USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 445 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 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.052 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+ 151:sc= -0.34 (180deg=-0.937) USER MOD Single : A 48 MET CE :methyl 153:sc= -7.31! (180deg=-9.23!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 150:sc= -0.173 (180deg=-1.29) USER MOD Single : A 62 MET CE :methyl -127:sc= -1.65 (180deg=-3.54!) USER MOD Single : A 66 THR OG1 : rot 114:sc= 1 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 8 -8.134 7.125 -2.323 1.00 0.00 N ATOM 124 CA PRO A 8 -8.711 5.995 -1.577 1.00 0.00 C ATOM 125 C PRO A 8 -7.860 5.708 -0.336 1.00 0.00 C ATOM 126 O PRO A 8 -6.814 6.300 -0.158 1.00 0.00 O ATOM 127 CB PRO A 8 -8.643 4.834 -2.573 1.00 0.00 C ATOM 128 CG PRO A 8 -7.541 5.202 -3.597 1.00 0.00 C ATOM 129 CD PRO A 8 -7.359 6.729 -3.517 1.00 0.00 C ATOM 0 HA PRO A 8 -9.725 6.177 -1.222 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.405 3.900 -2.065 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.603 4.691 -3.070 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.608 4.688 -3.364 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.830 4.898 -4.603 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.308 7.000 -3.417 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.731 7.222 -4.415 1.00 0.00 H new ATOM 137 N PRO A 9 -8.330 4.806 0.482 1.00 0.00 N ATOM 138 CA PRO A 9 -7.624 4.419 1.714 1.00 0.00 C ATOM 139 C PRO A 9 -6.451 3.495 1.378 1.00 0.00 C ATOM 140 O PRO A 9 -6.605 2.505 0.693 1.00 0.00 O ATOM 141 CB PRO A 9 -8.697 3.691 2.531 1.00 0.00 C ATOM 142 CG PRO A 9 -9.769 3.217 1.522 1.00 0.00 C ATOM 143 CD PRO A 9 -9.600 4.085 0.258 1.00 0.00 C ATOM 0 HA PRO A 9 -7.196 5.263 2.256 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.268 2.845 3.068 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.133 4.355 3.278 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.639 2.161 1.287 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.770 3.330 1.939 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.557 3.473 -0.643 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.434 4.776 0.135 1.00 0.00 H new ATOM 151 N ALA A 10 -5.276 3.816 1.848 1.00 0.00 N ATOM 152 CA ALA A 10 -4.093 2.961 1.545 1.00 0.00 C ATOM 153 C ALA A 10 -4.406 1.496 1.870 1.00 0.00 C ATOM 154 O ALA A 10 -3.734 0.598 1.411 1.00 0.00 O ATOM 155 CB ALA A 10 -2.893 3.427 2.374 1.00 0.00 C ATOM 0 H ALA A 10 -5.084 4.633 2.428 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.856 3.047 0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.030 2.800 2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.662 4.463 2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.132 3.350 3.435 1.00 0.00 H new ATOM 161 N ALA A 11 -5.421 1.239 2.651 1.00 0.00 N ATOM 162 CA ALA A 11 -5.756 -0.176 2.984 1.00 0.00 C ATOM 163 C ALA A 11 -6.644 -0.774 1.885 1.00 0.00 C ATOM 164 O ALA A 11 -7.532 -1.558 2.154 1.00 0.00 O ATOM 165 CB ALA A 11 -6.501 -0.222 4.319 1.00 0.00 C ATOM 0 H ALA A 11 -6.029 1.942 3.070 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.835 -0.755 3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.746 -1.256 4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.869 0.196 5.103 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.419 0.361 4.244 1.00 0.00 H new ATOM 171 N VAL A 12 -6.416 -0.411 0.649 1.00 0.00 N ATOM 172 CA VAL A 12 -7.248 -0.961 -0.452 1.00 0.00 C ATOM 173 C VAL A 12 -6.479 -0.914 -1.780 1.00 0.00 C ATOM 174 O VAL A 12 -6.688 -1.735 -2.650 1.00 0.00 O ATOM 175 CB VAL A 12 -8.524 -0.134 -0.578 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.177 1.310 -0.944 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.390 -0.735 -1.674 1.00 0.00 C ATOM 0 H VAL A 12 -5.689 0.243 0.359 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.495 -1.998 -0.225 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.058 -0.141 0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.094 1.893 -1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.546 1.741 -0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.644 1.326 -1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.306 -0.153 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.845 -0.720 -2.618 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.641 -1.764 -1.416 1.00 0.00 H new ATOM 187 N LEU A 13 -5.602 0.041 -1.955 1.00 0.00 N ATOM 188 CA LEU A 13 -4.842 0.128 -3.233 1.00 0.00 C ATOM 189 C LEU A 13 -3.676 -0.862 -3.211 1.00 0.00 C ATOM 190 O LEU A 13 -3.309 -1.421 -4.225 1.00 0.00 O ATOM 191 CB LEU A 13 -4.303 1.549 -3.407 1.00 0.00 C ATOM 192 CG LEU A 13 -5.249 2.344 -4.307 1.00 0.00 C ATOM 193 CD1 LEU A 13 -4.720 3.769 -4.477 1.00 0.00 C ATOM 194 CD2 LEU A 13 -5.333 1.666 -5.678 1.00 0.00 C ATOM 0 H LEU A 13 -5.381 0.762 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.504 -0.117 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.211 2.036 -2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.305 1.520 -3.845 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.239 2.378 -3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.396 4.334 -5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.657 4.252 -3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.730 3.738 -4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.007 2.230 -6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.341 1.634 -6.129 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.711 0.650 -5.559 1.00 0.00 H new ATOM 206 N LEU A 14 -3.092 -1.086 -2.067 1.00 0.00 N ATOM 207 CA LEU A 14 -1.952 -2.043 -1.998 1.00 0.00 C ATOM 208 C LEU A 14 -2.471 -3.448 -2.293 1.00 0.00 C ATOM 209 O LEU A 14 -2.072 -4.079 -3.252 1.00 0.00 O ATOM 210 CB LEU A 14 -1.323 -2.006 -0.602 1.00 0.00 C ATOM 211 CG LEU A 14 -1.309 -0.567 -0.080 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.381 -0.470 1.131 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.803 0.378 -1.173 1.00 0.00 C ATOM 0 H LEU A 14 -3.352 -0.651 -1.182 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.194 -1.766 -2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.887 -2.644 0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.307 -2.399 -0.640 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.322 -0.284 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.372 0.555 1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.737 -1.137 