USER MOD reduce.3.24.130724 H: found=0, std=0, add=315, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 315 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 1 THR N :NH3+ 135:sc= 0.115 (180deg=-0.0819) USER MOD Single : A 1 THR OG1 : rot 41:sc= 1.24 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0697 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.88 K(o=0.88,f=-0.0049) USER MOD Single : A 14 ASN : amide:sc= -0.155 K(o=-0.16,f=-1.1) USER MOD Single : A 21 THR OG1 : rot 125:sc= 1.27 USER MOD Single : A 28 THR OG1 : rot 82:sc= 1.27 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -30:sc= -0.0822 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot -132:sc= 0.637 USER MOD Single : A 46 ASN : amide:sc= -0.0499 X(o=-0.05,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -3.437 -5.487 7.016 1.00 0.00 N ATOM 2 CA THR A 1 -4.512 -4.565 6.594 1.00 0.00 C ATOM 3 C THR A 1 -4.089 -3.777 5.348 1.00 0.00 C ATOM 4 O THR A 1 -4.801 -3.768 4.347 1.00 0.00 O ATOM 5 CB THR A 1 -4.930 -3.611 7.745 1.00 0.00 C ATOM 6 OG1 THR A 1 -5.941 -2.695 7.306 1.00 0.00 O ATOM 7 CG2 THR A 1 -3.744 -2.832 8.298 1.00 0.00 C ATOM 0 H1 THR A 1 -3.312 -5.425 8.047 1.00 0.00 H new ATOM 0 H2 THR A 1 -3.693 -6.461 6.756 1.00 0.00 H new ATOM 0 H3 THR A 1 -2.549 -5.224 6.543 1.00 0.00 H new ATOM 0 HA THR A 1 -5.385 -5.165 6.339 1.00 0.00 H new ATOM 0 HB THR A 1 -5.330 -4.236 8.543 1.00 0.00 H new ATOM 0 HG1 THR A 1 -6.587 -3.167 6.741 1.00 0.00 H new ATOM 0 HG21 THR A 1 -4.082 -2.177 9.101 1.00 0.00 H new ATOM 0 HG22 THR A 1 -3.000 -3.528 8.686 1.00 0.00 H new ATOM 0 HG23 THR A 1 -3.300 -2.233 7.503 1.00 0.00 H new ATOM 17 N THR A 2 -2.924 -3.143 5.400 1.00 0.00 N ATOM 18 CA THR A 2 -2.397 -2.427 4.253 1.00 0.00 C ATOM 19 C THR A 2 -1.381 -3.300 3.538 1.00 0.00 C ATOM 20 O THR A 2 -0.305 -3.588 4.072 1.00 0.00 O ATOM 21 CB THR A 2 -1.722 -1.119 4.675 1.00 0.00 C ATOM 22 OG1 THR A 2 -2.538 -0.440 5.640 1.00 0.00 O ATOM 23 CG2 THR A 2 -1.487 -0.217 3.476 1.00 0.00 C ATOM 0 H THR A 2 -2.328 -3.112 6.227 1.00 0.00 H new ATOM 0 HA THR A 2 -3.229 -2.189 3.590 1.00 0.00 H new ATOM 0 HB THR A 2 -0.756 -1.360 5.119 1.00 0.00 H new ATOM 0 HG1 THR A 2 -2.101 0.395 5.908 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.007 0.705 3.803 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.844 -0.726 2.758 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.441 0.018 3.005 1.00 0.00 H new ATOM 31 N CYS A 3 -1.723 -3.725 2.345 1.00 0.00 N ATOM 32 CA CYS A 3 -0.901 -4.670 1.611 1.00 0.00 C ATOM 33 C CYS A 3 -0.796 -4.261 0.150 1.00 0.00 C ATOM 34 O CYS A 3 -1.804 -4.079 -0.537 1.00 0.00 O ATOM 35 CB CYS A 3 -1.483 -6.077 1.759 1.00 0.00 C ATOM 36 SG CYS A 3 -1.633 -6.614 3.500 1.00 0.00 S ATOM 0 H CYS A 3 -2.569 -3.432 1.856 1.00 0.00 H new ATOM 0 HA CYS A 3 0.108 -4.670 2.023 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.466 -6.108 1.290 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -0.851 -6.783 1.221 1.00 0.00 H new ATOM 41 N CYS A 4 0.433 -4.086 -0.308 1.00 0.00 N ATOM 42 CA CYS A 4 0.691 -3.598 -1.649 1.00 0.00 C ATOM 43 C CYS A 4 1.115 -4.746 -2.560 1.00 0.00 C ATOM 44 O CYS A 4 1.637 -5.752 -2.079 1.00 0.00 O ATOM 45 CB CYS A 4 1.781 -2.524 -1.593 1.00 0.00 C ATOM 46 SG CYS A 4 1.465 -1.209 -0.363 1.00 0.00 S ATOM 0 H CYS A 4 1.274 -4.277 0.237 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.221 -3.163 -2.058 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.735 -3.000 -1.364 1.00 0.00 H new ATOM 0 HB3 CYS A 4 1.880 -2.069 -2.579 1.00 0.00 H new ATOM 51 N PRO A 5 0.870 -4.616 -3.882 1.00 0.00 N ATOM 52 CA PRO A 5 1.235 -5.635 -4.879 1.00 0.00 C ATOM 53 C PRO A 5 2.633 -6.219 -4.677 1.00 0.00 C ATOM 54 O PRO A 5 2.783 -7.357 -4.235 1.00 0.00 O ATOM 55 CB PRO A 5 1.170 -4.856 -6.191 1.00 0.00 C ATOM 56 CG PRO A 5 0.102 -3.848 -5.967 1.00 0.00 C ATOM 57 CD PRO A 5 0.189 -3.465 -4.511 1.00 0.00 C ATOM 0 HA PRO A 5 0.576 -6.502 -4.827 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.124 -4.381 -6.419 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.931 -5.509 -7.030 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.246 -2.978 -6.608 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.879 -4.260 -6.204 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.753 -2.543 -4.373 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.799 -3.301 -4.081 1.00 0.00 H new ATOM 65 N SER A 6 3.645 -5.436 -5.008 1.00 0.00 N ATOM 66 CA SER A 6 5.025 -5.852 -4.834 1.00 0.00 C ATOM 67 C SER A 6 5.777 -4.812 -4.003 1.00 0.00 C ATOM 68 O SER A 6 5.186 -3.825 -3.553 1.00 0.00 O ATOM 69 CB SER A 6 5.695 -6.047 -6.202 1.00 0.00 C ATOM 70 OG SER A 6 6.963 -6.670 -6.075 1.00 0.00 O ATOM 0 H SER A 6 3.535 -4.502 -5.402 1.00 0.00 H new ATOM 0 HA SER A 6 5.050 -6.804 -4.304 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.052 -6.654 -6.840 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.811 -5.081 -6.693 1.00 0.00 H new ATOM 0 HG SER A 6 7.363 -6.782 -6.963 1.00 0.00 H new ATOM 76 N ILE A 7 7.076 -5.030 -3.815 1.00 0.00 N ATOM 77 CA ILE A 7 7.904 -4.160 -2.981 1.00 0.00 C ATOM 78 C ILE A 7 7.850 -2.717 -3.480 1.00 0.00 C ATOM 79 O ILE A 7 7.777 -1.776 -2.693 1.00 0.00 O ATOM 80 CB ILE A 7 9.386 -4.614 -2.957 1.00 0.00 C ATOM 81 CG1 ILE A 7 9.524 -6.059 -2.464 1.00 0.00 C ATOM 82 CG2 ILE A 7 10.219 -3.688 -2.080 1.00 0.00 C ATOM 83 CD1 ILE A 7 9.284 -7.104 -3.533 1.00 0.00 C ATOM 0 H ILE A 7 7.583 -5.810 -4.233 1.00 0.00 H new ATOM 0 HA ILE A 7 7.498 -4.225 -1.971 1.00 0.00 H new ATOM 0 HB ILE A 7 9.757 -4.565 -3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 7 10.525 -6.197 -2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.820 -6.222 -1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.256 -4.025 -2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.168 -2.672 -2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.830 -3.703 -1.062 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.401 -8.098 -3.102 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.274 -6.996 -3.927 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.005 -6.971 -4.340 1.00 0.00 H new ATOM 95 N VAL A 8 7.878 -2.560 -4.798 1.00 0.00 N ATOM 96 CA VAL A 8 7.857 -1.239 -5.422 1.00 0.00 C ATOM 97 C VAL A 8 6.627 -0.442 -4.990 1.00 0.00 C ATOM 98 O VAL A 8 6.717 0.749 -4.683 1.00 0.00 O ATOM 99 CB VAL A 8 7.873 -1.339 -6.962 1.00 0.00 C ATOM 100 CG1 VAL A 8 8.060 0.034 -7.589 1.00 0.00 C ATOM 101 CG2 VAL A 8 8.958 -2.296 -7.426 1.00 0.00 C ATOM 0 H VAL A 8 7.916 -3.335 -5.460 1.00 0.00 H new ATOM 0 HA VAL A 8 8.758 -0.723 -5.090 1.00 0.00 H new ATOM 0 HB VAL A 8 6.910 -1.732 -7.288 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.068 -0.060 -8.675 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.240 0.686 -7.287 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.005 0.461 -7.255 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.952 -2.352 -8.515 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.929 -1.937 -7.086 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.772 -3.286 -7.011 1.00 0.00 H new ATOM 111 N ALA A 9 5.479 -1.109 -4.951 1.00 0.00 N ATOM 112 CA ALA A 9 4.239 -0.466 -4.536 1.00 0.00 C ATOM 113 C ALA A 9 4.309 -0.070 -3.065 1.00 0.00 C ATOM 114 O ALA A 9 3.807 0.981 -2.665 1.00 0.00 O ATOM 115 CB ALA A 9 3.056 -1.385 -4.789 1.00 0.00 C ATOM 0 H ALA A 9 5.382 -2.093 -5.201 1.00 0.00 H new ATOM 0 HA ALA A 9 4.103 0.440 -5.127 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.137 -0.890 -4.474 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.997 -1.617 -5.852 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.184 -2.307 -4.223 1.00 0.00 H new ATOM 121 N ARG A 10 4.951 -0.918 -2.268 1.00 0.00 N ATOM 122 CA ARG A 10 5.178 -0.629 -0.860 1.00 0.00 C ATOM 123 C ARG A 10 6.048 0.615 -0.713 1.00 0.00 C ATOM 124 O ARG A 10 5.786 1.473 0.130 1.00 0.00 O ATOM 125 CB ARG A 10 5.847 -1.826 -0.174 1.00 0.00 C ATOM 126 CG ARG A 10 6.229 -1.574 1.278 1.00 0.00 C ATOM 127 CD ARG A 10 5.010 -1.272 2.134 1.00 0.00 C ATOM 128 NE ARG A 10 4.066 -2.384 2.148 1.00 0.00 N ATOM 129 CZ ARG A 10 3.065 -2.508 3.014 1.00 0.00 C ATOM 130 NH1 ARG A 10 2.873 -1.594 3.958 1.00 0.00 N ATOM 131 NH2 ARG A 10 2.272 -3.567 2.943 1.00 0.00 N ATOM 0 H ARG A 10 5.324 -1.815 -2.577 1.00 0.00 H new ATOM 0 HA ARG A 10 4.216 -0.444 -0.381 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.172 -2.681 -0.218 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.743 -2.098 -0.733 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.746 -2.448 1.675 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.927 -0.739 1.331 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.328 -1.053 3.153 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.513 -0.379 1.756 1.00 0.00 H new ATOM 0 HE ARG A 10 4.182 -3.115 1.446 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.496 -0.789 4.023 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.102 -1.697 4.618 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.432 -4.277 2.229 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.501 -3.672 3.603 1.00 0.00 H new ATOM 145 N SER A 11 7.072 0.710 -1.552 1.00 0.00 N ATOM 146 CA SER A 11 7.976 1.848 -1.523 1.00 0.00 C ATOM 147 C SER A 11 7.219 3.137 -1.840 1.00 0.00 C ATOM 148 O SER A 11 7.405 4.149 -1.167 1.00 0.00 O ATOM 149 CB SER A 11 9.129 1.645 -2.512 1.00 0.00 C ATOM 150 OG SER A 11 10.145 2.618 -2.319 1.00 0.00 O ATOM 0 H SER A 11 7.296 0.011 -2.261 1.00 0.00 H new ATOM 0 HA SER A 11 8.395 1.930 -0.520 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.548 0.647 -2.386 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.752 