0.00 N ATOM 708 CA LEU A 46 0.878 6.888 -7.188 1.00 0.00 C ATOM 709 C LEU A 46 0.165 7.699 -6.108 1.00 0.00 C ATOM 710 O LEU A 46 -0.291 8.799 -6.343 1.00 0.00 O ATOM 711 CB LEU A 46 0.113 5.586 -7.424 1.00 0.00 C ATOM 712 CG LEU A 46 -0.348 5.521 -8.879 1.00 0.00 C ATOM 713 CD1 LEU A 46 -1.287 6.695 -9.168 1.00 0.00 C ATOM 714 CD2 LEU A 46 0.870 5.603 -9.803 1.00 0.00 C ATOM 0 H LEU A 46 2.460 5.592 -6.575 1.00 0.00 H new ATOM 0 HA LEU A 46 0.917 7.461 -8.114 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.750 4.731 -7.195 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.747 5.531 -6.756 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.874 4.582 -9.053 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.617 6.650 -10.206 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.153 6.639 -8.509 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.760 7.633 -8.995 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.543 5.557 -10.842 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.396 6.542 -9.630 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.540 4.769 -9.596 1.00 0.00 H new ATOM 726 N LYS A 47 0.053 7.154 -4.928 1.00 0.00 N ATOM 727 CA LYS A 47 -0.636 7.876 -3.822 1.00 0.00 C ATOM 728 C LYS A 47 0.299 8.915 -3.186 1.00 0.00 C ATOM 729 O LYS A 47 0.037 9.411 -2.111 1.00 0.00 O ATOM 730 CB LYS A 47 -1.067 6.867 -2.757 1.00 0.00 C ATOM 731 CG LYS A 47 -1.767 5.683 -3.429 1.00 0.00 C ATOM 732 CD LYS A 47 -1.046 4.377 -3.083 1.00 0.00 C ATOM 733 CE LYS A 47 -0.712 4.340 -1.591 1.00 0.00 C ATOM 734 NZ LYS A 47 0.750 4.563 -1.405 1.00 0.00 N ATOM 0 H LYS A 47 0.412 6.232 -4.681 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.506 8.392 -4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.199 6.520 -2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.738 7.342 -2.042 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.805 5.631 -3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.780 5.824 -4.510 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.674 3.525 -3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.132 4.291 -3.670 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.278 5.106 -1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.001 3.379 -1.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.189 3.695 -1.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.183 4.809 -2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.900 5.340 -0.730 1.00 0.00 H new ATOM 748 N MET A 48 1.393 9.244 -3.822 1.00 0.00 N ATOM 749 CA MET A 48 2.333 10.237 -3.218 1.00 0.00 C ATOM 750 C MET A 48 1.708 11.639 -3.202 1.00 0.00 C ATOM 751 O MET A 48 1.681 12.281 -2.171 1.00 0.00 O ATOM 752 CB MET A 48 3.633 10.271 -4.025 1.00 0.00 C ATOM 753 CG MET A 48 4.827 10.291 -3.069 1.00 0.00 C ATOM 754 SD MET A 48 6.291 9.647 -3.916 1.00 0.00 S ATOM 755 CE MET A 48 6.409 8.085 -3.009 1.00 0.00 C ATOM 0 H MET A 48 1.676 8.871 -4.728 1.00 0.00 H new ATOM 0 HA MET A 48 2.541 9.935 -2.192 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.691 9.400 -4.678 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.652 11.152 -4.666 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.012 11.308 -2.723 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.610 9.689 -2.187 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.646 7.278 -3.703 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.195 8.159 -2.257 