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.629 -0.759 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.795 1.400 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.208 0.091 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.461 0.317 -2.040 1.00 0.00 H new ATOM 225 N LYS A 15 -3.370 -3.941 -1.487 1.00 0.00 N ATOM 226 CA LYS A 15 -3.922 -5.297 -1.741 1.00 0.00 C ATOM 227 C LYS A 15 -4.451 -5.347 -3.173 1.00 0.00 C ATOM 228 O LYS A 15 -4.461 -6.381 -3.811 1.00 0.00 O ATOM 229 CB LYS A 15 -5.064 -5.577 -0.763 1.00 0.00 C ATOM 230 CG LYS A 15 -4.490 -6.063 0.569 1.00 0.00 C ATOM 231 CD LYS A 15 -5.052 -7.447 0.897 1.00 0.00 C ATOM 232 CE LYS A 15 -5.882 -7.370 2.180 1.00 0.00 C ATOM 233 NZ LYS A 15 -5.859 -8.693 2.867 1.00 0.00 N ATOM 0 H LYS A 15 -3.744 -3.464 -0.667 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.144 -6.048 -1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.654 -4.674 -0.609 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.735 -6.329 -1.178 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.402 -6.105 0.514 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.742 -5.360 1.363 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.669 -7.805 0.073 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.238 -8.162 1.020 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.482 -6.599 2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.908 -7.088 1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.423 -8.641 3.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.260 -9.418 2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.878 -8.944 3.104 1.00 0.00 H new ATOM 247 N LYS A 16 -4.885 -4.227 -3.684 1.00 0.00 N ATOM 248 CA LYS A 16 -5.411 -4.194 -5.077 1.00 0.00 C ATOM 249 C LYS A 16 -4.268 -4.474 -6.056 1.00 0.00 C ATOM 250 O LYS A 16 -4.432 -5.181 -7.030 1.00 0.00 O ATOM 251 CB LYS A 16 -6.000 -2.811 -5.364 1.00 0.00 C ATOM 252 CG LYS A 16 -7.525 -2.909 -5.432 1.00 0.00 C ATOM 253 CD LYS A 16 -7.995 -2.558 -6.845 1.00 0.00 C ATOM 254 CE LYS A 16 -7.506 -3.624 -7.825 1.00 0.00 C ATOM 255 NZ LYS A 16 -8.628 -4.550 -8.150 1.00 0.00 N ATOM 0 H LYS A 16 -4.898 -3.332 -3.195 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.186 -4.951 -5.194 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.705 -2.109 -4.584 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.608 -2.425 -6.305 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.848 -3.917 -5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.977 -2.231 -4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.083 -2.495 -6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.612 -1.580 -7.135 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.133 -3.154 -8.735 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.675 -4.180 -7.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.297 -5.276 -8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.964 -5.008 -7.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.407 -4.013 -8.582 1.00 0.00 H new ATOM 269 N ALA A 17 -3.111 -3.929 -5.800 1.00 0.00 N ATOM 270 CA ALA A 17 -1.957 -4.167 -6.712 1.00 0.00 C ATOM 271 C ALA A 17 -1.638 -5.662 -6.741 1.00 0.00 C ATOM 272 O ALA A 17 -1.260 -6.207 -7.759 1.00 0.00 O ATOM 273 CB ALA A 17 -0.738 -3.394 -6.204 1.00 0.00 C ATOM 0 H ALA A 17 -2.915 -3.329 -4.999 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.208 -3.827 -7.717 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.107 -3.568 -6.871 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.967 -2.329 -6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.484 -3.734 -5.200 1.00 0.00 H new ATOM 279 N ALA A 18 -1.791 -6.330 -5.631 1.00 0.00 N ATOM 280 CA ALA A 18 -1.499 -7.791 -5.596 1.00 0.00 C ATOM 281 C ALA A 18 -2.735 -8.566 -6.055 1.00 0.00 C ATOM 282 O ALA A 18 -2.668 -9.743 -6.350 1.00 0.00 O ATOM 283 CB ALA A 18 -1.137 -8.206 -4.169 1.00 0.00 C ATOM 0 H ALA A 18 -2.105 -5.928 -4.748 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.663 -8.011 -6.260 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.924 -9.275 -4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.257 -7.652 -3.841 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.972 -7.987 -3.504 1.00 0.00 H new ATOM 289 N GLY A 19 -3.865 -7.916 -6.118 1.00 0.00 N ATOM 290 CA GLY A 19 -5.104 -8.617 -6.558 1.00 0.00 C ATOM 291 C GLY A 19 -5.530 -9.622 -5.486 1.00 0.00 C ATOM 292 O GLY A 19 -5.831 -10.763 -5.776 1.00 0.00 O ATOM 0 H GLY A 19 -3.984 -6.930 -5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.901 -7.894 -6.731 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.928 -9.130 -7.503 1.00 0.00 H new ATOM 485 N ALA A 33 2.338 -14.080 -0.988 1.00 0.00 N ATOM 486 CA ALA A 33 1.808 -12.814 -1.570 1.00 0.00 C ATOM 487 C ALA A 33 2.898 -11.743 -1.515 1.00 0.00 C ATOM 488 O ALA A 33 2.916 -10.908 -0.633 1.00 0.00 O ATOM 489 CB ALA A 33 0.594 -12.348 -0.766 1.00 0.00 C ATOM 0 HA ALA A 33 1.510 -12.983 -2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.208 -11.422 -1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.181 -13.114 -0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.888 -12.175 0.269 1.00 0.00 H new ATOM 495 N THR A 34 3.810 -11.764 -2.446 1.00 0.00 N ATOM 496 CA THR A 34 4.899 -10.751 -2.441 1.00 0.00 C ATOM 497 C THR A 34 4.529 -9.594 -3.370 1.00 0.00 C ATOM 498 O THR A 34 3.972 -9.790 -4.431 1.00 0.00 O ATOM 499 CB THR A 34 6.199 -11.395 -2.929 1.00 0.00 C ATOM 500 OG1 THR A 34 5.893 -12.553 -3.694 1.00 0.00 O ATOM 501 CG2 THR A 34 7.057 -11.789 -1.726 1.00 0.00 C ATOM 0 H THR A 34 3.848 -12.439 -3.210 1.00 0.00 H new ATOM 0 HA THR A 34 5.035 -10.375 -1.427 1.00 0.00 H new ATOM 0 HB THR A 34 6.748 -10.685 -3.547 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.724 -12.966 -4.009 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.983 -12.248 -2.074 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.290 -10.901 -1.139 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.510 -12.500 -1.106 1.00 0.00 H new ATOM 509 N ILE A 35 4.839 -8.389 -2.979 1.00 0.00 N ATOM 510 CA ILE A 35 4.510 -7.219 -3.840 1.00 0.00 C ATOM 511 C ILE A 35 5.807 -6.547 -4.289 1.00 0.00 C ATOM 512 O ILE A 35 6.790 -6.545 -3.578 1.00 0.00 O ATOM 513 CB ILE A 35 3.669 -6.219 -3.046 1.00 0.00 C ATOM 514 CG1 ILE A 35 2.290 -6.822 -2.766 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.506 -4.934 -3.858 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.421 -5.798 -2.036 1.00 0.00 C ATOM 0 H ILE A 35 5.306 -8.164 -2.100 1.00 