1.706 -3.533 1.00 0.00 H new ATOM 0 HG SER A 11 10.870 2.466 -2.961 1.00 0.00 H new ATOM 156 N ASN A 12 6.350 3.087 -2.849 1.00 0.00 N ATOM 157 CA ASN A 12 5.530 4.247 -3.211 1.00 0.00 C ATOM 158 C ASN A 12 4.689 4.699 -2.029 1.00 0.00 C ATOM 159 O ASN A 12 4.638 5.886 -1.704 1.00 0.00 O ATOM 160 CB ASN A 12 4.608 3.924 -4.389 1.00 0.00 C ATOM 161 CG ASN A 12 5.299 4.010 -5.736 1.00 0.00 C ATOM 162 OD1 ASN A 12 5.346 5.073 -6.349 1.00 0.00 O ATOM 163 ND2 ASN A 12 5.826 2.896 -6.214 1.00 0.00 N ATOM 0 H ASN A 12 6.195 2.262 -3.428 1.00 0.00 H new ATOM 0 HA ASN A 12 6.209 5.049 -3.501 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.204 2.920 -4.260 1.00 0.00 H new ATOM 0 HB3 ASN A 12 3.762 4.612 -4.378 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.292 2.901 -7.122 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.767 2.032 -5.675 1.00 0.00 H new ATOM 170 N PHE A 13 4.039 3.737 -1.387 1.00 0.00 N ATOM 171 CA PHE A 13 3.204 4.003 -0.222 1.00 0.00 C ATOM 172 C PHE A 13 4.024 4.654 0.891 1.00 0.00 C ATOM 173 O PHE A 13 3.577 5.609 1.531 1.00 0.00 O ATOM 174 CB PHE A 13 2.570 2.696 0.268 1.00 0.00 C ATOM 175 CG PHE A 13 1.723 2.845 1.498 1.00 0.00 C ATOM 176 CD1 PHE A 13 0.528 3.542 1.454 1.00 0.00 C ATOM 177 CD2 PHE A 13 2.127 2.286 2.699 1.00 0.00 C ATOM 178 CE1 PHE A 13 -0.249 3.679 2.586 1.00 0.00 C ATOM 179 CE2 PHE A 13 1.353 2.420 3.833 1.00 0.00 C ATOM 180 CZ PHE A 13 0.164 3.117 3.777 1.00 0.00 C ATOM 0 H PHE A 13 4.075 2.754 -1.657 1.00 0.00 H new ATOM 0 HA PHE A 13 2.412 4.696 -0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.958 2.280 -0.532 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.362 1.975 0.471 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.200 3.983 0.524 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.057 1.740 2.748 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.179 4.225 2.540 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.678 1.979 4.764 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.443 3.223 4.664 1.00 0.00 H new ATOM 190 N ASN A 14 5.232 4.146 1.096 1.00 0.00 N ATOM 191 CA ASN A 14 6.117 4.656 2.136 1.00 0.00 C ATOM 192 C ASN A 14 6.606 6.064 1.818 1.00 0.00 C ATOM 193 O ASN A 14 6.562 6.947 2.676 1.00 0.00 O ATOM 194 CB ASN A 14 7.314 3.724 2.334 1.00 0.00 C ATOM 195 CG ASN A 14 6.928 2.407 2.982 1.00 0.00 C ATOM 196 OD1 ASN A 14 5.973 2.338 3.759 1.00 0.00 O ATOM 197 ND2 ASN A 14 7.667 1.353 2.672 1.00 0.00 N ATOM 0 H ASN A 14 5.624 3.377 0.553 1.00 0.00 H new ATOM 0 HA ASN A 14 5.539 4.697 3.059 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.780 3.527 1.368 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.060 4.224 2.952 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.454 0.443 3.080 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.449 1.451 2.025 1.00 0.00 H new ATOM 204 N VAL A 15 7.070 6.273 0.590 1.00 0.00 N ATOM 205 CA VAL A 15 7.591 7.573 0.172 1.00 0.00 C ATOM 206 C VAL A 15 6.489 8.629 0.155 1.00 0.00 C ATOM 207 O VAL A 15 6.690 9.755 0.613 1.00 0.00 O ATOM 208 CB VAL A 15 8.254 7.502 -1.224 1.00 0.00 C ATOM 209 CG1 VAL A 15 8.747 8.873 -1.667 1.00 0.00 C ATOM 210 CG2 VAL A 15 9.402 6.506 -1.224 1.00 0.00 C ATOM 0 H VAL A 15 7.096 5.557 -0.136 1.00 0.00 H new ATOM 0 HA VAL A 15 8.348 7.857 0.903 1.00 0.00 H new ATOM 0 HB VAL A 15 7.499 7.164 -1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.208 8.793 -2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.905 9.564 -1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.481 9.245 -0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.854 6.472 -2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.151 6.814 -0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.026 5.517 -0.963 1.00 0.00 H new ATOM 220 N CYS A 16 5.327 8.263 -0.362 1.00 0.00 N ATOM 221 CA CYS A 16 4.196 9.181 -0.426 1.00 0.00 C ATOM 222 C CYS A 16 3.790 9.654 0.967 1.00 0.00 C ATOM 223 O CYS A 16 3.555 10.843 1.186 1.00 0.00 O ATOM 224 CB CYS A 16 3.007 8.512 -1.120 1.00 0.00 C ATOM 225 SG CYS A 16 1.462 9.478 -1.055 1.00 0.00 S ATOM 0 H CYS A 16 5.140 7.336 -0.744 1.00 0.00 H new ATOM 0 HA CYS A 16 4.503 10.052 -1.005 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.265 8.331 -2.163 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.833 7.539 -0.661 1.00 0.00 H new ATOM 230 N ARG A 17 3.738 8.729 1.916 1.00 0.00 N ATOM 231 CA ARG A 17 3.279 9.051 3.260 1.00 0.00 C ATOM 232 C ARG A 17 4.440 9.488 4.155 1.00 0.00 C ATOM 233 O ARG A 17 4.248 9.788 5.333 1.00 0.00 O ATOM 234 CB ARG A 17 2.572 7.842 3.872 1.00 0.00 C ATOM 235 CG ARG A 17 1.830 8.163 5.157 1.00 0.00 C ATOM 236 CD ARG A 17 1.322 6.911 5.842 1.00 0.00 C ATOM 237 NE ARG A 17 2.412 6.026 6.235 1.00 0.00 N ATOM 238 CZ ARG A 17 3.116 6.161 7.356 1.00 0.00 C ATOM 239 NH1 ARG A 17 2.853 