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.458 7.876 -2.520 1.00 0.00 H new ATOM 765 N PRO A 49 1.226 12.076 -4.337 1.00 0.00 N ATOM 766 CA PRO A 49 0.600 13.403 -4.461 1.00 0.00 C ATOM 767 C PRO A 49 -0.789 13.386 -3.822 1.00 0.00 C ATOM 768 O PRO A 49 -1.794 13.580 -4.477 1.00 0.00 O ATOM 769 CB PRO A 49 0.526 13.630 -5.974 1.00 0.00 C ATOM 770 CG PRO A 49 0.593 12.230 -6.626 1.00 0.00 C ATOM 771 CD PRO A 49 1.245 11.294 -5.589 1.00 0.00 C ATOM 0 HA PRO A 49 1.152 14.196 -3.957 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.397 14.142 -6.246 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.350 14.257 -6.314 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.404 11.879 -6.893 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.178 12.258 -7.545 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.688 10.363 -5.486 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.262 11.027 -5.877 1.00 0.00 H new ATOM 779 N ASP A 50 -0.845 13.149 -2.540 1.00 0.00 N ATOM 780 CA ASP A 50 -2.154 13.108 -1.834 1.00 0.00 C ATOM 781 C ASP A 50 -1.943 12.559 -0.422 1.00 0.00 C ATOM 782 O ASP A 50 -2.666 12.886 0.498 1.00 0.00 O ATOM 783 CB ASP A 50 -3.118 12.196 -2.596 1.00 0.00 C ATOM 784 CG ASP A 50 -4.416 12.954 -2.886 1.00 0.00 C ATOM 785 OD1 ASP A 50 -4.332 14.061 -3.389 1.00 0.00 O ATOM 786 OD2 ASP A 50 -5.471 12.412 -2.599 1.00 0.00 O ATOM 0 H ASP A 50 -0.032 12.981 -1.948 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.574 14.112 -1.781 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.662 11.865 -3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.330 11.302 -2.010 1.00 0.00 H new ATOM 791 N LEU A 51 -0.951 11.729 -0.246 1.00 0.00 N ATOM 792 CA LEU A 51 -0.682 11.157 1.104 1.00 0.00 C ATOM 793 C LEU A 51 0.076 12.182 1.949 1.00 0.00 C ATOM 794 O LEU A 51 0.519 13.201 1.456 1.00 0.00 O ATOM 795 CB LEU A 51 0.170 9.893 0.959 1.00 0.00 C ATOM 796 CG LEU A 51 -0.326 8.831 1.940 1.00 0.00 C ATOM 797 CD1 LEU A 51 -1.513 8.085 1.330 1.00 0.00 C ATOM 798 CD2 LEU A 51 0.803 7.840 2.232 1.00 0.00 C ATOM 0 H LEU A 51 -0.314 11.422 -0.981 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.626 10.910 1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.111 9.516 -0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.218 10.123 1.154 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.638 9.312 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.866 7.328 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.318 8.790 1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.203 7.604 0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.450 7.082 2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.115 7.360 1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.649 8.371 2.668 1.00 0.00 H new ATOM 810 N ASN A 52 0.233 11.920 3.217 1.00 0.00 N ATOM 811 CA ASN A 52 0.968 12.877 4.090 1.00 0.00 C ATOM 812 C ASN A 52 2.423 12.423 4.225 1.00 0.00 C ATOM 813 O ASN A 52 3.184 12.963 5.004 1.00 0.00 O ATOM 814 CB ASN A 52 0.315 12.913 5.473 1.00 0.00 C ATOM 815 CG ASN A 52 0.310 14.351 5.999 1.00 0.00 C ATOM 816 OD1 ASN A 52 0.316 15.291 5.231 1.00 0.00 O ATOM 817 ND2 ASN A 52 0.301 14.561 7.287 1.00 0.00 N ATOM 0 H ASN A 52 -0.116 11.084 3.686 1.00 0.00 H new ATOM 0 HA ASN A 52 0.935 13.873 3.648 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.705 12.532 5.415 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.859 