0.00 H new ATOM 0 HA ILE A 35 3.947 -7.553 -4.711 1.00 0.00 H new ATOM 0 HB ILE A 35 4.166 -5.993 -2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.814 -7.117 -3.701 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.392 -7.724 -2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.907 -4.220 -3.293 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.487 -4.504 -4.060 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.008 -5.160 -4.801 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.440 -6.229 -1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.895 -5.525 -1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.308 -4.909 -2.656 1.00 0.00 H new ATOM 528 N LYS A 36 5.820 -5.975 -5.460 1.00 0.00 N ATOM 529 CA LYS A 36 7.059 -5.303 -5.940 1.00 0.00 C ATOM 530 C LYS A 36 7.099 -3.873 -5.398 1.00 0.00 C ATOM 531 O LYS A 36 6.083 -3.220 -5.269 1.00 0.00 O ATOM 532 CB LYS A 36 7.070 -5.277 -7.471 1.00 0.00 C ATOM 533 CG LYS A 36 6.620 -6.637 -8.013 1.00 0.00 C ATOM 534 CD LYS A 36 7.334 -7.759 -7.253 1.00 0.00 C ATOM 535 CE LYS A 36 8.849 -7.579 -7.372 1.00 0.00 C ATOM 536 NZ LYS A 36 9.538 -8.638 -6.582 1.00 0.00 N ATOM 0 H LYS A 36 5.029 -5.944 -6.104 1.00 0.00 H new ATOM 0 HA LYS A 36 7.933 -5.850 -5.586 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.408 -4.492 -7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.071 -5.043 -7.833 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.540 -6.742 -7.906 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.843 -6.707 -9.078 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.038 -7.747 -6.204 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.040 -8.728 -7.656 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.152 -7.635 -8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.139 -6.593 -7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.568 -8.516 -6.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.257 -8.564 -5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.270 -9.574 -6.948 1.00 0.00 H new ATOM 550 N ARG A 37 8.264 -3.382 -5.081 1.00 0.00 N ATOM 551 CA ARG A 37 8.368 -1.998 -4.548 1.00 0.00 C ATOM 552 C ARG A 37 8.126 -1.016 -5.686 1.00 0.00 C ATOM 553 O ARG A 37 7.664 0.090 -5.484 1.00 0.00 O ATOM 554 CB ARG A 37 9.771 -1.777 -3.985 1.00 0.00 C ATOM 555 CG ARG A 37 9.675 -0.990 -2.679 1.00 0.00 C ATOM 556 CD ARG A 37 9.220 -1.925 -1.558 1.00 0.00 C ATOM 557 NE ARG A 37 10.407 -2.605 -0.969 1.00 0.00 N ATOM 558 CZ ARG A 37 11.432 -1.903 -0.571 1.00 0.00 C ATOM 559 NH1 ARG A 37 11.293 -1.035 0.393 1.00 0.00 N ATOM 560 NH2 ARG A 37 12.595 -2.066 -1.139 1.00 0.00 N ATOM 0 H ARG A 37 9.149 -3.881 -5.169 1.00 0.00 H new ATOM 0 HA ARG A 37 7.631 -1.847 -3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.260 -2.735 -3.810 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.383 -1.234 -4.706 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.642 -0.552 -2.433 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.971 -0.165 -2.789 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.692 -1.360 -0.790 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.520 -2.664 -1.947 1.00 0.00 H new ATOM 0 HE ARG A 37 10.418 -3.621 -0.877 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.383 -0.905 0.835 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.094 -0.486 0.704 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.703 -2.743 -1.895 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.396 -1.517 -0.827 1.00 0.00 H new ATOM 574 N ASP A 38 8.442 -1.416 -6.883 1.00 0.00 N ATOM 575 CA ASP A 38 8.240 -0.512 -8.043 1.00 0.00 C ATOM 576 C ASP A 38 6.745 -0.244 -8.234 1.00 0.00 C ATOM 577 O ASP A 38 6.354 0.674 -8.926 1.00 0.00 O ATOM 578 CB ASP A 38 8.807 -1.165 -9.306 1.00 0.00 C ATOM 579 CG ASP A 38 9.158 -0.080 -10.325 1.00 0.00 C ATOM 580 OD1 ASP A 38 9.373 1.047 -9.911 1.00 0.00 O ATOM 581 OD2 ASP A 38 9.206 -0.395 -11.503 1.00 0.00 O ATOM 0 H ASP A 38 8.832 -2.331 -7.108 1.00 0.00 H new ATOM 0 HA ASP A 38 8.755 0.431 -7.858 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.694 -1.749 -9.060 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.078 -1.856 -9.730 1.00 0.00 H new ATOM 586 N LYS A 39 5.907 -1.038 -7.626 1.00 0.00 N ATOM 587 CA LYS A 39 4.439 -0.825 -7.775 1.00 0.00 C ATOM 588 C LYS A 39 3.882 -0.205 -6.493 1.00 0.00 C ATOM 589 O LYS A 39 3.428 0.923 -6.485 1.00 0.00 O ATOM 590 CB LYS A 39 3.752 -2.166 -8.037 1.00 0.00 C ATOM 591 CG LYS A 39 2.968 -2.089 -9.348 1.00 0.00 C ATOM 592 CD LYS A 39 1.539 -1.621 -9.064 1.00 0.00 C ATOM 593 CE LYS A 39 0.550 -2.510 -9.820 1.00 0.00 C ATOM 594 NZ LYS A 39 -0.512 -1.662 -10.435 1.00 0.00 N ATOM 0 H LYS A 39 6.174 -1.824 -7.033 1.00 0.00 H new ATOM 0 HA LYS A 39 4.252 -0.154 -8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.494 -2.963 -8.091 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.081 -2.410 -7.213 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.457 -1.400 -10.036 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.952 -3.065 -9.832 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.337 -1.663 -7.994 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.418 -0.582 -9.370 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.071 -3.076 -10.592 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.103 -3.235 -9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.184 -2.266 -10.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.015 -1.141 -9.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.078 -0.987 -11.096 1.00 0.00 H new ATOM 608 N VAL A 40 3.913 -0.928 -5.407 1.00 0.00 N ATOM 609 CA VAL A 40 3.385 -0.371 -4.131 1.00 0.00 C ATOM 610 C VAL A 40 3.908 1.060 -3.956 1.00 0.00 C ATOM 611 O VAL A 40 3.211 1.936 -3.483 1.00 0.00 O ATOM 612 CB VAL A 40 3.827 -1.273 -2.961 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.042 -0.684 -2.230 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.666 -1.419 -1.975 1.00 0.00 C ATOM 0 H VAL A 40 4.280 -1.878 -5.349 1.00 0.00 H new ATOM 0 HA VAL A 40 2.296 -0.342 -4.149 1.00 0.00 H new ATOM 0 HB VAL A 40 4.110 -2.245 -3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.329 -1.343 -1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.875 -0.588 -2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.786 0.298 -1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.972 -2.056 -1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.386 -0.437 -1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.812 -1.869 -2.482 1.00 0.00 H new ATOM 624 N ARG A 41 5.132 1.297 -4.337 1.00 0.00 N ATOM 625 CA ARG A 41 5.707 2.664 -4.200 1.00 0.00 C ATOM 626 C ARG A 41 4.981 3.619 -5.148 1.00 0.00 C ATOM 627 O ARG A 41 4.645 4.730 -4.790 1.00 0.00 O ATOM 628 CB ARG A 41 7.195 2.628 -4.557 1.00 0.00 C ATOM 629 CG ARG A 41 7.751 4.053 -4.574 1.00 0.00 C ATOM 630 CD ARG A 41 9.161 4.042 -5.165 1.00 0.00 C ATOM 631 NE ARG A 41 9.208 4.938 -6.355 1.00 0.00 N ATOM 632 CZ ARG A 41 9.493 4.447 -7.531 1.00 0.00 C ATOM 633 NH1 ARG A 41 9.148 3.225 -7.829 1.00 0.00 N ATOM 634 NH2 ARG A 41 10.124 5.181 -8.407 1.00 0.00 N ATOM 0 H ARG A 41 5.761 0.601 -4.738 1.00 0.00 H new ATOM 0 HA ARG A 41 5.586 3.008 -3.173 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.739 2.023 -3.832 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.335 2.160 -5.532 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.103 4.701 -5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.772 4.459 -3.563 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.882 4.373 -4.418 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.440 3.027 -5.449 1.00 0.00 H new ATOM 0 HE ARG A 41 9.018 5.935 -6.251 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.655 2.653 -7.143 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.371 2.842 -8.748 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.394 6.136 -8.172 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.347 4.799 -9.326 1.00 0.00 H new ATOM 648 N GLU A 42 4.739 3.196 -6.360 1.00 0.00 N ATOM 649 CA GLU A 42 4.038 4.079 -7.333 1.00 0.00 C ATOM 650 C GLU A 42 2.735 4.589 -6.714 1.00 0.00 C ATOM 651 O GLU A 42 2.455 5.770 -6.722 1.00 0.00 O ATOM 652 CB GLU A 42 3.724 3.289 -8.604 1.00 0.00 C ATOM 653 CG GLU A 42 3.871 4.203 -9.822 1.00 0.00 C ATOM 654 CD GLU A 42 2.682 5.164 -9.885 1.00 0.00 C ATOM 655 OE1 GLU A 42 1.573 4.720 -9.638 1.00 0.00 O ATOM 656 OE2 GLU A 42 2.901 6.328 -10.178 1.00 0.00 O ATOM 0 H GLU A 42 4.997 2.276 -6.717 1.00 0.00 H new ATOM 0 HA GLU A 42 4.678 4.926 -7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.399 2.437 -8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.711 2.890 -8.556 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.803 4.764 -9.758 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.919 3.607 -10.733 1.00 0.00 H new ATOM 663 N ILE A 43 1.935 3.706 -6.181 1.00 0.00 N ATOM 664 CA ILE A 43 0.651 4.143 -5.564 1.00 0.00 C ATOM 665 C ILE A 43 0.938 5.163 -4.462 1.00 0.00 C ATOM 666 O ILE A 43 0.460 6.280 -4.495 1.00 0.00 O ATOM 667 CB ILE A 43 -0.063 2.931 -4.962 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.358 1.915 -6.067 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.378 3.377 -4.319 1.00 0.00 C ATOM 670 CD1 ILE A 43 0.125 0.532 -5.630 1.00 0.00 C ATOM 0 H ILE A 43 2.115 2.703 -6.146 1.00 0.00 H new ATOM 0 HA ILE A 43 0.017 4.598 -6.325 1.00 0.00 H new ATOM 0 HB ILE A 43 0.574 2.474 -4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.427 1.889 -6.276 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.140 2.211 -6.990 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.885 2.512 -3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.171 4.103 -3.532 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.016 3.834 -5.075 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.085 -0.192 -6.417 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.198 0.564 -5.443 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.394 0.237 -4.718 1.00 0.00 H new ATOM 682 N ALA A 44 1.714 4.787 -3.485 1.00 0.00 N ATOM 683 CA ALA A 44 2.034 5.733 -2.379 1.00 0.00 C ATOM 684 C ALA A 44 2.526 7.059 -2.961 1.00 0.00 C ATOM 685 O ALA A 44 2.481 8.085 -2.313 1.00 0.00 O ATOM 686 CB ALA A 44 3.122 5.125 -1.493 1.00 0.00 C ATOM 0 H ALA A 44 2.141 3.864 -3.404 1.00 0.00 H new ATOM 0 HA ALA A 44 1.139 5.914 -1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.359 5.814 -0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.767 4.183 -1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.017 4.944 -2.088 1.00 0.00 H new ATOM 692 N GLU A 45 2.994 7.050 -4.181 1.00 0.00 N ATOM 693 CA GLU A 45 3.484 8.315 -4.799 1.00 0.00 C ATOM 694 C GLU A 45 2.298 9.096 -5.368 1.00 0.00 C ATOM 695 O GLU A 45 2.239 10.306 -5.277 1.00 0.00 O ATOM 696 CB GLU A 45 4.468 7.988 -5.924 1.00 0.00 C ATOM 697 CG GLU A 45 5.430 9.163 -6.116 1.00 0.00 C ATOM 698 CD GLU A 45 6.112 9.051 -7.481 1.00 0.00 C ATOM 699 OE1 GLU A 45 6.162 7.951 -8.008 1.00 0.00 O ATOM 700 OE2 GLU A 45 6.575 10.066 -7.975 1.00 0.00 O ATOM 0 H GLU A 45 3.058 6.223 -4.775 1.00 0.00 H new ATOM 0 HA GLU A 45 3.987 8.917 -4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.026 7.083 -5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.927 7.792 -6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.887 10.106 -6.046 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.178 9.166 -5.324 1.00 0.00 H new ATOM 707 N LEU A 46 1.348 8.415 -5.950 1.00 0.00 N ATOM 708 CA LEU A 46 0.167 9.122 -6.517 1.00 0.00 C ATOM 709 C LEU A 46 -0.585 9.820 -5.382 1.00 0.00 C ATOM 710 O LEU A 46 -1.070 10.923 -5.532 1.00 0.00 O ATOM 711 CB LEU A 46 -0.757 8.110 -7.202 1.00 0.00 C ATOM 712 CG LEU A 46 -1.488 8.789 -8.361 1.00 0.00 C ATOM 713 CD1 LEU A 46 -0.495 9.097 -9.483 1.00 0.00 C ATOM 714 CD2 LEU A 46 -2.580 7.857 -8.890 1.00 0.00 C ATOM 0 H LEU A 46 1.340 7.401 -6.057 1.00 0.00 H new ATOM 0 HA LEU A 46 0.494 9.859 -7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.177 7.263 -7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.477 7.716 -6.485 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.939 9.718 -8.011 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.017 9.581 -10.308 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.284 9.761 -9.108 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.043 8.169 -9.834 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.102 8.340 -9.716 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.128 6.929 -9.239 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.289 7.638 -8.092 1.00 0.00 H new ATOM 726 N LYS A 47 -0.673 9.186 -4.246 1.00 0.00 N ATOM 727 CA LYS A 47 -1.378 9.811 -3.093 1.00 0.00 C ATOM 728 C LYS A 47 -0.340 10.417 -2.147 1.00 0.00 C ATOM 729 O LYS A 47 -0.581 10.592 -0.969 1.00 0.00 O ATOM 730 CB LYS A 47 -2.183 8.742 -2.350 1.00 0.00 C ATOM 731 CG LYS A 47 -3.115 8.032 -3.334 1.00 0.00 C ATOM 732 CD LYS A 47 -2.947 6.517 -3.194 1.00 0.00 C ATOM 733 CE LYS A 47 -3.513 6.065 -1.847 1.00 0.00 C ATOM 734 NZ LYS A 47 -2.435 5.419 -1.048 1.00 0.00 N ATOM 0 H LYS A 47 -0.286 8.260 -4.066 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.053 10.589 -3.448 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.510 8.022 -1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.763 9.199 -1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.150 8.313 -3.139 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.888 8.341 -4.354 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.463 6.006 -4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.893 6.249 -3.266 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.919 6.920 -1.306 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.335 5.366 -2.