7.147 8.212 1.00 0.00 N ATOM 240 NH2 ARG A 17 4.087 5.301 7.615 1.00 0.00 N ATOM 0 H ARG A 17 4.007 7.754 1.781 1.00 0.00 H new ATOM 0 HA ARG A 17 2.579 9.883 3.188 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.867 7.437 3.146 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.308 7.063 4.071 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.492 8.704 5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.991 8.823 4.937 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.744 7.189 6.723 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.646 6.379 5.172 1.00 0.00 H new ATOM 0 HE ARG A 17 2.650 5.255 5.611 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.104 7.810 8.012 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.400 7.239 9.068 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.288 4.546 6.959 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.635 5.393 8.471 1.00 0.00 H new ATOM 254 N LEU A 18 5.638 9.538 3.584 1.00 0.00 N ATOM 255 CA LEU A 18 6.844 9.870 4.340 1.00 0.00 C ATOM 256 C LEU A 18 6.718 11.228 5.053 1.00 0.00 C ATOM 257 O LEU A 18 6.976 11.313 6.254 1.00 0.00 O ATOM 258 CB LEU A 18 8.072 9.844 3.421 1.00 0.00 C ATOM 259 CG LEU A 18 9.425 9.897 4.130 1.00 0.00 C ATOM 260 CD1 LEU A 18 9.577 8.723 5.086 1.00 0.00 C ATOM 261 CD2 LEU A 18 10.549 9.899 3.108 1.00 0.00 C ATOM 0 H LEU A 18 5.802 9.352 2.595 1.00 0.00 H new ATOM 0 HA LEU A 18 6.970 9.113 5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.033 8.937 2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.008 10.688 2.734 1.00 0.00 H new ATOM 0 HG LEU A 18 9.477 10.818 4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.547 8.780 5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.785 8.759 5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.508 7.789 4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.509 9.937 3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.495 8.992 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.450 10.770 2.460 1.00 0.00 H new ATOM 273 N PRO A 19 6.324 12.312 4.347 1.00 0.00 N ATOM 274 CA PRO A 19 6.075 13.606 4.996 1.00 0.00 C ATOM 275 C PRO A 19 4.871 13.559 5.941 1.00 0.00 C ATOM 276 O PRO A 19 4.940 14.027 7.076 1.00 0.00 O ATOM 277 CB PRO A 19 5.799 14.556 3.827 1.00 0.00 C ATOM 278 CG PRO A 19 5.382 13.676 2.701 1.00 0.00 C ATOM 279 CD PRO A 19 6.130 12.389 2.886 1.00 0.00 C ATOM 0 HA PRO A 19 6.916 13.914 5.617 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.017 15.272 4.078 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.688 15.132 3.569 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.305 13.507 2.715 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.621 14.132 1.740 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.563 11.537 2.511 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.082 12.397 2.354 1.00 0.00 H new ATOM 287 N GLY A 20 3.775 12.983 5.465 1.00 0.00 N ATOM 288 CA GLY A 20 2.566 12.909 6.261 1.00 0.00 C ATOM 289 C GLY A 20 1.326 13.014 5.403 1.00 0.00 C ATOM 290 O GLY A 20 0.571 13.979 5.503 1.00 0.00 O ATOM 0 H GLY A 20 3.702 12.564 4.538 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.549 11.968 6.811 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.567 13.711 7.000 1.00 0.00 H new ATOM 294 N THR A 21 1.127 12.025 4.549 1.00 0.00 N ATOM 295 CA THR A 21 0.008 12.019 3.621 1.00 0.00 C ATOM 296 C THR A 21 -0.965 10.898 3.988 1.00 0.00 C ATOM 297 O THR A 21 -0.531 9.815 4.378 1.00 0.00 O ATOM 298 CB THR A 21 0.520 11.815 2.178 1.00 0.00 C ATOM 299 OG1 THR A 21 1.682 12.629 1.958 1.00 0.00 O ATOM 300 CG2 THR A 21 -0.547 12.177 1.152 1.00 0.00 C ATOM 0 H THR A 21 1.733 11.207 4.479 1.00 0.00 H new ATOM 0 HA THR A 21 -0.509 12.977 3.683 1.00 0.00 H new ATOM 0 HB THR A 21 0.770 10.761 2.057 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.424 12.065 1.656 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.153 12.022 0.147 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.423 11.546 1.300 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.829 13.223 1.274 1.00 0.00 H new ATOM 308 N PRO A 22 -2.287 11.151 3.909 1.00 0.00 N ATOM 309 CA PRO A 22 -3.316 10.142 4.182 1.00 0.00 C ATOM 310 C PRO A 22 -3.006 8.804 3.512 1.00 0.00 C ATOM 311 O PRO A 22 -2.761 8.742 2.302 1.00 0.00 O ATOM 312 CB PRO A 22 -4.602 10.753 3.601 1.00 0.00 C ATOM 313 CG PRO A 22 -4.192 12.030 2.937 1.00 0.00 C ATOM 314 CD PRO A 22 -2.894 12.439 3.569 1.00 0.00 C ATOM 0 HA PRO A 22 -3.388 9.919 5.247 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.068 10.074 2.886 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.334 10.940 4.387 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.073 11.888 1.863 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.951 12.800 3.075 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.271 