12.265 6.160 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.299 15.515 7.648 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.296 13.771 7.932 1.00 0.00 H new ATOM 824 N ALA A 53 2.817 11.432 3.471 1.00 0.00 N ATOM 825 CA ALA A 53 4.221 10.941 3.553 1.00 0.00 C ATOM 826 C ALA A 53 5.178 12.132 3.597 1.00 0.00 C ATOM 827 O ALA A 53 4.826 13.239 3.241 1.00 0.00 O ATOM 828 CB ALA A 53 4.536 10.081 2.327 1.00 0.00 C ATOM 0 H ALA A 53 2.225 10.941 2.801 1.00 0.00 H new ATOM 0 HA ALA A 53 4.342 10.344 4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.564 9.722 2.388 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.856 9.230 2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.413 10.677 1.423 1.00 0.00 H new ATOM 834 N ALA A 54 6.388 11.912 4.031 1.00 0.00 N ATOM 835 CA ALA A 54 7.370 13.030 4.095 1.00 0.00 C ATOM 836 C ALA A 54 8.571 12.709 3.200 1.00 0.00 C ATOM 837 O ALA A 54 9.531 13.453 3.143 1.00 0.00 O ATOM 838 CB ALA A 54 7.844 13.210 5.540 1.00 0.00 C ATOM 0 H ALA A 54 6.739 11.007 4.344 1.00 0.00 H new ATOM 0 HA ALA A 54 6.896 13.949 3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.563 14.028 5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.990 13.440 6.177 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.317 12.291 5.885 1.00 0.00 H new ATOM 844 N SER A 55 8.528 11.606 2.501 1.00 0.00 N ATOM 845 CA SER A 55 9.668 11.242 1.615 1.00 0.00 C ATOM 846 C SER A 55 9.504 9.795 1.145 1.00 0.00 C ATOM 847 O SER A 55 8.719 9.042 1.687 1.00 0.00 O ATOM 848 CB SER A 55 10.980 11.382 2.387 1.00 0.00 C ATOM 849 OG SER A 55 11.857 10.325 2.022 1.00 0.00 O ATOM 0 H SER A 55 7.753 10.943 2.506 1.00 0.00 H new ATOM 0 HA SER A 55 9.684 11.906 0.751 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.442 12.345 2.169 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.788 11.356 3.460 1.00 0.00 H new ATOM 0 HG SER A 55 12.699 10.414 2.515 1.00 0.00 H new ATOM 855 N ILE A 56 10.238 9.400 0.143 1.00 0.00 N ATOM 856 CA ILE A 56 10.127 8.002 -0.359 1.00 0.00 C ATOM 857 C ILE A 56 10.256 7.028 0.813 1.00 0.00 C ATOM 858 O ILE A 56 9.300 6.396 1.217 1.00 0.00 O ATOM 859 CB ILE A 56 11.241 7.732 -1.373 1.00 0.00 C ATOM 860 CG1 ILE A 56 11.169 8.770 -2.495 1.00 0.00 C ATOM 861 CG2 ILE A 56 11.069 6.332 -1.965 1.00 0.00 C ATOM 862 CD1 ILE A 56 9.800 8.692 -3.171 1.00 0.00 C ATOM 0 H ILE A 56 10.911 9.986 -0.351 1.00 0.00 H new ATOM 0 HA ILE A 56 9.159 7.865 -0.840 1.00 0.00 H new ATOM 0 HB ILE A 56 12.208 7.798 -0.874 1.00 0.00 H new ATOM 0 HG12 ILE A 56 11.331 9.770 -2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.958 8.589 -3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.863 6.142 -2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.119 5.591 -1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.102 6.264 -2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.746 9.431 -3.971 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.656 7.695 -3.588 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.020 8.895 -2.437 1.00 0.00 H new ATOM 874 N GLU A 57 11.432 6.901 1.364 1.00 0.00 N ATOM 875 CA GLU A 57 11.623 5.969 2.512 1.00 0.00 C ATOM 876 C GLU A 57 10.578 6.267 3.588 1.00 0.00 C ATOM 877 O GLU A 57 10.098 5.378 4.265 1.00 0.00 O ATOM 878 CB GLU A 57 13.025 6.161 3.094 1.00 0.00 C ATOM 879 CG GLU A 57 14.071 5.792 2.040 1.00 0.00 C ATOM 880 CD GLU A 57 15.384 6.519 2.344 1.00 0.00 C