USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 441 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 Set 1.1: A 4 LYS NZ :NH3+ 162:sc= 1.2 (180deg=1) USER MOD Set 1.2: B 14 MET CE :methyl -175:sc=-0.00626 (180deg=-0.00626) USER MOD Single : A 3 THR OG1 : rot -46:sc= 0.132 USER MOD Single : A 6 GLN : amide:sc= -0.0665 X(o=-0.067,f=-0.097) USER MOD Single : A 14 MET CE :methyl -113:sc= 0 (180deg=-0.527) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0732 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 90:sc= 0.214 USER MOD Single : A 26 MET CE :methyl 170:sc= -0.804 (180deg=-0.985) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 THR OG1 : rot -56:sc= -0.113 USER MOD Single : B 4 LYS NZ :NH3+ 177:sc= 1.04 (180deg=1.03) USER MOD Single : B 6 GLN : amide:sc= -0.0833 K(o=-0.083,f=-1.4) USER MOD Single : B 15 SER OG : rot 180:sc= 0.056 USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 24 SER OG : rot 88:sc= 0.118 USER MOD Single : B 26 MET CE :methyl 175:sc= -2.55! (180deg=-2.91!) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 0.543 -0.593 -12.062 1.00 0.00 N ATOM 32 CA THR A 3 -0.839 -0.259 -12.363 1.00 0.00 C ATOM 33 C THR A 3 -1.690 -0.315 -11.092 1.00 0.00 C ATOM 34 O THR A 3 -1.311 -0.961 -10.116 1.00 0.00 O ATOM 35 CB THR A 3 -1.326 -1.205 -13.462 1.00 0.00 C ATOM 36 OG1 THR A 3 -1.092 -2.506 -12.930 1.00 0.00 O ATOM 37 CG2 THR A 3 -0.446 -1.151 -14.713 1.00 0.00 C ATOM 0 HA THR A 3 -0.927 0.763 -12.731 1.00 0.00 H new ATOM 0 HB THR A 3 -2.353 -0.953 -13.728 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.190 -2.546 -12.548 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.835 -1.841 -15.462 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.449 -0.138 -15.116 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.574 -1.435 -14.453 1.00 0.00 H new ATOM 45 N LYS A 4 -2.823 0.369 -11.146 1.00 0.00 N ATOM 46 CA LYS A 4 -3.731 0.404 -10.012 1.00 0.00 C ATOM 47 C LYS A 4 -4.208 -1.016 -9.702 1.00 0.00 C ATOM 48 O LYS A 4 -4.244 -1.423 -8.542 1.00 0.00 O ATOM 49 CB LYS A 4 -4.869 1.394 -10.268 1.00 0.00 C ATOM 50 CG LYS A 4 -4.470 2.810 -9.849 1.00 0.00 C ATOM 51 CD LYS A 4 -3.646 3.494 -10.942 1.00 0.00 C ATOM 52 CE LYS A 4 -2.147 3.311 -10.693 1.00 0.00 C ATOM 53 NZ LYS A 4 -1.432 4.595 -10.871 1.00 0.00 N ATOM 0 H LYS A 4 -3.133 0.904 -11.957 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.217 0.768 -9.123 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.132 1.385 -11.326 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.756 1.084 -9.716 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.365 3.397 -9.642 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.893 2.771 -8.925 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.910 3.079 -11.915 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.886 4.557 -10.972 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.983 2.934 -9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.746 2.566 -11.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.499 4.539 -10.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.311 4.787 -11.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.983 5.362 -10.437 1.00 0.00 H new ATOM 67 N ASP A 5 -4.564 -1.731 -10.759 1.00 0.00 N ATOM 68 CA ASP A 5 -5.061 -3.088 -10.612 1.00 0.00 C ATOM 69 C ASP A 5 -4.027 -3.926 -9.858 1.00 0.00 C ATOM 70 O ASP A 5 -4.383 -4.721 -8.989 1.00 0.00 O ATOM 71 CB ASP A 5 -5.294 -3.740 -11.977 1.00 0.00 C ATOM 72 CG ASP A 5 -5.980 -2.847 -13.012 1.00 0.00 C ATOM 73 OD1 ASP A 5 -7.005 -2.234 -12.642 1.00 0.00 O ATOM 74 OD2 ASP A 5 -5.465 -2.797 -14.149 1.00 0.00 O ATOM 0 H ASP A 5 -4.518 -1.396 -11.721 1.00 0.00 H new ATOM 0 HA ASP A 5 -6.004 -3.045 -10.067 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.333 -4.062 -12.378 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.897 -4.637 -11.836 1.00 0.00 H new ATOM 79 N GLN A 6 -2.769 -3.719 -10.216 1.00 0.00 N ATOM 80 CA GLN A 6 -1.685 -4.474 -9.611 1.00 0.00 C ATOM 81 C GLN A 6 -1.683 -4.278 -8.094 1.00 0.00 C ATOM 82 O GLN A 6 -1.229 -5.147 -7.352 1.00 0.00 O ATOM 83 CB GLN A 6 -0.336 -4.078 -10.216 1.00 0.00 C ATOM 84 CG GLN A 6 -0.025 -4.916 -11.458 1.00 0.00 C ATOM 85 CD GLN A 6 0.459 -6.315 -11.067 1.00 0.00 C ATOM 86 OE1 GLN A 6 -0.282 -7.283 -11.086 1.00 0.00 O ATOM 87 NE2 GLN A 6 1.740 -6.365 -10.713 1.00 0.00 N ATOM 0 H GLN A 6 -2.476 -3.039 -10.918 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.844 -5.532 -9.821 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.348 -3.021 -10.480 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.452 -4.213 -9.475 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.917 -4.996 -12.080 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.737 -4.417 -12.056 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.304 -5.515 -10.719 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.158 -7.253 -10.435 1.00 0.00 H new ATOM 96 N ILE A 7 -2.198 -3.130 -7.677 1.00 0.00 N ATOM 97 CA ILE A 7 -2.254 -2.805 -6.262 1.00 0.00 C ATOM 98 C ILE A 7 -3.440 -3.530 -5.624 1.00 0.00 C ATOM 99 O ILE A 7 -3.399 -3.875 -4.444 1.00 0.00 O ATOM 100 CB ILE A 7 -2.280 -1.288 -6.062 1.00 0.00 C ATOM 101 CG1 ILE A 7 -1.042 -0.632 -6.677 1.00 0.00 C ATOM 102 CG2 ILE A 7 -2.441 -0.934 -4.582 1.00 0.00 C ATOM 103 CD1 ILE A 