13.012 2.882 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.050 13.060 4.451 1.00 0.00 H new ATOM 322 N GLU A 23 -3.028 7.739 4.307 1.00 0.00 N ATOM 323 CA GLU A 23 -2.598 6.421 3.853 1.00 0.00 C ATOM 324 C GLU A 23 -3.442 5.916 2.688 1.00 0.00 C ATOM 325 O GLU A 23 -2.908 5.363 1.724 1.00 0.00 O ATOM 326 CB GLU A 23 -2.637 5.423 5.013 1.00 0.00 C ATOM 327 CG GLU A 23 -1.737 5.828 6.168 1.00 0.00 C ATOM 328 CD GLU A 23 -1.592 4.757 7.227 1.00 0.00 C ATOM 329 OE1 GLU A 23 -0.729 3.869 7.068 1.00 0.00 O ATOM 330 OE2 GLU A 23 -2.326 4.815 8.237 1.00 0.00 O ATOM 0 H GLU A 23 -3.342 7.764 5.277 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.573 6.515 3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.662 5.330 5.372 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.336 4.440 4.651 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.750 6.078 5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.136 6.732 6.629 1.00 0.00 H new ATOM 337 N ALA A 24 -4.754 6.132 2.765 1.00 0.00 N ATOM 338 CA ALA A 24 -5.673 5.674 1.725 1.00 0.00 C ATOM 339 C ALA A 24 -5.329 6.292 0.374 1.00 0.00 C ATOM 340 O ALA A 24 -5.466 5.650 -0.670 1.00 0.00 O ATOM 341 CB ALA A 24 -7.110 5.998 2.106 1.00 0.00 C ATOM 0 H ALA A 24 -5.205 6.622 3.538 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.568 4.593 1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.782 5.650 1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.359 5.500 3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.220 7.076 2.227 1.00 0.00 H new ATOM 347 N LEU A 25 -4.861 7.535 0.402 1.00 0.00 N ATOM 348 CA LEU A 25 -4.483 8.241 -0.796 1.00 0.00 C ATOM 349 C LEU A 25 -3.238 7.619 -1.421 1.00 0.00 C ATOM 350 O LEU A 25 -3.225 7.285 -2.607 1.00 0.00 O ATOM 351 CB LEU A 25 -4.230 9.700 -0.437 1.00 0.00 C ATOM 352 CG LEU A 25 -5.375 10.669 -0.737 1.00 0.00 C ATOM 353 CD1 LEU A 25 -5.677 10.700 -2.226 1.00 0.00 C ATOM 354 CD2 LEU A 25 -6.619 10.295 0.053 1.00 0.00 C ATOM 0 H LEU A 25 -4.737 8.073 1.260 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.286 8.174 -1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.000 9.758 0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.343 10.038 -0.974 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.063 11.667 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.494 11.395 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.790 11.024 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.964 9.703 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.420 10.998 -0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.932 9.287 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.398 10.332 1.120 1.00 0.00 H new ATOM 366 N CYS A 26 -2.205 7.444 -0.606 1.00 0.00 N ATOM 367 CA CYS A 26 -0.941 6.894 -1.075 1.00 0.00 C ATOM 368 C CYS A 26 -1.100 5.449 -1.531 1.00 0.00 C ATOM 369 O CYS A 26 -0.479 5.029 -2.507 1.00 0.00 O ATOM 370 CB CYS A 26 0.116 6.988 0.025 1.00 0.00 C ATOM 371 SG CYS A 26 0.477 8.696 0.542 1.00 0.00 S ATOM 0 H CYS A 26 -2.219 7.676 0.387 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.616 7.483 -1.933 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.221 6.418 0.891 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.036 6.521 -0.326 1.00 0.00 H new ATOM 376 N ALA A 27 -1.942 4.696 -0.833 1.00 0.00 N ATOM 377 CA ALA A 27 -2.203 3.311 -1.194 1.00 0.00 C ATOM 378 C ALA A 27 -2.851 3.231 -2.570 1.00 0.00 C ATOM 379 O ALA A 27 -2.314 2.598 -3.479 1.00 0.00 O ATOM 380 CB ALA A 27 -3.080 2.643 -0.145 1.00 0.00 C ATOM 0 H ALA A 27 -2.455 5.023 -0.014 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.253 2.779 -1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.265 1.608 -0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.575 2.668 0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.029 3.174 -0.072 1.00 0.00 H new ATOM 386 N THR A 28 -3.985 3.910 -2.725 1.00 0.00 N ATOM 387 CA THR A 28 -4.719 3.911 -3.986 1.00 0.00 C ATOM 388 C THR A 28 -3.838 4.412 -5.135 1.00 0.00 C ATOM 389 O THR A 28 -3.918 3.912 -6.259 1.00 0.00 O ATOM 390 CB THR A 28 -5.988 4.788 -3.882 1.00 0.00 C ATOM 391 OG1 THR A 28 -6.747 4.409 -2.725 1.00 0.00 O ATOM 392 CG2 THR A 28 -6.859 4.649 -5.121 1.00 0.00 C ATOM 0 H THR A 28 -4.416 4.469 -1.989 1.00 0.00 H new ATOM 0 HA THR A 28 -5.015 2.883 -4.195 1.00 0.00 H new ATOM 0 HB THR A 28 -5.672 5.828 -3.797 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.370 4.841 -1.930 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.743 5.278 -5.017 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.294 4.960 -6.000 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.165 3.609 -5.236 1.00 0.00 H new ATOM 400 N TYR A 29 -2.974 5.373 -4.824 1.00 0.00 N ATOM 401 CA TYR A 29 -2.069 5.973 -5.801 1.00 0.00 C ATOM 402 C TYR