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.627 5.552 -0.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.405 4.402 -1.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.520 5.851 -1.287 1.00 0.00 H new ATOM 748 N MET A 48 0.818 10.733 -2.661 1.00 0.00 N ATOM 749 CA MET A 48 1.886 11.321 -1.807 1.00 0.00 C ATOM 750 C MET A 48 1.398 12.633 -1.168 1.00 0.00 C ATOM 751 O MET A 48 1.566 12.829 0.019 1.00 0.00 O ATOM 752 CB MET A 48 3.140 11.570 -2.664 1.00 0.00 C ATOM 753 CG MET A 48 4.006 12.666 -2.035 1.00 0.00 C ATOM 754 SD MET A 48 4.417 12.205 -0.335 1.00 0.00 S ATOM 755 CE MET A 48 6.115 12.830 -0.339 1.00 0.00 C ATOM 0 H MET A 48 1.070 10.608 -3.641 1.00 0.00 H new ATOM 0 HA MET A 48 2.133 10.626 -1.004 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.716 10.649 -2.754 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.847 11.862 -3.672 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.917 12.803 -2.617 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.474 13.617 -2.047 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.407 13.096 0.677 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.785 12.059 -0.719 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.177 13.712 -0.977 1.00 0.00 H new ATOM 765 N PRO A 49 0.816 13.499 -1.965 1.00 0.00 N ATOM 766 CA PRO A 49 0.313 14.795 -1.475 1.00 0.00 C ATOM 767 C PRO A 49 -1.006 14.609 -0.722 1.00 0.00 C ATOM 768 O PRO A 49 -1.565 15.545 -0.188 1.00 0.00 O ATOM 769 CB PRO A 49 0.112 15.611 -2.753 1.00 0.00 C ATOM 770 CG PRO A 49 -0.033 14.591 -3.905 1.00 0.00 C ATOM 771 CD PRO A 49 0.599 13.275 -3.410 1.00 0.00 C ATOM 0 HA PRO A 49 0.991 15.281 -0.773 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.775 16.239 -2.677 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.959 16.275 -2.927 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.082 14.444 -4.163 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.469 14.948 -4.804 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.060 12.425 -3.587 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.536 13.064 -3.926 1.00 0.00 H new ATOM 779 N ASP A 50 -1.504 13.405 -0.670 1.00 0.00 N ATOM 780 CA ASP A 50 -2.782 13.158 0.054 1.00 0.00 C ATOM 781 C ASP A 50 -2.535 12.171 1.197 1.00 0.00 C ATOM 782 O ASP A 50 -3.445 11.789 1.908 1.00 0.00 O ATOM 783 CB ASP A 50 -3.813 12.572 -0.912 1.00 0.00 C ATOM 784 CG ASP A 50 -3.910 13.457 -2.156 1.00 0.00 C ATOM 785 OD1 ASP A 50 -2.928 13.548 -2.874 1.00 0.00 O ATOM 786 OD2 ASP A 50 -4.966 14.030 -2.370 1.00 0.00 O ATOM 0 H ASP A 50 -1.081 12.581 -1.098 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.158 14.098 0.458 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.527 11.559 -1.195 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.786 12.504 -0.425 1.00 0.00 H new ATOM 791 N LEU A 51 -1.312 11.750 1.378 1.00 0.00 N ATOM 792 CA LEU A 51 -1.008 10.786 2.471 1.00 0.00 C ATOM 793 C LEU A 51 -0.353 11.523 3.641 1.00 0.00 C ATOM 794 O LEU A 51 -0.071 10.942 4.671 1.00 0.00 O ATOM 795 CB LEU A 51 -0.051 9.713 1.946 1.00 0.00 C ATOM 796 CG LEU A 51 -0.819 8.737 1.053 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.154 8.053 0.090 1.00 0.00 C ATOM 798 CD2 LEU A 51 -1.501 7.679 1.923 1.00 0.00 C ATOM 0 H LEU A 51 -0.510 12.033 0.815 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.933 10.320 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.759 10.177 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.405 9.178 2.779 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.572 9.282 0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.393 7.357 -0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.642 8.805 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.907 7.508 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.049 6.983 1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.747 7.135 2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.194 8.165 2.610 1.00 0.00 H new ATOM 810 N ASN A 52 -0.108 12.797 3.496 1.00 0.00 N ATOM 811 CA ASN A 52 0.529 13.563 4.604 1.00 0.00 C ATOM 812 C ASN A 52 1.981 13.107 4.765 1.00 0.00 C ATOM 813 O ASN A 52 2.637 13.426 5.737 1.00 0.00 O ATOM 814 CB ASN A 52 -0.232 13.299 5.905 1.00 0.00 C ATOM 815 CG ASN A 52 -0.626 14.629 6.549 1.00 0.00 C ATOM 816 OD1 ASN A 52 0.220 15.368 7.013 1.00 0.00 O ATOM 817 ND2 ASN A 52 -1.885 14.967 6.598 1.00 0.00 N ATOM 0 H ASN A 52 -0.321 13.340 2.659 1.00 0.00 H new ATOM 0 HA ASN A 52 0.503 14.628 4.375 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.122 12.704 5.703 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.389 12.722 6.590 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.159 15.851 7.026 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.595 14.347 6.209 1.00 0.00 H new ATOM 824 N ALA A 53 2.484 12.359 3.822 1.00 0.00 N ATOM 825 CA ALA A 53 3.892 11.879 3.921 1.00 0.00 C ATOM 826 C ALA A 53 4.852 13.019 3.575 1.00 0.00 C ATOM 827 O ALA A 53 4.950 13.438 2.439 1.00 0.00 O ATOM 828 CB ALA A 53 4.103 10.720 2.945 1.00 0.00 C ATOM 0 H ALA A 53 1.981 12.059 2.987 1.00 0.00 H new ATOM 0 HA ALA A 53 4.088 11.541 4.938 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.132 10.367 3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.423 9.906 3.194 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.905 11.060 1.928 1.00 0.00 H new ATOM 834 N ALA A 54 5.563 13.522 4.547 1.00 0.00 N ATOM 835 CA ALA A 54 6.520 14.631 4.273 1.00 0.00 C ATOM 836 C ALA A 54 7.307 14.317 3.002 1.00 0.00 C ATOM 837 O ALA A 54 7.536 15.175 2.172 1.00 0.00 O ATOM 838 CB ALA A 54 7.486 14.774 5.452 1.00 0.00 C ATOM 0 H ALA A 54 5.523 13.213 5.518 1.00 0.00 H new ATOM 0 HA ALA A 54 5.971 15.563 4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.186 15.585 