ATOM 881 OE1 GLU A 57 15.478 7.108 3.408 1.00 0.00 O ATOM 882 OE2 GLU A 57 16.269 6.475 1.507 1.00 0.00 O ATOM 0 H GLU A 57 12.270 7.403 1.069 1.00 0.00 H new ATOM 0 HA GLU A 57 11.509 4.940 2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.161 7.195 3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.151 5.538 3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.233 4.714 2.035 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.714 6.065 1.047 1.00 0.00 H new ATOM 889 N ALA A 58 10.226 7.511 3.757 1.00 0.00 N ATOM 890 CA ALA A 58 9.214 7.866 4.791 1.00 0.00 C ATOM 891 C ALA A 58 7.853 7.291 4.396 1.00 0.00 C ATOM 892 O ALA A 58 7.154 6.715 5.206 1.00 0.00 O ATOM 893 CB ALA A 58 9.111 9.389 4.900 1.00 0.00 C ATOM 0 H ALA A 58 10.596 8.298 3.223 1.00 0.00 H new ATOM 0 HA ALA A 58 9.517 7.451 5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.371 9.650 5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.080 9.800 5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.809 9.803 3.938 1.00 0.00 H new ATOM 899 N ALA A 59 7.471 7.438 3.157 1.00 0.00 N ATOM 900 CA ALA A 59 6.154 6.898 2.715 1.00 0.00 C ATOM 901 C ALA A 59 6.137 5.383 2.900 1.00 0.00 C ATOM 902 O ALA A 59 5.182 4.815 3.390 1.00 0.00 O ATOM 903 CB ALA A 59 5.932 7.238 1.242 1.00 0.00 C ATOM 0 H ALA A 59 8.013 7.908 2.432 1.00 0.00 H new ATOM 0 HA ALA A 59 5.359 7.344 3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.969 6.843 0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.942 8.320 1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.726 6.793 0.642 1.00 0.00 H new ATOM 909 N MET A 60 7.191 4.731 2.511 1.00 0.00 N ATOM 910 CA MET A 60 7.260 3.250 2.653 1.00 0.00 C ATOM 911 C MET A 60 7.104 2.875 4.127 1.00 0.00 C ATOM 912 O MET A 60 6.531 1.858 4.460 1.00 0.00 O ATOM 913 CB MET A 60 8.612 2.750 2.139 1.00 0.00 C ATOM 914 CG MET A 60 8.723 3.027 0.640 1.00 0.00 C ATOM 915 SD MET A 60 10.438 3.438 0.229 1.00 0.00 S ATOM 916 CE MET A 60 10.749 2.040 -0.876 1.00 0.00 C ATOM 0 H MET A 60 8.017 5.162 2.096 1.00 0.00 H new ATOM 0 HA MET A 60 6.460 2.790 2.073 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.422 3.247 2.672 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.713 1.682 2.330 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.401 2.154 0.073 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.064 3.849 0.361 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.438 2.345 -1.663 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.186 1.218 -0.309 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.810 1.713 -1.322 1.00 0.00 H new ATOM 926 N ARG A 61 7.602 3.689 5.015 1.00 0.00 N ATOM 927 CA ARG A 61 7.469 3.373 6.463 1.00 0.00 C ATOM 928 C ARG A 61 5.986 3.361 6.833 1.00 0.00 C ATOM 929 O ARG A 61 5.450 2.357 7.262 1.00 0.00 O ATOM 930 CB ARG A 61 8.198 4.434 7.292 1.00 0.00 C ATOM 931 CG ARG A 61 8.489 3.881 8.688 1.00 0.00 C ATOM 932 CD ARG A 61 9.997 3.899 8.939 1.00 0.00 C ATOM 933 NE ARG A 61 10.393 2.670 9.683 1.00 0.00 N ATOM 934 CZ ARG A 61 11.005 2.771 10.831 1.00 0.00 C ATOM 935 NH1 ARG A 61 12.237 3.200 10.881 1.00 0.00 N ATOM 936 NH2 ARG A 61 10.385 2.439 11.931 1.00 0.00 N ATOM 0 H ARG A 61 8.094 4.557 4.801 1.00 0.00 H new ATOM 0 HA ARG A 61 7.909 2.397 6.669 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.129 4.718 6.801 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.589 5.335 7.366 