A 29 -1.159 4.931 -6.462 1.00 0.00 C ATOM 403 O TYR A 29 -0.895 5.002 -7.663 1.00 0.00 O ATOM 404 CB TYR A 29 -1.235 7.055 -5.104 1.00 0.00 C ATOM 405 CG TYR A 29 -0.105 7.626 -5.933 1.00 0.00 C ATOM 406 CD1 TYR A 29 -0.348 8.525 -6.962 1.00 0.00 C ATOM 407 CD2 TYR A 29 1.213 7.277 -5.664 1.00 0.00 C ATOM 408 CE1 TYR A 29 0.690 9.058 -7.701 1.00 0.00 C ATOM 409 CE2 TYR A 29 2.254 7.804 -6.399 1.00 0.00 C ATOM 410 CZ TYR A 29 1.990 8.693 -7.415 1.00 0.00 C ATOM 411 OH TYR A 29 3.030 9.223 -8.144 1.00 0.00 O ATOM 0 H TYR A 29 -2.881 5.759 -3.885 1.00 0.00 H new ATOM 0 HA TYR A 29 -2.665 6.416 -6.598 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.897 7.869 -4.810 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.818 6.637 -4.188 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.364 8.812 -7.188 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.426 6.581 -4.866 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.485 9.757 -8.499 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.272 7.520 -6.178 1.00 0.00 H new ATOM 0 HH TYR A 29 3.879 8.862 -7.813 1.00 0.00 H new ATOM 421 N THR A 30 -0.697 3.961 -5.687 1.00 0.00 N ATOM 422 CA THR A 30 0.259 2.982 -6.191 1.00 0.00 C ATOM 423 C THR A 30 -0.408 1.626 -6.461 1.00 0.00 C ATOM 424 O THR A 30 0.244 0.676 -6.895 1.00 0.00 O ATOM 425 CB THR A 30 1.442 2.812 -5.208 1.00 0.00 C ATOM 426 OG1 THR A 30 2.446 1.952 -5.760 1.00 0.00 O ATOM 427 CG2 THR A 30 0.969 2.252 -3.875 1.00 0.00 C ATOM 0 H THR A 30 -0.966 3.830 -4.712 1.00 0.00 H new ATOM 0 HA THR A 30 0.642 3.361 -7.138 1.00 0.00 H new ATOM 0 HB THR A 30 1.873 3.799 -5.042 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.025 1.300 -6.358 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.821 2.143 -3.203 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.242 2.933 -3.432 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.505 1.279 -4.033 1.00 0.00 H new ATOM 435 N GLY A 31 -1.711 1.540 -6.220 1.00 0.00 N ATOM 436 CA GLY A 31 -2.416 0.285 -6.433 1.00 0.00 C ATOM 437 C GLY A 31 -2.336 -0.627 -5.226 1.00 0.00 C ATOM 438 O GLY A 31 -2.545 -1.839 -5.327 1.00 0.00 O ATOM 0 H GLY A 31 -2.290 2.309 -5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.462 0.492 -6.662 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.995 -0.224 -7.300 1.00 0.00 H new ATOM 442 N CYS A 32 -2.024 -0.039 -4.084 1.00 0.00 N ATOM 443 CA CYS A 32 -1.941 -0.769 -2.833 1.00 0.00 C ATOM 444 C CYS A 32 -3.304 -0.748 -2.164 1.00 0.00 C ATOM 445 O CYS A 32 -4.048 0.222 -2.307 1.00 0.00 O ATOM 446 CB CYS A 32 -0.884 -0.123 -1.937 1.00 0.00 C ATOM 447 SG CYS A 32 -0.556 -0.991 -0.372 1.00 0.00 S ATOM 0 H CYS A 32 -1.821 0.957 -3.999 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.651 -1.804 -3.014 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.049 -0.052 -2.496 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.198 0.896 -1.710 1.00 0.00 H new ATOM 452 N ILE A 33 -3.644 -1.802 -1.445 1.00 0.00 N ATOM 453 CA ILE A 33 -4.976 -1.900 -0.873 1.00 0.00 C ATOM 454 C ILE A 33 -4.942 -1.930 0.646 1.00 0.00 C ATOM 455 O ILE A 33 -4.095 -2.590 1.257 1.00 0.00 O ATOM 456 CB ILE A 33 -5.749 -3.136 -1.386 1.00 0.00 C ATOM 457 CG1 ILE A 33 -4.980 -4.429 -1.088 1.00 0.00 C ATOM 458 CG2 ILE A 33 -6.026 -3.002 -2.878 1.00 0.00 C ATOM 459 CD1 ILE A 33 -5.739 -5.687 -1.453 1.00 0.00 C ATOM 0 H ILE A 33 -3.029 -2.591 -1.245 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.500 -1.002 -1.200 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.702 -3.188 -0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.036 -4.414 -1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.734 -4.459 -0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.571 -3.879 -3.227 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.623 -2.108 -3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.082 -2.923 -3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.132 -6.560 -1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.671 -5.727 -0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.961 -5.681 -2.520 1.00 0.00 H new ATOM 471 N ILE A 34 -5.861 -1.189 1.245 1.00 0.00 N ATOM 472 CA ILE A 34 -6.065 -1.224 2.679 1.00 0.00 C ATOM 473 C ILE A 34 -7.385 -1.913 2.975 1.00 0.00 C ATOM 474 O ILE A 34 -8.457 -1.323 2.824 1.00 0.00 O ATOM 475 CB ILE A 34 -6.074 0.188 3.303 1.00 0.00 C ATOM 476 CG1 ILE A 34 -4.789 0.932 2.941 1.00 0.00 C ATOM 477 CG2 ILE A 34 -6.234 0.102 4.819 1.00 0.00 C ATOM 478 CD1 ILE A 34 -4.780 2.379 3.379 1.00 0.00 C ATOM 0 H ILE A 34 -6.483 -0.550 0.750 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.234 -1.773 3.121 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.922 0.742 2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.942 0.419 3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.646 