5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.923 14.996 6.359 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.037 13.843 5.586 1.00 0.00 H new ATOM 844 N SER A 55 7.723 13.090 2.841 1.00 0.00 N ATOM 845 CA SER A 55 8.495 12.714 1.622 1.00 0.00 C ATOM 846 C SER A 55 8.171 11.267 1.243 1.00 0.00 C ATOM 847 O SER A 55 7.378 10.609 1.885 1.00 0.00 O ATOM 848 CB SER A 55 9.992 12.843 1.904 1.00 0.00 C ATOM 849 OG SER A 55 10.257 12.421 3.235 1.00 0.00 O ATOM 0 H SER A 55 7.561 12.330 3.502 1.00 0.00 H new ATOM 0 HA SER A 55 8.223 13.377 0.801 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.560 12.237 1.198 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.312 13.876 1.767 1.00 0.00 H new ATOM 0 HG SER A 55 11.216 12.501 3.419 1.00 0.00 H new ATOM 855 N ILE A 56 8.780 10.767 0.202 1.00 0.00 N ATOM 856 CA ILE A 56 8.506 9.363 -0.216 1.00 0.00 C ATOM 857 C ILE A 56 8.908 8.408 0.909 1.00 0.00 C ATOM 858 O ILE A 56 8.186 7.493 1.246 1.00 0.00 O ATOM 859 CB ILE A 56 9.320 9.035 -1.466 1.00 0.00 C ATOM 860 CG1 ILE A 56 9.068 10.099 -2.538 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.901 7.665 -2.001 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.585 10.104 -2.915 1.00 0.00 C ATOM 0 H ILE A 56 9.454 11.269 -0.376 1.00 0.00 H new ATOM 0 HA ILE A 56 7.443 9.251 -0.430 1.00 0.00 H new ATOM 0 HB ILE A 56 10.380 9.020 -1.213 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.363 11.081 -2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.677 9.894 -3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.481 7.430 -2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.082 6.906 -1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.840 7.681 -2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.406 10.862 -3.678 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.305 9.125 -3.303 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.986 10.329 -2.033 1.00 0.00 H new ATOM 874 N GLU A 57 10.057 8.610 1.492 1.00 0.00 N ATOM 875 CA GLU A 57 10.495 7.709 2.593 1.00 0.00 C ATOM 876 C GLU A 57 9.384 7.620 3.639 1.00 0.00 C ATOM 877 O GLU A 57 9.292 6.665 4.386 1.00 0.00 O ATOM 878 CB GLU A 57 11.763 8.271 3.242 1.00 0.00 C ATOM 879 CG GLU A 57 12.953 8.056 2.305 1.00 0.00 C ATOM 880 CD GLU A 57 14.000 7.186 3.003 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.214 7.385 4.188 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.571 6.335 2.341 1.00 0.00 O ATOM 0 H GLU A 57 10.709 9.357 1.254 1.00 0.00 H new ATOM 0 HA GLU A 57 10.705 6.717 2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.638 9.334 3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.945 7.778 4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.622 7.577 1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.389 9.016 2.027 1.00 0.00 H new ATOM 889 N ALA A 58 8.537 8.611 3.700 1.00 0.00 N ATOM 890 CA ALA A 58 7.428 8.587 4.695 1.00 0.00 C ATOM 891 C ALA A 58 6.197 7.920 4.077 1.00 0.00 C ATOM 892 O ALA A 58 5.399 7.315 4.766 1.00 0.00 O ATOM 893 CB ALA A 58 7.080 10.020 5.104 1.00 0.00 C ATOM 0 H ALA A 58 8.565 9.437 3.103 1.00 0.00 H new ATOM 0 HA ALA A 58 7.742 8.023 5.573 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.269 10.004 5.832 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.956 10.495 5.547 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.767 10.584 4.225 1.00 0.00 H new ATOM 899 N ALA A 59 6.031 8.025 2.786 1.00 0.00 N ATOM 900 CA ALA A 59 4.844 7.395 2.139 1.00 0.00 C ATOM 901 C ALA A 59 5.042 5.879 2.060 1.00 0.00 C ATOM 902 O ALA A 59 4.273 5.114 2.609 1.00 0.00 O ATOM 903 CB ALA A 59 4.668 7.963 0.729 1.00 0.00 C ATOM 0 H ALA A 59 6.662 8.517 2.154 1.00 0.00 H new ATOM 0 HA ALA A 59 3.955 7.611 2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.800 7.502 0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.520 9.041 0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.559 7.751 0.137 1.00 0.00 H new ATOM 909 N MET A 60 6.067 5.438 1.385 1.00 0.00 N ATOM 910 CA MET A 60 6.311 3.973 1.277 1.00 0.00 C ATOM 911 C MET A 60 6.350 3.372 2.681 1.00 0.00 C ATOM 912 O MET A 60 6.165 2.187 2.867 1.00 0.00 O ATOM 913 CB MET A 60 7.647 3.721 0.576 1.00 0.00 C ATOM 914 CG MET A 60 7.856 2.216 0.403 1.00 0.00 C ATOM 915 SD MET A 60 8.106 1.836 -1.349 1.00 0.00 S ATOM 916 CE MET A 60 9.555 2.887 -1.608 1.00 0.00 C ATOM 0 H MET A 60 6.746 6.028 0.904 1.00 0.00 H new ATOM 0 HA MET A 60 5.512 3.510 0.697 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.659 4.215 -0.396 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.463 4.147 1.160 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.719 1.889 0.983 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.991 1.672 0.784 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.186 2.452 -2.383 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.233 3.881 -1.917 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.121 2.962 -0.679 1.00 0.00 H new ATOM 926 N ARG A 61 6.589 4.186 3.672 1.00 0.00 N ATOM 927 CA ARG A 61 6.638 3.671 5.065 1.00 0.00 C ATOM 928 C ARG A 61 5.249 3.180 5.470 1.00 0.00 C ATOM 929 O ARG A 61 5.095 2.119 6.040 1.00 0.00 O ATOM 930 CB ARG A 61 7.081 4.791 6.006 1.00 0.00 C ATOM 931 CG ARG A 61 7.341 4.214 7.397 1.00 0.00 C ATOM 932 CD ARG A 61 6.808 5.179 8.458 1.00 0.00 C ATOM 933 NE ARG A 61 5.750 4.499 9.259 1.00 0.00 N ATOM 934 CZ ARG A 61 6.016 3.379 9.873 1.00 0.00 C ATOM 935 NH1 ARG A 61 6.696 3.392 10.988 1.00 0.00 N ATOM 936 NH2 ARG A 61 5.602 2.247 9.375 1.00 0.00 N ATOM 0 H ARG A 61 6.753 5.188 3.575 1.00 0.00 H new ATOM 0 HA ARG A 61 7.348 2.846 5.127 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.984 5.266 5.623 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.312 5.562 6.058 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.855 3.243 7.496 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.409 4.052 7.541 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.619 5.505 9.109 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.402 6.072 7.982 1.00 0.00 H new ATOM 0 HE ARG A 61 4.819 4.909 9.327 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.019 4.277 11.378 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.904 2.517 11.469 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.070 2.237 8.505 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.810 1.372 9.856 1.00 0.00 H new ATOM 950 N MET A 62 4.237 3.943 5.171 1.00 0.00 N ATOM 951 CA MET A 62 2.855 3.522 5.529 1.00 0.00 C ATOM 952 C MET A 62 2.426 2.382 