7 0.229 -1.067 -5.946 1.00 0.00 C ATOM 0 H ILE A 7 -2.580 -2.414 -8.295 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.355 -3.155 -5.754 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.149 -0.889 -6.586 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.970 -0.900 -7.731 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.140 0.453 -6.630 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.457 0.150 -4.467 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.375 -1.352 -4.207 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.606 -1.347 -4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.094 -0.586 -6.403 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.164 -0.776 -4.898 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.336 -2.149 -6.016 1.00 0.00 H new ATOM 115 N ILE A 8 -4.469 -3.740 -6.432 1.00 0.00 N ATOM 116 CA ILE A 8 -5.677 -4.389 -5.952 1.00 0.00 C ATOM 117 C ILE A 8 -5.334 -5.797 -5.460 1.00 0.00 C ATOM 118 O ILE A 8 -5.695 -6.174 -4.346 1.00 0.00 O ATOM 119 CB ILE A 8 -6.764 -4.362 -7.028 1.00 0.00 C ATOM 120 CG1 ILE A 8 -7.046 -2.929 -7.486 1.00 0.00 C ATOM 121 CG2 ILE A 8 -8.032 -5.069 -6.546 1.00 0.00 C ATOM 122 CD1 ILE A 8 -7.630 -2.094 -6.346 1.00 0.00 C ATOM 0 H ILE A 8 -4.491 -3.472 -7.416 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.089 -3.845 -5.102 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.399 -4.912 -7.895 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.124 -2.469 -7.843 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.741 -2.942 -8.325 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.788 -5.035 -7.330 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.802 -6.108 -6.309 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.411 -4.569 -5.655 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.821 -1.080 -6.698 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.564 -2.543 -6.008 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.922 -2.063 -5.518 1.00 0.00 H new ATOM 134 N GLU A 9 -4.641 -6.535 -6.314 1.00 0.00 N ATOM 135 CA GLU A 9 -4.266 -7.901 -5.990 1.00 0.00 C ATOM 136 C GLU A 9 -3.270 -7.917 -4.829 1.00 0.00 C ATOM 137 O GLU A 9 -3.079 -8.946 -4.184 1.00 0.00 O ATOM 138 CB GLU A 9 -3.693 -8.617 -7.215 1.00 0.00 C ATOM 139 CG GLU A 9 -2.262 -8.157 -7.499 1.00 0.00 C ATOM 140 CD GLU A 9 -1.245 -9.173 -6.976 1.00 0.00 C ATOM 141 OE1 GLU A 9 -1.163 -10.260 -7.588 1.00 0.00 O ATOM 142 OE2 GLU A 9 -0.573 -8.840 -5.977 1.00 0.00 O ATOM 0 H GLU A 9 -4.329 -6.213 -7.230 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.162 -8.440 -5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.707 -9.694 -7.050 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.321 -8.419 -8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.126 -8.021 -8.572 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.088 -7.189 -7.030 1.00 0.00 H new ATOM 149 N ALA A 10 -2.660 -6.763 -4.599 1.00 0.00 N ATOM 150 CA ALA A 10 -1.671 -6.637 -3.542 1.00 0.00 C ATOM 151 C ALA A 10 -2.383 -6.587 -2.188 1.00 0.00 C ATOM 152 O ALA A 10 -1.863 -7.085 -1.191 1.00 0.00 O ATOM 153 CB ALA A 10 -0.809 -5.399 -3.794 1.00 0.00 C ATOM 0 H ALA A 10 -2.832 -5.907 -5.127 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.006 -7.500 -3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.067 -5.305 -3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.303 -5.497 -4.754 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.442 -4.512 -3.806 1.00 0.00 H new ATOM 159 N VAL A 11 -3.561 -5.980 -2.197 1.00 0.00 N ATOM 160 CA VAL A 11 -4.346 -5.854 -0.981 1.00 0.00 C ATOM 161 C VAL A 11 -5.106 -7.159 -0.732 1.00 0.00 C ATOM 162 O VAL A 11 -5.545 -7.422 0.386 1.00 0.00 O ATOM 163 CB VAL A 11 -5.267 -4.636 -1.077 1.00 0.00 C ATOM 164 CG1 VAL A 11 -6.375 -4.702 -0.024 1.00 0.00 C ATOM 165 CG2 VAL A 11 -4.470 -3.336 -0.953 1.00 0.00 C ATOM 0 H VAL A 11 -3.990 -5.570 -3.027 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.696 -5.687 -0.122 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.738 -4.648 -2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.015 -3.825 -0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.970 -5.602 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.930 -4.726 0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.148 -2.485 -1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.959 -3.313 0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.734 -3.282 -1.756 1.00 0.00 H new ATOM 175 N ALA A 12 -5.237 -7.942 -1.793 1.00 0.00 N ATOM 176 CA ALA A 12 -5.911 -9.226 -1.697 1.00 0.00 C ATOM 177 C ALA A 12 -4.887 -10.308 -1.348 1.00 0.00 C ATOM 178 O ALA A 12 -5.233 -11.484 -1.243 1.00 0.00 O ATOM 179 CB ALA A 12 -6.644 -9.517 -3.008 1.00 0.00 C ATOM 0 H ALA A 12 -4.888 -7.712 -2.723 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.658 -9.210 -0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.150 -10.480 -2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.379 -8.734 -3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.926 -9.544 -3.828 1.00 0.00 H new ATOM 185 N ALA A 13 -3.648 -9.873 -1.178 1.00 0.00 N ATOM 186 CA ALA A 13 -2.573 -10.789 -0.835 1.00 0.00 C ATOM 187 C ALA A 13 -2.276 -10.683 0.662 1.00 0.00 C ATOM 188 O ALA A 13 -1.736 -11.614 1.258 1.00 0.00 O ATOM 189 CB ALA A 13 -1.346 -10.482 -1.696 1.00 0.00 C ATOM 0 H ALA A 13 -3.364 -8.898 -1.271 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.866 -11.818 -1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.540 -11.169 -1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.602 -10.601 -2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.021 -9.457 -1.515 1.00 0.00 H new ATOM 195 N MET A 14 -2.642 -9.542 1.226 1.00 0.00 N ATOM 196 CA MET A 14 -2.390 -9.289 2.634 1.00 0.00 C ATOM 197 C MET A 14 -3.589 -9.705 3.489 1.00 0.00 C ATOM 198 O MET A 14 -4.661 -9.995 2.961 1.00 0.00 O ATOM 199 CB MET A 14 -2.107 -7.800 2.843 1.00 0.00 C ATOM 200 CG MET A 14 -0.903 -7.350 2.013 1.00 0.00 C ATOM 201 SD MET A 14 -1.002 -5.596 1.695 1.00 0.00 S ATOM 202 CE MET A 14 0.708 -5.252 1.318 1.00 0.00 C ATOM 0 H MET A 14 -3.111 -8.782 0.733 1.00 0.00 H new ATOM 0 HA MET A 14 -1.526 -9.879 2.941 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.984 -7.217 2.564 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.918 -7.607 3.899 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.021 -7.580 2.543 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.875 -7.898 1.071 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.133 -4.620 2.098 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.265 -6.188 1.266 1.00 0.00 H new ATOM 0 HE3 MET A 14 0.773 -4.738 0.359 1.00 0.00 H new ATOM 212 N SER A 15 -3.367 -9.721 4.795 1.00 0.00 N ATOM 213 CA SER A 15 -4.418 -10.089 5.729 1.00 0.00 C ATOM 214 C SER A 15 -5.354 -8.901 5.957 1.00 0.00 C ATOM 215 O SER A 15 -4.986 -7.756 5.697 1.00 0.00 O ATOM 216 CB SER A 15 -3.831 -10.565 7.059 1.00 0.00 C ATOM 217 OG SER A 15 -2.533 -10.027 7.293 1.00 0.00 O ATOM 0 H SER A 15 -2.475 -9.485 5.229 1.00 0.00 H new ATOM 0 HA SER A 15 -4.986 -10.914 5.298 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.496 -10.275 7.873 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.778 -11.654 7.063 1.00 0.00 H new ATOM 0 HG SER A 15 -2.194 -10.353 8.153 1.00 0.00 H new ATOM 223 N VAL A 16 -6.548 -9.213 6.440 1.00 0.00 N ATOM 224 CA VAL A 16 -7.541 -8.186 6.702 1.00 0.00 C ATOM 225 C VAL A 16 -6.947 -7.134 7.641 1.00 0.00 C ATOM 226 O VAL A 16 -7.089 -5.936 7.407 1.00 0.00 O ATOM 227 CB VAL A 16 -8.821 -8.822 7.249 1.00 0.00 C ATOM 228 CG1 VAL A 16 -9.794 -7.753 7.749 1.00 0.00 C ATOM 229 CG2 VAL A 16 -9.481 -9.717 6.198 1.00 0.00 C ATOM 0 H VAL A 16 -6.850 -10.163 6.657 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.816 -7.677 5.778 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.548 -9.449 8.098 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.695 -8.232 8.132 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.323 -7.176 8.545 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.058 -7.088 6.927 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.388 -10.157 6.612 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.734 -9.122 5.320 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.791 -10.511 5.911 1.00 0.00 H new ATOM 239 N MET A 17 -6.294 -7.622 8.686 1.00 0.00 N ATOM 240 CA MET A 17 -5.683 -6.740 9.665 1.00 0.00 C ATOM 241 C MET A 17 -4.663 -5.810 9.005 1.00 0.00 C ATOM 242 O MET A 17 -4.650 -4.609 9.271 1.00 0.00 O ATOM 243 CB MET A 17 -4.989 -7.576 10.743 1.00 0.00 C ATOM 244 CG MET A 17 -5.930 -7.844 11.919 1.00 0.00 C ATOM 245 SD MET A 17 -6.083 -6.377 12.925 1.00 0.00 S ATOM 246 CE MET A 17 -7.253 -6.957 14.143 1.00 0.00 C ATOM 0 H MET A 17 -6.175 -8.617 8.876 1.00 0.00 H new ATOM 0 HA MET A 17 -6.466 -6.129 10.114 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.656 -8.522 10.316 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.099 -7.055 11.096 1.00 0.00 H new ATOM 0 HG2 MET A 17 -6.910 -8.146 11.550 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.548 -8.669 12.520 1.00 0.00 H new ATOM 0 HE1 MET A 17 -7.462 -6.159 14.856 1.00 0.00 H new ATOM 0 HE2 MET A 17 -8.178 -7.253 13.647 1.00 0.00 H new ATOM 0 HE3 MET A 17 -6.834 -7.814 14.671 1.00 0.00 H new ATOM 256 N ASP A 18 -3.834 -6.400 8.157 1.00 0.00 N ATOM 257 CA ASP A 18 -2.781 -5.649 7.494 1.00 0.00 C ATOM 258 C ASP A 18 -3.406 -4.517 6.676 1.00 0.00 C ATOM 259 O ASP A 18 -2.761 -3.500 6.424 1.00 0.00 O ATOM 260 CB ASP A 18 -1.987 -6.541 6.538 1.00 0.00 C ATOM 261 CG ASP A 18 -0.763 -5.878 5.902 1.00 0.00 C ATOM 262 OD1 ASP A 18 -0.978 -5.009 5.030 1.00 0.00 O ATOM 263 OD2 ASP A 18 0.359 -6.256 6.302 1.00 0.00 O ATOM 0 H ASP A 18 -3.870 -7.390 7.913 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.112 -5.257 8.260 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.660 -7.429 7.080 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.652 -6.879 5.744 1.00 0.00 H new ATOM 268 N VAL A 19 -4.653 -4.732 6.284 1.00 0.00 N ATOM 269 CA VAL A 19 -5.362 -3.754 5.476 1.00 0.00 C ATOM 270 C VAL A 19 -5.976 -2.693 6.391 1.00 0.00 C ATOM 271 O VAL A 19 -5.959 -1.505 6.070 1.00 0.00 O ATOM 272 CB VAL A 19 -6.397 -4.455 4.595 1.00 0.00 C ATOM 273 CG1 VAL A 19 -7.299 -3.437 3.893 1.00 0.00 C ATOM 274 CG2 VAL A 19 -5.719 -5.378 3.580 1.00 0.00 C ATOM 0 H VAL A 19 -5.191 -5.569 6.511 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.674 -3.244 4.802 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.024 -5.070 5.240 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.026 -3.962 3.273 