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.977 4.479 9.442 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.107 2.864 8.775 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.533 3.952 7.992 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.271 4.786 9.510 1.00 0.00 H new ATOM 0 HE ARG A 61 10.186 1.750 9.295 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.723 3.457 10.022 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.714 3.278 11.779 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.423 2.101 11.892 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.862 2.517 12.829 1.00 0.00 H new ATOM 950 N MET A 62 5.315 4.466 6.661 1.00 0.00 N ATOM 951 CA MET A 62 3.864 4.519 6.992 1.00 0.00 C ATOM 952 C MET A 62 3.079 3.694 5.966 1.00 0.00 C ATOM 953 O MET A 62 1.929 3.363 6.171 1.00 0.00 O ATOM 954 CB MET A 62 3.386 5.972 6.950 1.00 0.00 C ATOM 955 CG MET A 62 4.239 6.818 7.898 1.00 0.00 C ATOM 956 SD MET A 62 4.685 8.373 7.085 1.00 0.00 S ATOM 957 CE MET A 62 3.104 9.220 7.324 1.00 0.00 C ATOM 0 H MET A 62 5.710 5.336 6.305 1.00 0.00 H new ATOM 0 HA MET A 62 3.701 4.111 7.990 1.00 0.00 H new ATOM 0 HB2 MET A 62 3.458 6.360 5.934 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.337 6.029 7.239 1.00 0.00 H new ATOM 0 HG2 MET A 62 3.688 7.021 8.817 1.00 0.00 H new ATOM 0 HG3 MET A 62 5.139 6.272 8.180 1.00 0.00 H new ATOM 0 HE1 MET A 62 3.157 10.218 6.889 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.310 8.654 6.837 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.891 9.299 8.390 1.00 0.00 H new ATOM 967 N ILE A 63 3.695 3.365 4.862 1.00 0.00 N ATOM 968 CA ILE A 63 2.989 2.567 3.818 1.00 0.00 C ATOM 969 C ILE A 63 3.135 1.071 4.127 1.00 0.00 C ATOM 970 O ILE A 63 2.167 0.337 4.151 1.00 0.00 O ATOM 971 CB ILE A 63 3.598 2.884 2.445 1.00 0.00 C ATOM 972 CG1 ILE A 63 3.026 4.208 1.931 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.259 1.772 1.447 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.519 4.065 1.714 1.00 0.00 C ATOM 0 H ILE A 63 4.658 3.615 4.638 1.00 0.00 H new ATOM 0 HA ILE A 63 1.930 2.823 3.811 1.00 0.00 H new ATOM 0 HB ILE A 63 4.681 2.958 2.546 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.227 5.005 2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.513 4.488 0.997 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.696 2.008 0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.662 0.825 1.806 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.177 1.690 1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.113 5.008 1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.330 3.280 0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.039 3.805 2.657 1.00 0.00 H new ATOM 986 N GLU A 64 4.335 0.615 4.358 1.00 0.00 N ATOM 987 CA GLU A 64 4.540 -0.832 4.659 1.00 0.00 C ATOM 988 C GLU A 64 3.800 -1.203 5.946 1.00 0.00 C ATOM 989 O GLU A 64 2.993 -2.111 5.969 1.00 0.00 O ATOM 990 CB GLU A 64 6.036 -1.107 4.832 1.00 0.00 C ATOM 991 CG GLU A 64 6.245 -2.575 5.210 1.00 0.00 C ATOM 992 CD GLU A 64 7.741 -2.891 5.217 1.00 0.00 C ATOM 993 OE1 GLU A 64 8.524 -1.956 5.261 1.00 0.00 O ATOM 994 OE2 GLU A 64 8.080 -4.062 5.181 1.00 0.00 O ATOM 0 H GLU A 64 5.183 1.181 4.352 1.00 0.00 H new ATOM 0 HA GLU A 64 4.150 -1.431 3.836 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.568 -0.879 3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.449 -0.459 