4.606 1.00 0.00 C ATOM 953 O MET A 62 1.568 1.590 4.936 1.00 0.00 O ATOM 954 CB MET A 62 1.897 4.703 5.358 1.00 0.00 C ATOM 955 CG MET A 62 2.004 5.625 6.573 1.00 0.00 C ATOM 956 SD MET A 62 1.177 7.194 6.213 1.00 0.00 S ATOM 957 CE MET A 62 2.262 7.712 4.860 1.00 0.00 C ATOM 0 H MET A 62 4.307 4.842 4.693 1.00 0.00 H new ATOM 0 HA MET A 62 2.831 3.187 6.566 1.00 0.00 H new ATOM 0 HB2 MET A 62 2.139 5.253 4.448 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.874 4.343 5.250 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.548 5.152 7.443 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.051 5.801 6.818 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.638 8.715 5.059 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.100 7.019 4.780 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.702 7.714 3.925 1.00 0.00 H new ATOM 967 N ILE A 63 3.024 2.292 3.449 1.00 0.00 N ATOM 968 CA ILE A 63 2.660 1.202 2.501 1.00 0.00 C ATOM 969 C ILE A 63 3.322 -0.100 2.950 1.00 0.00 C ATOM 970 O ILE A 63 2.822 -1.176 2.707 1.00 0.00 O ATOM 971 CB ILE A 63 3.146 1.572 1.101 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.407 2.850 0.639 1.00 0.00 C ATOM 973 CG2 ILE A 63 2.887 0.395 0.154 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.512 2.577 -0.578 1.00 0.00 C ATOM 0 H ILE A 63 3.750 2.928 3.119 1.00 0.00 H new ATOM 0 HA ILE A 63 1.578 1.070 2.486 1.00 0.00 H new ATOM 0 HB ILE A 63 4.217 1.776 1.101 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.800 3.236 1.458 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.135 3.622 0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.231 0.652 -0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.426 -0.483 0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.819 0.179 0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.009 3.498 -0.874 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.123 2.215 -1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.767 1.824 -0.320 1.00 0.00 H new ATOM 986 N GLU A 64 4.443 -0.009 3.609 1.00 0.00 N ATOM 987 CA GLU A 64 5.131 -1.242 4.080 1.00 0.00 C ATOM 988 C GLU A 64 4.480 -1.718 5.381 1.00 0.00 C ATOM 989 O GLU A 64 4.175 -2.882 5.545 1.00 0.00 O ATOM 990 CB GLU A 64 6.610 -0.937 4.331 1.00 0.00 C ATOM 991 CG GLU A 64 7.464 -2.110 3.841 1.00 0.00 C ATOM 992 CD GLU A 64 8.939 -1.823 4.125 1.00 0.00 C ATOM 993 OE1 GLU A 64 9.379 -2.114 5.226 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.606 -1.318 3.236 1.00 0.00 O ATOM 0 H GLU A 64 4.912 0.866 3.842 1.00 0.00 H new ATOM 0 HA GLU A 64 5.046 -2.021 3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.897 -0.023 3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.782 -0.767 5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.159 -3.029 4.341 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.312 -2.263 2.773 1.00 0.00 H new ATOM 1001 N GLY A 65 4.262 -0.824 6.308 1.00 0.00 N ATOM 1002 CA GLY A 65 3.630 -1.225 7.597 1.00 0.00 C ATOM 1003 C GLY A 65 2.146 -1.515 7.371 1.00 0.00 C ATOM 1004 O GLY A 65 1.548 -2.317 8.060 1.00 0.00 O ATOM 0 H GLY A 65 4.494 0.166 6.228 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.127 -2.108 7.998 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.748 -0.431 8.334 1.00 0.00 H new ATOM 1008 N THR A 66 1.545 -0.871 6.407 1.00 0.00 N ATOM 1009 CA THR A 66 0.099 -1.115 6.137 1.00 0.00 C ATOM 1010 C THR A 66 -0.044 -2.316 5.201 1.00 0.00 C ATOM 1011 O THR A 66 -1.005 -3.056 5.267 1.00 0.00 O ATOM 1012 CB THR A 66 -0.513 0.124 5.478 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.321 1.251 6.326 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.009 -0.105 5.250 1.00 0.00 C ATOM 0 H THR A 66 1.992 -0.188 5.796 1.00 0.00 H new ATOM 0 HA THR A 66 -0.419 -1.319 7.074 1.00 0.00 H new ATOM 0 HB THR A 66 -0.029 0.307 4.519 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.288 1.886 5.894 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.445 0.777 4.781 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.150 -0.969 4.600 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.499 -0.287 6.206 1.00 0.00 H new ATOM 1022 N ALA A 67 0.909 -2.517 4.332 1.00 0.00 N ATOM 1023 CA ALA A 67 0.833 -3.670 3.394 1.00 0.00 C ATOM 1024 C ALA A 67 1.497 -4.892 4.033 1.00 0.00 C ATOM 1025 O ALA A 67 1.475 -5.977 3.488 1.00 0.00 O ATOM 1026 CB ALA A 67 1.562 -3.315 2.096 1.00 0.00 C ATOM 0 H ALA A 67 1.738 -1.931 4.232 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.211 -3.896 3.177 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.508 -4.157 1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.092 -2.443 1.641 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.606 -3.091 2.315 1.00 0.00 H new ATOM 1032 N ARG A 68 2.087 -4.725 5.186 1.00 0.00 N ATOM 1033 CA ARG A 68 2.752 -5.878 5.857 1.00 0.00 C ATOM 1034 C ARG A 68 1.903 -6.338 7.044 1.00 0.00 C ATOM 1035 O ARG A 68 2.073 -7.427 7.554 1.00 0.00 O ATOM 1036 CB ARG A 68 4.135 -5.450 6.353 1.00 0.00 C ATOM 1037 CG ARG A 68 4.938 -6.688 6.756 1.00 0.00 C ATOM 1038 CD ARG A 68 6.417 -6.461 6.436 1.00 0.00 C ATOM 1039 NE ARG A 68 7.127 -6.019 7.669 1.00 0.00 N ATOM 1040 CZ ARG A 68 8.390 -5.690 7.615 1.00 0.00 C ATOM 1041 NH1 ARG A 68 8.753 -4.596 7.002 1.00 0.00 N ATOM 1042 NH2 ARG A 68 9.287 -6.453 8.175 1.00 0.00 N ATOM 0 H ARG A 68 2.137 -3.841 5.692 1.00 0.00 H new ATOM 0 HA ARG A 68 2.858 -6.699 5.148 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.660 -4.902 5.571 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.035 -4.775 7.203 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.811 -6.887 7.820 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.569 -7.564 6.222 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.863 -7.380 6.055 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.520 -5.709 5.654 1.00 0.00 H new ATOM 0 HE ARG A 68 6.626 -5.973 8.556 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.051 -3.999 6.566 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.739 -4.338 6.959 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.002 -7.307 8.655 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.273 -6.196 8.133 1.00 0.00 H new ATOM 1056 N SER A 69 0.990 -5.518 7.488 1.00 0.00 N ATOM 1057 CA SER A 69 0.132 -5.912 8.641 1.00 0.00 C ATOM 1058 C SER A 69 -1.054 -6.739 8.140 1.00 0.00 C ATOM 1059 O SER A 69 -1.909 -7.141 8.903 1.00 0.00 O ATOM 1060 CB SER A 69 -0.382 -4.656 9.346 1.00 0.00 C ATOM 1061 OG SER A 69 0.468 -4.354 10.444 1.00 0.00 O