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.823 -2.839 4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.692 -2.784 3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.478 -5.864 2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.056 -4.793 2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.139 -6.135 4.107 1.00 0.00 H new ATOM 284 N VAL A 20 -6.504 -3.159 7.514 1.00 0.00 N ATOM 285 CA VAL A 20 -7.115 -2.263 8.481 1.00 0.00 C ATOM 286 C VAL A 20 -6.076 -1.245 8.954 1.00 0.00 C ATOM 287 O VAL A 20 -6.396 -0.075 9.159 1.00 0.00 O ATOM 288 CB VAL A 20 -7.725 -3.071 9.629 1.00 0.00 C ATOM 289 CG1 VAL A 20 -8.019 -2.175 10.834 1.00 0.00 C ATOM 290 CG2 VAL A 20 -8.987 -3.806 9.172 1.00 0.00 C ATOM 0 H VAL A 20 -6.521 -4.145 7.775 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.932 -1.705 8.023 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.995 -3.819 9.937 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.452 -2.774 11.636 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.093 -1.718 11.182 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.722 -1.394 10.544 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.401 -4.372 10.006 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.724 -3.082 8.824 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.737 -4.488 8.359 1.00 0.00 H new ATOM 300 N GLU A 21 -4.852 -1.726 9.113 1.00 0.00 N ATOM 301 CA GLU A 21 -3.762 -0.871 9.552 1.00 0.00 C ATOM 302 C GLU A 21 -3.402 0.134 8.456 1.00 0.00 C ATOM 303 O GLU A 21 -3.203 1.316 8.734 1.00 0.00 O ATOM 304 CB GLU A 21 -2.542 -1.701 9.957 1.00 0.00 C ATOM 305 CG GLU A 21 -2.773 -2.395 11.300 1.00 0.00 C ATOM 306 CD GLU A 21 -1.461 -2.942 11.868 1.00 0.00 C ATOM 307 OE1 GLU A 21 -0.787 -3.686 11.123 1.00 0.00 O ATOM 308 OE2 GLU A 21 -1.162 -2.603 13.033 1.00 0.00 O ATOM 0 H GLU A 21 -4.591 -2.698 8.946 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.092 -0.318 10.432 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.334 -2.446 9.189 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.665 -1.057 10.022 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.214 -1.691 12.006 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.487 -3.209 11.175 1.00 0.00 H new ATOM 315 N LEU A 22 -3.330 -0.372 7.234 1.00 0.00 N ATOM 316 CA LEU A 22 -3.002 0.468 6.094 1.00 0.00 C ATOM 317 C LEU A 22 -3.970 1.652 6.044 1.00 0.00 C ATOM 318 O LEU A 22 -3.555 2.803 6.170 1.00 0.00 O ATOM 319 CB LEU A 22 -2.977 -0.360 4.808 1.00 0.00 C ATOM 320 CG LEU A 22 -2.506 0.371 3.549 1.00 0.00 C ATOM 321 CD1 LEU A 22 -0.985 0.536 3.548 1.00 0.00 C ATOM 322 CD2 LEU A 22 -3.006 -0.334 2.286 1.00 0.00 C ATOM 0 H LEU A 22 -3.493 -1.353 7.008 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.998 0.880 6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.330 -1.222 4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.981 -0.744 4.627 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.939 1.371 3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.676 1.058 2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.681 1.113 4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.512 -0.446 3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.657 0.206 1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.622 -1.354 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.096 -0.357 2.289 1.00 0.00 H new ATOM 334 N ILE A 23 -5.241 1.329 5.860 1.00 0.00 N ATOM 335 CA ILE A 23 -6.267 2.353 5.758 1.00 0.00 C ATOM 336 C ILE A 23 -6.159 3.297 6.958 1.00 0.00 C ATOM 337 O ILE A 23 -6.183 4.516 6.797 1.00 0.00 O ATOM 338 CB ILE A 23 -7.648 1.715 5.600 1.00 0.00 C ATOM 339 CG1 ILE A 23 -7.949 1.417 4.130 1.00 0.00 C ATOM 340 CG2 ILE A 23 -8.731 2.585 6.241 1.00 0.00 C ATOM 341 CD1 ILE A 23 -6.884 0.497 3.528 1.00 0.00 C ATOM 0 H ILE A 23 -5.584 0.372 5.779 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.116 2.956 4.862 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.646 0.762 6.129 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.930 0.949 4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.990 2.349 3.567 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.703 2.108 6.114 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.521 2.703 7.304 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.742 3.564 5.762 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.122 0.301 2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.908 0.978 3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.863 -0.444 4.078 1.00 0.00 H new ATOM 353 N SER A 24 -6.044 2.697 8.133 1.00 0.00 N ATOM 354 CA SER A 24 -5.959 3.469 9.362 1.00 0.00 C ATOM 355 C SER A 24 -4.796 4.459 9.279 1.00 0.00 C ATOM 356 O SER A 24 -4.910 5.596 9.733 1.00 0.00 O ATOM 357 CB SER A 24 -5.793 2.554 10.576 1.00 0.00 C ATOM 358 OG SER A 24 -7.045 2.080 11.064 1.00 0.00 O ATOM 0 H SER A 24 -6.008 1.686 8.261 1.00 0.00 H new ATOM 0 HA SER A 24 -6.890 4.023 9.483 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.164 1.705 10.307 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.276 3.094 11.369 1.00 0.00 H new ATOM 0 HG SER A 24 -7.276 1.241 10.612 1.00 0.00 H new ATOM 364 N ALA A 25 -3.702 3.990 8.697 1.00 0.00 N ATOM 365 CA ALA A 25 -2.517 4.818 8.552 1.00 0.00 C ATOM 366 C ALA A 25 -2.862 6.052 7.716 1.00 0.00 