5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.816 -2.773 6.192 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.729 -3.222 4.500 1.00 0.00 H new ATOM 1001 N GLY A 65 4.071 -0.514 7.019 1.00 0.00 N ATOM 1002 CA GLY A 65 3.386 -0.833 8.305 1.00 0.00 C ATOM 1003 C GLY A 65 1.878 -0.952 8.074 1.00 0.00 C ATOM 1004 O GLY A 65 1.185 -1.652 8.787 1.00 0.00 O ATOM 0 H GLY A 65 4.737 0.257 7.062 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.775 -1.766 8.713 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.590 -0.054 9.039 1.00 0.00 H new ATOM 1008 N THR A 66 1.365 -0.275 7.086 1.00 0.00 N ATOM 1009 CA THR A 66 -0.100 -0.348 6.811 1.00 0.00 C ATOM 1010 C THR A 66 -0.417 -1.645 6.063 1.00 0.00 C ATOM 1011 O THR A 66 -1.372 -2.332 6.365 1.00 0.00 O ATOM 1012 CB THR A 66 -0.513 0.847 5.949 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.429 2.037 6.720 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.949 0.654 5.457 1.00 0.00 C ATOM 0 H THR A 66 1.895 0.327 6.456 1.00 0.00 H new ATOM 0 HA THR A 66 -0.648 -0.329 7.753 1.00 0.00 H new ATOM 0 HB THR A 66 0.154 0.923 5.090 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.355 2.554 6.439 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.241 1.506 4.843 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.011 -0.258 4.864 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.620 0.577 6.313 1.00 0.00 H new ATOM 1022 N ALA A 67 0.376 -1.980 5.083 1.00 0.00 N ATOM 1023 CA ALA A 67 0.123 -3.225 4.302 1.00 0.00 C ATOM 1024 C ALA A 67 0.063 -4.433 5.241 1.00 0.00 C ATOM 1025 O ALA A 67 -0.681 -5.367 5.016 1.00 0.00 O ATOM 1026 CB ALA A 67 1.252 -3.425 3.294 1.00 0.00 C ATOM 0 H ALA A 67 1.192 -1.443 4.788 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.829 -3.132 3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.071 -4.334 2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.291 -2.571 2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.201 -3.512 3.823 1.00 0.00 H new ATOM 1032 N ARG A 68 0.845 -4.432 6.285 1.00 0.00 N ATOM 1033 CA ARG A 68 0.835 -5.590 7.224 1.00 0.00 C ATOM 1034 C ARG A 68 -0.574 -5.792 7.785 1.00 0.00 C ATOM 1035 O ARG A 68 -0.930 -6.869 8.219 1.00 0.00 O ATOM 1036 CB ARG A 68 1.809 -5.326 8.374 1.00 0.00 C ATOM 1037 CG ARG A 68 2.935 -6.360 8.337 1.00 0.00 C ATOM 1038 CD ARG A 68 4.059 -5.925 9.278 1.00 0.00 C ATOM 1039 NE ARG A 68 5.282 -6.730 8.996 1.00 0.00 N ATOM 1040 CZ ARG A 68 5.830 -7.439 9.945 1.00 0.00 C ATOM 1041 NH1 ARG A 68 5.904 -6.963 11.158 1.00 0.00 N ATOM 1042 NH2 ARG A 68 6.306 -8.625 9.681 1.00 0.00 N ATOM 0 H ARG A 68 1.490 -3.680 6.529 1.00 0.00 H new ATOM 0 HA ARG A 68 1.140 -6.488 6.687 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.222 -4.320 8.292 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.284 -5.378 9.328 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.555 -7.337 8.635 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.316 -6.462 7.321 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.270 -4.864 9.144 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.752 -6.060 10.315 1.00 0.00 H new ATOM 0 HE ARG A 68 5.690 -6.727 8.061 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.533 -6.036 11.365 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.333 -7.518 11.899 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.250 -8.998 8.733 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.734 -9.179 10.422 1.00 0.00 H new ATOM 1056 N SER A 69 -1.381 -4.767 7.782 1.00 0.00 N ATOM 1057 CA SER A 69 -2.764 -4.911 8.318 1.00 0.00 C ATOM 1058 C SER A 69 -3.627 -5.665 7.301 1.00 0.00 C ATOM 1059 O SER A 69 -4.767 -5.992 7.562 1.00 0.00 O ATOM 1060 CB SER A 69 -3.359 -3.525 8.567 1.00 0.00 C ATOM 1061 OG SER A 69 -2.687 -2.915 9.660 1.00 0.00 O ATOM 0 H SER A 69 -1.144 -3.839 7.433 1.00 0.00 H new ATOM 0 HA SER A 69 -2.737 -5.467 9.255 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.259 -2.908 7.674 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.425 -3.607 8.780 1.00 0.00 H new ATOM 0 HG SER A 69 -3.065 -2.025 9.821 1.00 0.00 H new ATOM 1067 N MET A 70 -3.090 -5.941 6.144 1.00 0.00 N ATOM 1068 CA MET A 70 -3.876 -6.673 5.111 1.00 0.00 C ATOM 1069 C MET A 70 -3.153 -7.962 4.739 1.00 0.00 C ATOM 1070 O MET A 70 -3.743 -9.024 4.679 1.00 0.00 O ATOM 1071 CB MET A 70 -3.996 -5.810 3.858 1.00 0.00 C ATOM 1072 CG MET A 70 -5.233 -4.919 3.960 1.00 0.00 C ATOM 1073 SD MET A 70 -4.951 -3.634 5.203 1.00 0.00 S ATOM 1074 CE MET A 70 -6.412 -2.635 4.828 1.00 0.00 C ATOM 0 H MET A 70 -2.140 -5.691 5.869 1.00 0.00 H new ATOM 0 HA MET A 70 -4.865 -6.899 5.509 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.103 -5.196 3.741 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.065 -6.444 2.974 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.447 -4.464 2.993 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.103 -5.517 4.231 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.470 -1.799 5.525 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.340 -2.254 3.809 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.307 -3.249 4.923 1.00 0.00 H new ATOM 1084 N GLY A 71 -1.880 -7.876 4.484 1.00 0.00 N ATOM 1085 CA GLY A 71 -1.116 -9.097 4.108 1.00 0.00 C ATOM 1086 C GLY A 71 -0.081 -8.771 3.021 1.00 0.00 C ATOM 1087 O GLY A 71 0.605 -9.646 2.530 1.00 0.00 O ATOM 0 H GLY A 71 -1.335 -7.015 4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.614 -9.504 4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.801 -9.865 3.748 1.00 0.00 H new ATOM 1091 N ILE A 72 0.044 -7.524 2.642 1.00 0.00 N ATOM 1092 CA ILE A 72 1.038 -7.160 1.592 1.00 0.00 C ATOM 1093 C ILE A 72 2.406 -6.949 2.245 1.00 0.00 C ATOM 1094 O ILE A 72 2.861 -5.836 2.412 1.00 0.00 O ATOM 1095 CB ILE A 72 0.601 -5.869 0.901 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.764 -6.081 0.242 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.629 -5.487 -0.165 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.859 -5.505 1.143 1.00 0.00 C ATOM 0 H ILE A 72 -0.499 -6.745 3.015 1.00 0.00 H new ATOM 0 HA ILE A 72 1.102 -7.961 0.856 1.00 0.00 H new ATOM 0 HB ILE A 72 0.529 -5.069 1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.788 -5.596 -0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.938 -7.144 0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.317 -4.566 -0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.601 -5.336 0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.703 -6.286 -0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.832 -5.655 0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.839 -6.010 2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.687 -4.438 1.288 1.00 0.00 H new ATOM 1110 N VAL A 73 3.061 -8.011 2.619 1.00 0.00 N ATOM 1111 CA VAL A 73 4.394 -7.881 3.266 1.00 0.00 C ATOM 1112 C VAL A 73 5.385 -7.250 2.287 1.00 0.00 C ATOM 1113 O VAL A 73 5.116 -7.123 1.108 1.00 0.00 O ATOM 1114 CB VAL A 73 4.885 -9.271 3.673 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.257 -9.163 4.342 1.00 0.00 C ATOM 1116 CG2 VAL A 73 3.885 -9.885 4.657 1.00 0.00 C ATOM 0 H VAL A 73 2.728 -8.968 2.504 1.00 0.00 H new ATOM 0 HA VAL A 73 4.315 -7.245 4.148 1.00 0.00 H new ATOM 0 HB VAL A 73 4.969 -9.901 2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.601 -10.157 4.629 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.968 -8.721 3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.181 -8.535 5.229 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.227 -10.877 4.953 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.807 -9.250 5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.908 -9.966 4.180 1.00 0.00 H new ATOM 1126 N VAL A 74 6.529 -6.852 2.768 1.00 0.00 N ATOM 1127 CA VAL A 74 7.543 -6.227 1.872 1.00 0.00 C ATOM 1128 C VAL A 74 8.939 -6.669 2.301 1.00 0.00 C ATOM 1129 O VAL A 74 9.307 -6.583 3.455 1.00 0.00 O ATOM 1130 CB VAL A 74 7.441 -4.706 1.964 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.433 -4.071 0.988 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.020 -4.266 1.606 1.00 0.00 C ATOM 0 H VAL A 74 6.807 -6.933 3.746 1.00 0.00 H new ATOM 0 HA VAL A 74 7.360 -6.540 0.844 1.00 0.00 H new ATOM 0 HB VAL A 74 7.674 -4.386 2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.362 -2.985 1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.445 -4.384 1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.199 -4.391 -0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.948 -3.180 1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.786 -4.584 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.313 -4.719 2.301 1.00 0.00 H new ATOM 1142 N GLU A 75 9.718 -7.151 1.375 1.00 0.00 N ATOM 1143 CA GLU A 75 11.095 -7.609 1.719 1.00 0.00 C ATOM 1144 C GLU A 75 12.102 -6.995 0.744 1.00 0.00 C ATOM 1145 O GLU A 75 12.211 -7.413 -0.391 1.00 0.00 O ATOM 1146 CB GLU A 75 11.158 -9.134 1.627 1.00 0.00 C ATOM 1147 CG GLU A 75 11.060 -9.735 3.030 1.00 0.00 C ATOM 1148 CD GLU A 75 12.205 -10.726 3.242 1.00 0.00 C ATOM 1149 OE1 GLU A 75 13.261 -10.295 3.677 1.00 0.00 O ATOM 1150 OE2 GLU A 75 12.008 -11.897 2.966 1.00 0.00 O ATOM 0 H GLU A 75 9.462 -7.248 0.393 1.00 0.00 H new ATOM 0 HA GLU A 75 11.340 -7.293 2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.345 -9.505 1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.090 -9.442 1.152 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.105 -8.945 3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.101 -10.238 3.155 1.00 0.00 H new ATOM 1157 N ASP A 76 12.838 -6.008 1.184 1.00 0.00 N ATOM 1158 CA ASP A 76 13.846 -5.360 0.294 1.00 0.00 C ATOM 1159 C ASP A 76 13.274 -5.214 -1.117 1.00 0.00 C ATOM 1160 O ASP A 76 12.185 -4.681 -1.239 1.00 0.00 O ATOM 1161 CB ASP A 76 15.111 -6.217 0.242 1.00 0.00 C ATOM 1162 CG ASP A 76 16.341 -5.319 0.379 1.00 0.00 C ATOM 1163 OD1 ASP A 76 16.201 -4.121 0.186 1.00 0.00 O ATOM 1164 OD2 ASP A 76 17.403 -5.842 0.677 1.00 0.00 O ATOM 1165 OXT ASP A 76 13.934 -5.639 -2.050 1.00 0.00 O ATOM 0 H ASP A 76 12.784 -5.621 2.126 1.00 0.00 H new ATOM 0 HA ASP A 76 14.089 -4.374 0.689 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.096 -6.956 1.043 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.152 -6.767 -0.698 1.00 0.00 H new