ATOM 0 H SER A 69 0.801 -4.593 7.102 1.00 0.00 H new ATOM 0 HA SER A 69 0.717 -6.508 9.341 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.407 -3.818 8.649 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.403 -4.812 9.694 1.00 0.00 H new ATOM 0 HG SER A 69 0.143 -3.548 10.898 1.00 0.00 H new ATOM 1067 N MET A 70 -1.111 -7.000 6.861 1.00 0.00 N ATOM 1068 CA MET A 70 -2.240 -7.803 6.313 1.00 0.00 C ATOM 1069 C MET A 70 -1.719 -9.173 5.872 1.00 0.00 C ATOM 1070 O MET A 70 -2.480 -10.089 5.633 1.00 0.00 O ATOM 1071 CB MET A 70 -2.846 -7.078 5.110 1.00 0.00 C ATOM 1072 CG MET A 70 -3.141 -5.625 5.485 1.00 0.00 C ATOM 1073 SD MET A 70 -4.666 -5.088 4.672 1.00 0.00 S ATOM 1074 CE MET A 70 -3.962 -3.675 3.787 1.00 0.00 C ATOM 0 H MET A 70 -0.424 -6.691 6.173 1.00 0.00 H new ATOM 0 HA MET A 70 -3.003 -7.931 7.081 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.158 -7.114 4.266 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.763 -7.577 4.795 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.240 -5.531 6.566 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.311 -4.985 5.184 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.743 -3.184 3.206 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.544 -2.968 4.504 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.175 -4.021 3.117 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.426 -9.317 5.762 1.00 0.00 N ATOM 1085 CA GLY A 71 0.144 -10.627 5.335 1.00 0.00 C ATOM 1086 C GLY A 71 0.834 -10.471 3.979 1.00 0.00 C ATOM 1087 O GLY A 71 1.226 -11.438 3.356 1.00 0.00 O ATOM 0 H GLY A 71 0.259 -8.585 5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.857 -10.984 6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.647 -11.374 5.268 1.00 0.00 H new ATOM 1091 N ILE A 72 0.987 -9.261 3.514 1.00 0.00 N ATOM 1092 CA ILE A 72 1.651 -9.049 2.197 1.00 0.00 C ATOM 1093 C ILE A 72 3.049 -8.467 2.416 1.00 0.00 C ATOM 1094 O ILE A 72 3.234 -7.551 3.191 1.00 0.00 O ATOM 1095 CB ILE A 72 0.826 -8.073 1.357 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.608 -8.593 1.233 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.445 -7.951 -0.036 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.572 -7.409 1.139 1.00 0.00 C ATOM 0 H ILE A 72 0.681 -8.411 3.989 1.00 0.00 H new ATOM 0 HA ILE A 72 1.729 -10.004 1.677 1.00 0.00 H new ATOM 0 HB ILE A 72 0.818 -7.095 1.839 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.702 -9.224 0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.858 -9.212 2.095 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.858 -7.256 -0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.467 -7.582 0.051 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.452 -8.929 -0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.594 -7.778 1.051 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.484 -6.796 2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.326 -6.808 0.263 1.00 0.00 H new ATOM 1110 N VAL A 73 4.033 -8.985 1.733 1.00 0.00 N ATOM 1111 CA VAL A 73 5.412 -8.452 1.901 1.00 0.00 C ATOM 1112 C VAL A 73 5.708 -7.474 0.758 1.00 0.00 C ATOM 1113 O VAL A 73 4.885 -7.256 -0.109 1.00 0.00 O ATOM 1114 CB VAL A 73 6.421 -9.617 1.906 1.00 0.00 C ATOM 1115 CG1 VAL A 73 7.000 -9.851 0.505 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.564 -9.291 2.871 1.00 0.00 C ATOM 0 H VAL A 73 3.941 -9.753 1.068 1.00 0.00 H new ATOM 0 HA VAL A 73 5.500 -7.923 2.850 1.00 0.00 H new ATOM 0 HB VAL A 73 5.901 -10.521 2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.709 -10.678 0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.193 -10.092 -0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.510 -8.949 0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.280 -10.113 2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.063 -8.377 2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.164 -9.151 3.875 1.00 0.00 H new ATOM 1126 N VAL A 74 6.869 -6.884 0.747 1.00 0.00 N ATOM 1127 CA VAL A 74 7.198 -5.926 -0.343 1.00 0.00 C ATOM 1128 C VAL A 74 8.718 -5.893 -0.551 1.00 0.00 C ATOM 1129 O VAL A 74 9.479 -5.748 0.385 1.00 0.00 O ATOM 1130 CB VAL A 74 6.651 -4.532 0.034 1.00 0.00 C ATOM 1131 CG1 VAL A 74 7.759 -3.632 0.596 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.046 -3.874 -1.209 1.00 0.00 C ATOM 0 H VAL A 74 7.602 -7.023 1.443 1.00 0.00 H new ATOM 0 HA VAL A 74 6.736 -6.238 -1.279 1.00 0.00 H new ATOM 0 HB VAL A 74 5.890 -4.659 0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.342 -2.658 0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.183 -4.091 1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.541 -3.506 -0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.658 -2.889 -0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.814 -3.770 -1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.234 -4.494 -1.590 1.00 0.00 H new ATOM 1142 N GLU A 75 9.162 -6.027 -1.770 1.00 0.00 N ATOM 1143 CA GLU A 75 10.626 -6.006 -2.037 1.00 0.00 C ATOM 1144 C GLU A 75 10.884 -5.379 -3.408 1.00 0.00 C ATOM 1145 O GLU A 75 10.148 -5.599 -4.350 1.00 0.00 O ATOM 1146 CB GLU A 75 11.168 -7.436 -2.016 1.00 0.00 C ATOM 1147 CG GLU A 75 11.732 -7.748 -0.630 1.00 0.00 C ATOM 1148 CD GLU A 75 13.261 -7.734 -0.686 1.00 0.00 C ATOM 1149 OE1 GLU A 75 13.829 -8.732 -1.098 1.00 0.00 O ATOM 1150 OE2 GLU A 75 13.839 -6.724 -0.315 1.00 0.00 O ATOM 0 H GLU A 75 8.573 -6.150 -2.593 1.00 0.00 H new ATOM 0 HA GLU A 75 11.129 -5.418 -1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.374 -8.141 -2.264 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.945 -7.553 -2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.377 -7.013 0.093 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.379 -8.723 -0.293 1.00 0.00 H new ATOM 1157 N ASP A 76 11.923 -4.600 -3.527 1.00 0.00 N ATOM 1158 CA ASP A 76 12.227 -3.958 -4.837 1.00 0.00 C ATOM 1159 C ASP A 76 12.567 -5.039 -5.866 1.00 0.00 C ATOM 1160 O ASP A 76 11.901 -5.086 -6.887 1.00 0.00 O ATOM 1161 CB ASP A 76 13.420 -3.014 -4.676 1.00 0.00 C ATOM 1162 CG ASP A 76 13.838 -2.479 -6.046 1.00 0.00 C ATOM 1163 OD1 ASP A 76 13.167 -2.797 -7.015 1.00 0.00 O ATOM 1164 OD2 ASP A 76 14.821 -1.758 -6.106 1.00 0.00 O ATOM 1165 OXT ASP A 76 13.488 -5.798 -5.615 1.00 0.00 O ATOM 0 H ASP A 76 12.575 -4.380 -2.774 1.00 0.00 H new ATOM 0 HA ASP A 76 11.359 -3.393 -5.176 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.156 -2.187 -4.016 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.253 -3.540 -4.210 1.00 0.00 H new