C ATOM 367 O ALA A 25 -2.820 7.176 8.215 1.00 0.00 O ATOM 368 CB ALA A 25 -1.388 3.992 7.933 1.00 0.00 C ATOM 0 H ALA A 25 -3.611 3.047 8.320 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.170 5.165 9.525 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.499 4.614 7.825 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.161 3.144 8.579 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.698 3.628 6.953 1.00 0.00 H new ATOM 374 N MET A 26 -3.196 5.801 6.459 1.00 0.00 N ATOM 375 CA MET A 26 -3.498 6.882 5.535 1.00 0.00 C ATOM 376 C MET A 26 -4.495 7.866 6.150 1.00 0.00 C ATOM 377 O MET A 26 -4.361 9.077 5.981 1.00 0.00 O ATOM 378 CB MET A 26 -4.082 6.302 4.245 1.00 0.00 C ATOM 379 CG MET A 26 -3.015 5.545 3.452 1.00 0.00 C ATOM 380 SD MET A 26 -3.767 4.696 2.073 1.00 0.00 S ATOM 381 CE MET A 26 -2.369 3.751 1.491 1.00 0.00 C ATOM 0 H MET A 26 -3.264 4.865 6.058 1.00 0.00 H new ATOM 0 HA MET A 26 -2.574 7.418 5.317 1.00 0.00 H new ATOM 0 HB2 MET A 26 -4.907 5.631 4.485 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.492 7.106 3.634 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.256 6.240 3.092 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.509 4.828 4.099 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.703 3.030 0.745 1.00 0.00 H new ATOM 0 HE2 MET A 26 -1.636 4.423 1.044 1.00 0.00 H new ATOM 0 HE3 MET A 26 -1.913 3.222 2.328 1.00 0.00 H new ATOM 391 N GLU A 27 -5.472 7.309 6.851 1.00 0.00 N ATOM 392 CA GLU A 27 -6.499 8.122 7.480 1.00 0.00 C ATOM 393 C GLU A 27 -5.859 9.247 8.297 1.00 0.00 C ATOM 394 O GLU A 27 -6.277 10.400 8.206 1.00 0.00 O ATOM 395 CB GLU A 27 -7.418 7.265 8.353 1.00 0.00 C ATOM 396 CG GLU A 27 -8.634 6.784 7.560 1.00 0.00 C ATOM 397 CD GLU A 27 -9.585 5.980 8.450 1.00 0.00 C ATOM 398 OE1 GLU A 27 -9.198 4.851 8.820 1.00 0.00 O ATOM 399 OE2 GLU A 27 -10.678 6.514 8.740 1.00 0.00 O ATOM 0 H GLU A 27 -5.574 6.305 6.997 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.110 8.571 6.697 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.866 6.407 8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.748 7.842 9.217 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.161 7.641 7.139 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.306 6.168 6.722 1.00 0.00 H new ATOM 406 N GLU A 28 -4.855 8.871 9.076 1.00 0.00 N ATOM 407 CA GLU A 28 -4.170 9.829 9.928 1.00 0.00 C ATOM 408 C GLU A 28 -3.152 10.630 9.114 1.00 0.00 C ATOM 409 O GLU A 28 -3.111 11.856 9.197 1.00 0.00 O ATOM 410 CB GLU A 28 -3.498 9.129 11.110 1.00 0.00 C ATOM 411 CG GLU A 28 -3.184 10.123 12.230 1.00 0.00 C ATOM 412 CD GLU A 28 -2.066 9.597 13.133 1.00 0.00 C ATOM 413 OE1 GLU A 28 -0.967 9.353 12.591 1.00 0.00 O ATOM 414 OE2 GLU A 28 -2.336 9.451 14.344 1.00 0.00 O ATOM 0 H GLU A 28 -4.500 7.917 9.135 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.909 10.521 10.331 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.150 8.342 11.490 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.578 8.648 10.777 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.889 11.080 11.800 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.081 10.303 12.823 1.00 0.00 H new ATOM 421 N LYS A 29 -2.354 9.904 8.345 1.00 0.00 N ATOM 422 CA LYS A 29 -1.312 10.528 7.547 1.00 0.00 C ATOM 423 C LYS A 29 -1.910 11.696 6.759 1.00 0.00 C ATOM 424 O LYS A 29 -1.569 12.852 7.003 1.00 0.00 O ATOM 425 CB LYS A 29 -0.614 9.488 6.668 1.00 0.00 C ATOM 426 CG LYS A 29 0.423 10.147 5.757 1.00 0.00 C ATOM 427 CD LYS A 29 1.829 10.025 6.348 1.00 0.00 C ATOM 428 CE LYS A 29 2.884 10.525 5.359 1.00 0.00 C ATOM 429 NZ LYS A 29 4.242 10.367 5.927 1.00 0.00 N ATOM 0 H LYS A 29 -2.408 8.889 8.257 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.535 10.940 8.191 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.129 8.742 7.297 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.353 8.963 6.063 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.397 9.680 4.773 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.173 11.199 5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.890 10.600 7.272 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.030 8.985 6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.807 9.969 4.424 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.702 11.573 5.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.946 10.711 5.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.316 10.916 6.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.419 9.362 6.130 1.00 0.00 H new ATOM 443 N PHE A 30 -2.791 11.353 5.831 1.00 0.00 N ATOM 444 CA PHE A 30 -3.419 12.356 4.988 1.00 0.00 C ATOM 445 C PHE A 30 -4.456 13.161 5.774 1.00 0.00 C ATOM 446 O PHE A 30 -4.953 14.178 5.291 1.00 0.00 O ATOM 447 CB PHE A 30 -4.123 11.610 3.853 1.00 0.00 C ATOM 448 CG PHE A 30 -3.169 11.004 2.822 1.00 0.00 C ATOM 449 CD1 PHE A 30 -2.695 11.768 1.802 1.00 0.00 C ATOM 450 CD2 PHE A 30 -2.796 9.700 2.924 1.00 0.00 C ATOM 451 CE1 PHE A 30 -1.810 11.206 0.845 1.00 0.00 C ATOM 452 CE2 PHE A 30 -1.911 9.137 1.966 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.437 9.902 0.947 1.00 0.00 C ATOM 0 H PHE A 30 -3.085 10.394 5.644 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.667 13.050 4.613 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.734 10.815 4.279 