0.888 1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.238 1.107 5.242 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.173 -0.396 5.058 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.405 -0.466 5.241 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.837 2.841 3.088 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.606 2.908 2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.891 2.432 4.462 1.00 0.00 H new ATOM 490 N ILE A 35 -7.307 -3.169 3.358 1.00 0.00 N ATOM 491 CA ILE A 35 -8.497 -3.950 3.642 1.00 0.00 C ATOM 492 C ILE A 35 -8.870 -3.830 5.113 1.00 0.00 C ATOM 493 O ILE A 35 -8.006 -3.611 5.961 1.00 0.00 O ATOM 494 CB ILE A 35 -8.318 -5.440 3.274 1.00 0.00 C ATOM 495 CG1 ILE A 35 -7.178 -6.068 4.083 1.00 0.00 C ATOM 496 CG2 ILE A 35 -8.062 -5.586 1.780 1.00 0.00 C ATOM 497 CD1 ILE A 35 -7.019 -7.557 3.860 1.00 0.00 C ATOM 0 H ILE A 35 -6.430 -3.675 3.481 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.299 -3.547 3.024 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.238 -5.970 3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.244 -5.569 3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.354 -5.885 5.143 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.938 -6.640 1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.908 -5.181 1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.157 -5.041 1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.193 -7.929 4.466 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.938 -8.068 4.146 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.811 -7.747 2.807 1.00 0.00 H new ATOM 509 N PRO A 36 -10.165 -3.962 5.437 1.00 0.00 N ATOM 510 CA PRO A 36 -10.652 -3.887 6.818 1.00 0.00 C ATOM 511 C PRO A 36 -10.277 -5.123 7.636 1.00 0.00 C ATOM 512 O PRO A 36 -10.641 -5.239 8.808 1.00 0.00 O ATOM 513 CB PRO A 36 -12.179 -3.792 6.670 1.00 0.00 C ATOM 514 CG PRO A 36 -12.429 -3.556 5.217 1.00 0.00 C ATOM 515 CD PRO A 36 -11.267 -4.162 4.490 1.00 0.00 C ATOM 0 HA PRO A 36 -10.212 -3.043 7.350 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.663 -4.709 7.007 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -12.581 -2.979 7.274 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.367 -4.015 4.904 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.509 -2.490 5.004 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.429 -5.218 4.273 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.080 -3.666 3.538 1.00 0.00 H new ATOM 523 N GLY A 37 -9.563 -6.045 7.005 1.00 0.00 N ATOM 524 CA GLY A 37 -9.098 -7.235 7.687 1.00 0.00 C ATOM 525 C GLY A 37 -7.611 -7.172 7.964 1.00 0.00 C ATOM 526 O GLY A 37 -6.933 -6.242 7.526 1.00 0.00 O ATOM 0 H GLY A 37 -9.296 -5.988 6.022 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.639 -7.352 8.626 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.319 -8.113 7.080 1.00 0.00 H new ATOM 530 N ALA A 38 -7.097 -8.157 8.680 1.00 0.00 N ATOM 531 CA ALA A 38 -5.692 -8.169 9.055 1.00 0.00 C ATOM 532 C ALA A 38 -4.848 -8.893 8.017 1.00 0.00 C ATOM 533 O ALA A 38 -3.819 -8.381 7.573 1.00 0.00 O ATOM 534 CB ALA A 38 -5.522 -8.813 10.421 1.00 0.00 C ATOM 0 H ALA A 38 -7.631 -8.959 9.014 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.345 -7.137 9.103 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.466 -8.817 10.693 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.085 -8.247 11.163 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.892 -9.838 10.389 1.00 0.00 H new ATOM 540 N THR A 39 -5.296 -10.077 7.628 1.00 0.00 N ATOM 541 CA THR A 39 -4.533 -10.935 6.737 1.00 0.00 C ATOM 542 C THR A 39 -4.877 -10.682 5.271 1.00 0.00 C ATOM 543 O THR A 39 -6.043 -10.725 4.877 1.00 0.00 O ATOM 544 CB THR A 39 -4.783 -12.418 7.078 1.00 0.00 C ATOM 545 OG1 THR A 39 -4.454 -12.660 8.455 1.00 0.00 O ATOM 546 CG2 THR A 39 -3.957 -13.338 6.188 1.00 0.00 C ATOM 0 H THR A 39 -6.192 -10.467 7.919 1.00 0.00 H new ATOM 0 HA THR A 39 -3.479 -10.698 6.882 1.00 0.00 H new ATOM 0 HB THR A 39 -5.838 -12.632 6.905 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.615 -13.603 8.669 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.156 -14.376 6.454 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.226 -13.173 5.145 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.897 -13.124 6.328 1.00 0.00 H new ATOM 554 N CYS A 40 -3.854 -10.409 4.475 1.00 0.00 N ATOM 555 CA CYS A 40 -4.012 -10.226 3.039 1.00 0.00 C ATOM 556 C CYS A 40 -3.486 -11.456 2.307 1.00 0.00 C ATOM 557 O CYS A 40 -2.719 -12.236 2.877 1.00 0.00 O ATOM 558 CB CYS A 40 -3.229 -8.997 2.569 1.00 0.00 C ATOM 559 SG CYS A 40 -3.451 -7.509 3.592 1.00 0.00 S ATOM 0 H CYS A 40 -2.894 -10.308 4.804 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.070 -10.084 2.821 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.169 -9.248 