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.801 12.297 3.346 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.992 12.803 1.720 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.173 9.092 3.734 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.433 11.814 0.036 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.615 8.102 2.047 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.764 9.474 0.218 1.00 0.00 H new ATOM 463 N GLY A 31 -4.752 12.676 6.971 1.00 0.00 N ATOM 464 CA GLY A 31 -5.706 13.349 7.836 1.00 0.00 C ATOM 465 C GLY A 31 -6.959 13.757 7.058 1.00 0.00 C ATOM 466 O GLY A 31 -7.344 14.925 7.061 1.00 0.00 O ATOM 0 H GLY A 31 -4.348 11.825 7.362 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -5.983 12.691 8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.243 14.232 8.276 1.00 0.00 H new ATOM 568 N THR B 3 6.258 -2.290 2.800 1.00 0.00 N ATOM 569 CA THR B 3 5.646 -2.030 4.091 1.00 0.00 C ATOM 570 C THR B 3 4.401 -1.156 3.925 1.00 0.00 C ATOM 571 O THR B 3 4.249 -0.472 2.914 1.00 0.00 O ATOM 572 CB THR B 3 6.707 -1.409 5.002 1.00 0.00 C ATOM 573 OG1 THR B 3 7.209 -0.308 4.249 1.00 0.00 O ATOM 574 CG2 THR B 3 7.923 -2.319 5.188 1.00 0.00 C ATOM 0 HA THR B 3 5.298 -2.952 4.556 1.00 0.00 H new ATOM 0 HB THR B 3 6.267 -1.188 5.974 1.00 0.00 H new ATOM 0 HG1 THR B 3 7.541 -0.627 3.384 1.00 0.00 H new ATOM 0 HG21 THR B 3 8.646 -1.832 5.843 1.00 0.00 H new ATOM 0 HG22 THR B 3 7.607 -3.262 5.635 1.00 0.00 H new ATOM 0 HG23 THR B 3 8.384 -2.513 4.219 1.00 0.00 H new ATOM 582 N LYS B 4 3.543 -1.207 4.933 1.00 0.00 N ATOM 583 CA LYS B 4 2.317 -0.426 4.913 1.00 0.00 C ATOM 584 C LYS B 4 2.658 1.044 4.663 1.00 0.00 C ATOM 585 O LYS B 4 2.018 1.703 3.845 1.00 0.00 O ATOM 586 CB LYS B 4 1.510 -0.661 6.191 1.00 0.00 C ATOM 587 CG LYS B 4 0.617 -1.896 6.056 1.00 0.00 C ATOM 588 CD LYS B 4 1.277 -3.123 6.688 1.00 0.00 C ATOM 589 CE LYS B 4 0.552 -3.538 7.969 1.00 0.00 C ATOM 590 NZ LYS B 4 0.825 -2.570 9.055 1.00 0.00 N ATOM 0 H LYS B 4 3.672 -1.777 5.769 1.00 0.00 H new ATOM 0 HA LYS B 4 1.674 -0.749 4.094 1.00 0.00 H new ATOM 0 HB2 LYS B 4 2.188 -0.788 7.035 1.00 0.00 H new ATOM 0 HB3 LYS B 4 0.896 0.214 6.404 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -0.344 -1.708 6.535 1.00 0.00 H new ATOM 0 HG3 LYS B 4 0.415 -2.090 5.002 1.00 0.00 H new ATOM 0 HD2 LYS B 4 1.270 -3.950 5.978 1.00 0.00 H new ATOM 0 HD3 LYS B 4 2.321 -2.904 6.912 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -0.521 -3.594 7.785 1.00 0.00 H new ATOM 0 HE3 LYS B 4 0.876 -4.534 8.271 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 0.285 -2.838 9.903 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 1.841 -2.574 9.276 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 0.540 -1.617 8.750 1.00 0.00 H new ATOM 604 N ASP B 5 3.666 1.515 5.382 1.00 0.00 N ATOM 605 CA ASP B 5 4.069 2.908 5.284 1.00 0.00 C ATOM 606 C ASP B 5 4.520 3.205 3.853 1.00 0.00 C ATOM 607 O ASP B 5 4.154 4.231 3.283 1.00 0.00 O ATOM 608 CB ASP B 5 5.240 3.210 6.222 1.00 0.00 C ATOM 609 CG ASP B 5 4.854 3.446 7.683 1.00 0.00 C ATOM 610 OD1 ASP B 5 4.569 2.438 8.365 1.00 0.00 O ATOM 611 OD2 ASP B 5 4.852 4.630 8.086 1.00 0.00 O ATOM 0 H ASP B 5 4.216 0.957 6.035 1.00 0.00 H new ATOM 0 HA ASP B 5 3.215 3.526 5.562 1.00 0.00 H new ATOM 0 HB2 ASP B 5 5.945 2.380 6.178 1.00 0.00 H new ATOM 0 HB3 ASP B 5 5.763 4.092 5.853 1.00 0.00 H new ATOM 616 N GLN B 6 5.310 2.288 3.313 1.00 0.00 N ATOM 617 CA GLN B 6 5.844 2.455 1.973 1.00 0.00 C ATOM 618 C GLN B 6 4.708 2.685 0.974 1.00 0.00 C ATOM 619 O GLN B 6 4.893 3.361 -0.037 1.00 0.00 O ATOM 620 CB GLN B 6 6.696 1.251 1.567 1.00 0.00 C ATOM 621 CG GLN B 6 8.147 1.428 2.018 1.00 0.00 C ATOM 622 CD GLN B 6 8.892 2.396 1.098 1.00 0.00 C ATOM 623 OE1 GLN B 6 8.364 2.893 0.116 1.00 0.00 O ATOM 624 NE2 GLN B 6 10.147 2.637 1.468 1.00 0.00 N ATOM 0 H GLN B 6 5.593 1.427 3.780 1.00 0.00 H new ATOM 0 HA GLN B 6 6.490 3.333 1.968 1.00 0.00 H new ATOM 0 HB2 GLN B 6 6.283 0.344 2.008 1.00 0.00 H new ATOM 0 HB3 GLN B 6 6.661 1.125 0.485 1.00 0.00 H new ATOM 0 HG2 GLN B 6 8.170 1.802 3.041 1.00 0.00 H new ATOM 0 HG3 GLN B 6 8.651 0.462 2.020 1.00 0.00 H new ATOM 0 HE21 GLN B 6 10.528 2.188 2.301 1.00 0.00 H new ATOM 0 HE22 GLN B 6 10.728 3.270 0.919 1.00 0.00 H new ATOM 633 N ILE B 7 3.558 2.110 1.292 1.00 0.00 N ATOM 634 CA ILE B 7 2.404 2.208 0.414 1.00 0.00 C ATOM 635 C ILE B 7 1.772 3.594 0.563 1.00 0.00 C ATOM 636 O ILE B 7 1.261 4.154 -0.405 1.00 0.00 O ATOM 637 CB ILE B 7 1.431 1.057 0.677 1.00 0.00 C ATOM 638 CG1 ILE B 7 2.029 -0.279 0.235 1.00 0.00 C ATOM 639 CG2 ILE B 7 0.075 1.324 0.020 1.00 0.00 C ATOM 640 CD1 ILE B 7 1.318 -1.451 0.915 1.00 0.00 C ATOM 0 H ILE B 7 3.400 1.574 2.146 1.00 0.00 H new ATOM 0 HA ILE B 7 2.708 2.106 -0.628 1.00 0.00 H new ATOM 0 HB ILE B 7 1.261 0.993 1.752 1.00 0.00 H new ATOM 0 HG12 ILE B 7 1.947 -0.378 -0.847 1.00 0.00 H new ATOM 0 HG13 ILE B 7 3.091 -0.304 0.477 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -0.598 0.491 0.222 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -0.352 2.241 0.426 1.00 0.00 H new ATOM 0 HG23 ILE B 7 0.207 1.430 -1.057 1.00 0.00 H new ATOM 0 HD11 ILE B 7 1.763 -2.389 0.583 1.00 0.00 H new ATOM 0 HD12 ILE B 7 1.423 -1.362 1.996 1.00 0.00 H new ATOM 0 HD13 ILE B 7 0.261 -1.438 0.651 1.00 0.00 H new ATOM 652 N