2.544 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.526 -8.765 1.546 1.00 0.00 H new ATOM 564 N PRO A 41 -3.896 -11.662 1.042 1.00 0.00 N ATOM 565 CA PRO A 41 -3.326 -12.715 0.198 1.00 0.00 C ATOM 566 C PRO A 41 -1.827 -12.506 -0.003 1.00 0.00 C ATOM 567 O PRO A 41 -1.402 -11.432 -0.427 1.00 0.00 O ATOM 568 CB PRO A 41 -4.077 -12.571 -1.134 1.00 0.00 C ATOM 569 CG PRO A 41 -4.674 -11.206 -1.103 1.00 0.00 C ATOM 570 CD PRO A 41 -4.948 -10.908 0.343 1.00 0.00 C ATOM 0 HA PRO A 41 -3.434 -13.706 0.639 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.401 -12.685 -1.981 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.848 -13.335 -1.236 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.991 -10.472 -1.530 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.592 -11.168 -1.690 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.887 -9.840 0.554 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.944 -11.235 0.641 1.00 0.00 H new ATOM 578 N GLY A 42 -1.039 -13.535 0.294 1.00 0.00 N ATOM 579 CA GLY A 42 0.414 -13.428 0.247 1.00 0.00 C ATOM 580 C GLY A 42 0.942 -12.976 -1.101 1.00 0.00 C ATOM 581 O GLY A 42 1.971 -12.301 -1.178 1.00 0.00 O ATOM 0 H GLY A 42 -1.384 -14.454 0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.744 -12.725 1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.850 -14.396 0.494 1.00 0.00 H new ATOM 585 N ASP A 43 0.238 -13.340 -2.162 1.00 0.00 N ATOM 586 CA ASP A 43 0.631 -12.958 -3.518 1.00 0.00 C ATOM 587 C ASP A 43 0.514 -11.448 -3.730 1.00 0.00 C ATOM 588 O ASP A 43 1.220 -10.868 -4.554 1.00 0.00 O ATOM 589 CB ASP A 43 -0.239 -13.696 -4.538 1.00 0.00 C ATOM 590 CG ASP A 43 0.066 -13.298 -5.967 1.00 0.00 C ATOM 591 OD1 ASP A 43 1.056 -13.808 -6.532 1.00 0.00 O ATOM 592 OD2 ASP A 43 -0.696 -12.488 -6.539 1.00 0.00 O ATOM 0 H ASP A 43 -0.612 -13.902 -2.114 1.00 0.00 H new ATOM 0 HA ASP A 43 1.675 -13.237 -3.657 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.091 -14.770 -4.425 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.289 -13.495 -4.326 1.00 0.00 H new ATOM 597 N TYR A 44 -0.362 -10.818 -2.965 1.00 0.00 N ATOM 598 CA TYR A 44 -0.623 -9.395 -3.114 1.00 0.00 C ATOM 599 C TYR A 44 -0.254 -8.665 -1.823 1.00 0.00 C ATOM 600 O TYR A 44 -0.708 -7.551 -1.564 1.00 0.00 O ATOM 601 CB TYR A 44 -2.105 -9.184 -3.447 1.00 0.00 C ATOM 602 CG TYR A 44 -2.403 -7.904 -4.202 1.00 0.00 C ATOM 603 CD1 TYR A 44 -2.113 -7.797 -5.556 1.00 0.00 C ATOM 604 CD2 TYR A 44 -2.989 -6.812 -3.571 1.00 0.00 C ATOM 605 CE1 TYR A 44 -2.396 -6.641 -6.258 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.273 -5.651 -4.267 1.00 0.00 C ATOM 607 CZ TYR A 44 -2.975 -5.570 -5.613 1.00 0.00 C ATOM 608 OH TYR A 44 -3.261 -4.417 -6.319 1.00 0.00 O ATOM 0 H TYR A 44 -0.907 -11.271 -2.231 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.017 -8.991 -3.925 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.456 -10.030 -4.038 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.677 -9.185 -2.519 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.658 -8.632 -6.069 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.226 -6.872 -2.519 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.164 -6.577 -7.311 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.726 -4.812 -3.760 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.940 -3.638 -5.818 1.00 0.00 H new ATOM 618 N ALA A 45 0.582 -9.303 -1.014 1.00 0.00 N ATOM 619 CA ALA A 45 0.949 -8.746 0.275 1.00 0.00 C ATOM 620 C ALA A 45 2.439 -8.446 0.360 1.00 0.00 C ATOM 621 O ALA A 45 3.236 -9.283 0.788 1.00 0.00 O ATOM 622 CB ALA A 45 0.532 -9.679 1.403 1.00 0.00 C ATOM 0 H ALA A 45 1.015 -10.201 -1.229 1.00 0.00 H new ATOM 0 HA ALA A 45 0.415 -7.802 0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.817 -9.242 2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.548 -9.822 1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.029 -10.642 1.281 1.00 0.00 H new ATOM 628 N ASN A 46 2.807 -7.260 -0.077 1.00 0.00 N ATOM 629 CA ASN A 46 4.151 -6.749 0.123 1.00 0.00 C ATOM 630 C ASN A 46 4.076 -5.460 0.914 1.00 0.00 C ATOM 631 O ASN A 46 4.366 -5.496 2.123 1.00 0.00 O ATOM 632 CB ASN A 46 4.879 -6.528 -1.204 1.00 0.00 C ATOM 633 CG ASN A 46 5.443 -7.814 -1.778 1.00 0.00 C ATOM 634 OD1 ASN A 46 6.565 -8.206 -1.464 1.00 0.00 O ATOM 635 ND2 ASN A 46 4.681 -8.469 -2.637 1.00 0.00 N ATOM 636 OXT ASN A 46 3.658 -4.432 0.344 1.00 0.00 O ATOM 0 H ASN A 46 2.188 -6.624 -0.579 1.00 0.00 H new ATOM 0 HA ASN A 46 4.726 -7.490 0.679 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.190 -6.084 -1.923 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.689 -5.814 -1.056 1.00 0.00 H new ATOM 0 HD21 ASN A 46 5.019 -9.331 -3.064 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.755 -8.112 -2.873 1.00 0.00 H new TER 643 ASN A 46