ILE B 8 1.829 4.107 1.784 1.00 0.00 N ATOM 653 CA ILE B 8 1.293 5.428 2.066 1.00 0.00 C ATOM 654 C ILE B 8 1.937 6.446 1.123 1.00 0.00 C ATOM 655 O ILE B 8 1.245 7.273 0.531 1.00 0.00 O ATOM 656 CB ILE B 8 1.462 5.769 3.548 1.00 0.00 C ATOM 657 CG1 ILE B 8 0.721 4.761 4.430 1.00 0.00 C ATOM 658 CG2 ILE B 8 1.027 7.208 3.832 1.00 0.00 C ATOM 659 CD1 ILE B 8 0.876 5.112 5.911 1.00 0.00 C ATOM 0 H ILE B 8 2.238 3.632 2.589 1.00 0.00 H new ATOM 0 HA ILE B 8 0.220 5.453 1.878 1.00 0.00 H new ATOM 0 HB ILE B 8 2.521 5.698 3.797 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -0.336 4.748 4.164 1.00 0.00 H new ATOM 0 HG13 ILE B 8 1.108 3.759 4.247 1.00 0.00 H new ATOM 0 HG21 ILE B 8 1.157 7.425 4.892 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.636 7.895 3.244 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -0.022 7.331 3.563 1.00 0.00 H new ATOM 0 HD11 ILE B 8 0.340 4.381 6.516 1.00 0.00 H new ATOM 0 HD12 ILE B 8 1.932 5.101 6.179 1.00 0.00 H new ATOM 0 HD13 ILE B 8 0.466 6.105 6.094 1.00 0.00 H new ATOM 671 N GLU B 9 3.254 6.354 1.014 1.00 0.00 N ATOM 672 CA GLU B 9 4.002 7.272 0.172 1.00 0.00 C ATOM 673 C GLU B 9 3.584 7.110 -1.291 1.00 0.00 C ATOM 674 O GLU B 9 3.816 7.999 -2.109 1.00 0.00 O ATOM 675 CB GLU B 9 5.509 7.065 0.337 1.00 0.00 C ATOM 676 CG GLU B 9 5.969 7.479 1.736 1.00 0.00 C ATOM 677 CD GLU B 9 7.482 7.313 1.887 1.00 0.00 C ATOM 678 OE1 GLU B 9 7.898 6.187 2.235 1.00 0.00 O ATOM 679 OE2 GLU B 9 8.189 8.317 1.652 1.00 0.00 O ATOM 0 H GLU B 9 3.823 5.657 1.495 1.00 0.00 H new ATOM 0 HA GLU B 9 3.772 8.290 0.486 1.00 0.00 H new ATOM 0 HB2 GLU B 9 5.757 6.018 0.164 1.00 0.00 H new ATOM 0 HB3 GLU B 9 6.044 7.648 -0.413 1.00 0.00 H new ATOM 0 HG2 GLU B 9 5.693 8.517 1.921 1.00 0.00 H new ATOM 0 HG3 GLU B 9 5.457 6.875 2.485 1.00 0.00 H new ATOM 686 N ALA B 10 2.974 5.968 -1.576 1.00 0.00 N ATOM 687 CA ALA B 10 2.527 5.676 -2.927 1.00 0.00 C ATOM 688 C ALA B 10 1.253 6.471 -3.221 1.00 0.00 C ATOM 689 O ALA B 10 1.113 7.051 -4.297 1.00 0.00 O ATOM 690 CB ALA B 10 2.321 4.168 -3.082 1.00 0.00 C ATOM 0 H ALA B 10 2.779 5.235 -0.894 1.00 0.00 H new ATOM 0 HA ALA B 10 3.280 5.979 -3.654 1.00 0.00 H new ATOM 0 HB1 ALA B 10 1.986 3.949 -4.096 1.00 0.00 H new ATOM 0 HB2 ALA B 10 3.261 3.651 -2.891 1.00 0.00 H new ATOM 0 HB3 ALA B 10 1.569 3.828 -2.370 1.00 0.00 H new ATOM 696 N VAL B 11 0.356 6.472 -2.246 1.00 0.00 N ATOM 697 CA VAL B 11 -0.905 7.179 -2.389 1.00 0.00 C ATOM 698 C VAL B 11 -0.640 8.686 -2.422 1.00 0.00 C ATOM 699 O VAL B 11 -1.490 9.460 -2.857 1.00 0.00 O ATOM 700 CB VAL B 11 -1.867 6.766 -1.274 1.00 0.00 C ATOM 701 CG1 VAL B 11 -3.031 7.752 -1.160 1.00 0.00 C ATOM 702 CG2 VAL B 11 -2.376 5.339 -1.489 1.00 0.00 C ATOM 0 H VAL B 11 0.478 5.994 -1.353 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.386 6.913 -3.330 1.00 0.00 H new ATOM 0 HB VAL B 11 -1.317 6.787 -0.333 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.700 7.435 -0.360 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -2.645 8.747 -0.937 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.579 7.778 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -3.058 5.071 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -2.901 5.280 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.532 4.649 -1.496 1.00 0.00 H new ATOM 712 N ALA B 12 0.544 9.056 -1.956 1.00 0.00 N ATOM 713 CA ALA B 12 0.928 10.456 -1.917 1.00 0.00 C ATOM 714 C ALA B 12 1.704 10.804 -3.189 1.00 0.00 C ATOM 715 O ALA B 12 2.053 11.962 -3.411 1.00 0.00 O ATOM 716 CB ALA B 12 1.738 10.729 -0.648 1.00 0.00 C ATOM 0 H ALA B 12 1.250 8.410 -1.602 1.00 0.00 H new ATOM 0 HA ALA B 12 0.045 11.094 -1.884 1.00 0.00 H new ATOM 0 HB1 ALA B 12 2.026 11.780 -0.619 1.00 0.00 H new ATOM 0 HB2 ALA B 12 1.133 10.495 0.228 1.00 0.00 H new ATOM 0 HB3 ALA B 12 2.633 10.107 -0.647 1.00 0.00 H new ATOM 722 N ALA B 13 1.951 9.779 -3.992 1.00 0.00 N ATOM 723 CA ALA B 13 2.699 9.957 -5.225 1.00 0.00 C ATOM 724 C ALA B 13 1.721 10.134 -6.389 1.00 0.00 C ATOM 725 O ALA B 13 2.074 10.705 -7.419 1.00 0.00 O ATOM 726 CB ALA B 13 3.638 8.767 -5.429 1.00 0.00 C ATOM 0 H ALA B 13 1.646 8.822 -3.813 1.00 0.00 H new ATOM 0 HA ALA B 13 3.316 10.854 -5.173 1.00 0.00 H new ATOM 0 HB1 ALA B 13 4.199 8.901 -6.354 1.00 0.00 H new ATOM 0 HB2 ALA B 13 4.331 8.702 -4.590 1.00 0.00 H new ATOM 0 HB3 ALA B 13 3.054 7.849 -5.488 1.00 0.00 H new ATOM 732 N MET B 14 0.511 9.633 -6.185 1.00 0.00 N ATOM 733 CA MET B 14 -0.514 9.711 -7.211 1.00 0.00 C ATOM 734 C MET B 14 -1.519 10.822 -6.899 1.00 0.00 C ATOM 735 O MET B 14 -1.489 11.405 -5.817 1.00 0.00 O ATOM 736 CB MET B 14 -1.245 8.371 -7.305 1.00 0.00 C ATOM 737 CG MET B 14 -0.287 7.250 -7.712 1.00 0.00 C ATOM 738 SD MET B 14 -0.424 5.885 -6.569 1.00 0.00 S ATOM 739 CE MET B 14 -1.922 5.125 -7.173 1.00 0.00 C ATOM 0 H MET B 14 0.218 9.172 -5.324 1.00 0.00 H new ATOM 0 HA MET B 14 -0.033 9.939 -8.162 1.00 0.00 H new ATOM 0 HB2 MET B 14 -1.701 8.133 -6.344 1.00 0.00 H new ATOM 0 HB3 MET B 14 -2.054 8.444 -8.032 1.00 0.00 H new ATOM 0 HG2 MET B 14 -0.517 6.913 -8.723 1.00 0.00 H new ATOM 0 HG3 MET B 14 0.737 7.623 -7.725 1.00 0.00 H new ATOM 0 HE1 MET B 14 -2.204 4.304 -6.515 1.00 0.00 H new ATOM 0 HE2 MET B 14 -2.722 5.865 -7.194 1.00 0.00 H new ATOM 0 HE3 MET B 14 -1.755 4.742 -8.180 1.00 0.00 H new ATOM 749 N SER B 15 -2.386 11.080 -7.867 1.00 0.00 N ATOM 750 CA SER B 15 -3.395 12.114 -7.711 1.00 0.00 C ATOM 751 C SER B 15 -4.559 11.587 -6.870 1.00 0.00 C ATOM 752 O SER B 15 -4.691 10.380 -6.673 1.00 0.00 O ATOM 753 CB SER B 15 -3.901 12.600 -9.071 1.00 0.00 C ATOM 754 OG SER B 15 -3.734 11.613 -10.086 1.00 0.00 O ATOM 0 H SER B 15 -2.411 10.591 -8.762 1.00 0.00 H new ATOM 0 HA SER B 15 -2.939 12.961 -7.199 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.956 12.864 -8.992 1.00 0.00 H new ATOM 0 HB3 SER B 15 -3.366 13.506 -9.355 1.00 0.00 H new ATOM 0 HG SER B 15 -4.070 11.960 -10.938 1.00 0.00 H new ATOM 760 N VAL B 16 -5.374 12.518 -6.396 1.00 0.00 N ATOM 761 CA VAL B 16 -6.517 12.163 -5.572 1.00 0.00 C ATOM 762 C VAL B 16 -7.459 11.263 -6.375 1.00 0.00 C ATOM 763 O VAL B 16 -7.921 10.239 -5.875 1.00 0.00 O ATOM 764 CB VAL B 16 -7.200 13.429 -5.051 1.00 0.00 C ATOM 765 CG1 VAL B 16 -8.506 13.090 -4.329 1.00 0.00 C ATOM 766 CG2 VAL B 16 -6.261 14.224 -4.141 1.00 0.00 C ATOM 0 H VAL B 16 -5.265 13.518 -6.567 1.00 0.00 H new ATOM 0 HA VAL B 16 -6.196 11.599 -4.696 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.444 14.055 -5.909 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -8.971 14.007 -3.969 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -9.183 12.587 -5.019 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.295 12.434 -3.484 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -6.771 15.119 -3.784 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -5.971 13.608 -3.290 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -5.371 14.512 -4.700 1.00 0.00 H new ATOM 776 N MET B 17 -7.715 11.679 -7.607 1.00 0.00 N ATOM 777 CA MET B 17 -8.597 10.925 -8.482 1.00 0.00 C ATOM 778 C MET B 17 -8.075 9.502 -8.693 1.00 0.00 C ATOM 779 O MET B 17 -8.835 8.539 -8.603 1.00 0.00 O ATOM 780 CB MET B 17 -8.703 11.635 -9.834 1.00 0.00 C ATOM 781 CG MET B 17 -9.857 12.640 -9.835 1.00 0.00 C ATOM 782 SD MET B 17 -9.551 13.918 -11.043 1.00 0.00 S ATOM 783 CE MET B 17 -11.000 14.931 -10.796 1.00 0.00 C ATOM 0 H MET B 17 -7.328 12.528 -8.020 1.00 0.00 H new ATOM 0 HA MET B 17 -9.579 10.866 -8.014 1.00 0.00 H new ATOM 0 HB2 MET B 17 -7.767 12.150 -10.053 1.00 0.00 H new ATOM 0 HB3 MET B 17 -8.855 10.900 -10.624 1.00 0.00 H new ATOM 0 HG2 MET B 17 -10.794 12.131 -10.061 1.00 0.00 H new ATOM 0 HG3 MET B 17 -9.966 13.082 -8.845 1.00 0.00 H new ATOM 0 HE1 MET B 17 -10.970 15.782 -11.477 1.00 0.00 H new ATOM 0 HE2 MET B 17 -11.895 14.340 -10.993 1.00 0.00 H new ATOM 0 HE3 MET B 17 -11.022 15.290 -9.767 1.00 0.00 H new ATOM 793 N ASP B 18 -6.782 9.415 -8.968 1.00 0.00 N ATOM 794 CA ASP B 18 -6.153 8.127 -9.208 1.00 0.00 C ATOM 795 C ASP B 18 -6.331 7.240 -7.975 1.00 0.00 C ATOM 796 O ASP B 18 -6.401 6.017 -8.090 1.00 0.00 O ATOM 797 CB ASP B 18 -4.654 8.286 -9.465 1.00 0.00 C ATOM 798 CG ASP B 18 -4.002 7.130 -10.227 1.00 0.00 C ATOM 799 OD1 ASP B 18 -4.464 6.864 -11.358 1.00 0.00 O ATOM 800 OD2 ASP B 18 -3.057 6.538 -9.661 1.00 0.00 O ATOM 0 H ASP B 18 -6.153 10.215 -9.030 1.00 0.00 H new ATOM 0 HA ASP B 18 -6.623 7.680 -10.084 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -4.492 9.207 -10.025 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -4.147 8.402 -8.507 1.00 0.00 H new ATOM 805 N VAL B 19 -6.398 7.890 -6.822 1.00 0.00 N ATOM 806 CA VAL B 19 -6.513 7.172 -5.564 1.00 0.00 C ATOM 807 C VAL B 19 -7.979 6.808 -5.322 1.00 0.00 C ATOM 808 O VAL B 19 -8.274 5.810 -4.667 1.00 0.00 O ATOM 809 CB VAL B 19 -5.908 8.004 -4.430 1.00 0.00 C ATOM 810 CG1 VAL B 19 -6.258 7.407 -3.066 1.00 0.00 C ATOM 811 CG2 VAL B 19 -4.393 8.140 -4.598 1.00 0.00 C ATOM 0 H VAL B 19 -6.375 8.906 -6.733 1.00 0.00 H new ATOM 0 HA VAL B 19 -5.949 6.240 -5.603 1.00 0.00 H new ATOM 0 HB VAL B 19 -6.341 9.003 -4.479 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -5.816 8.017 -2.278 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -7.341 7.386 -2.945 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -5.866 6.392 -3.002 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -3.988 8.735 -3.780 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -3.936 7.151 -4.588 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -4.175 8.631 -5.546 1.00 0.00 H new ATOM 821 N VAL B 20 -8.859 7.637 -5.863 1.00 0.00 N ATOM 822 CA VAL B 20 -10.287 7.406 -5.728 1.00 0.00 C ATOM 823 C VAL B 20 -10.674 6.158 -6.524 1.00 0.00 C ATOM 824 O VAL B 20 -11.507 5.369 -6.082 1.00 0.00 O ATOM 825 CB VAL B 20 -11.062 8.653 -6.157 1.00 0.00 C ATOM 826 CG1 VAL B 20 -12.558 8.356 -6.273 1.00 0.00 C ATOM 827 CG2 VAL B 20 -10.807 9.815 -5.195 1.00 0.00 C ATOM 0 H VAL B 20 -8.611 8.470 -6.396 1.00 0.00 H new ATOM 0 HA VAL B 20 -10.547 7.221 -4.686 1.00 0.00 H new ATOM 0 HB VAL B 20 -10.702 8.948 -7.142 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -13.086 9.259 -6.579 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -12.717 7.574 -7.015 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -12.939 8.023 -5.307 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -11.370 10.689 -5.523 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -11.126 9.533 -4.192 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -9.743 10.052 -5.184 1.00 0.00 H new ATOM 837 N GLU B 21 -10.052 6.019 -7.686 1.00 0.00 N ATOM 838 CA GLU B 21 -10.309 4.873 -8.541 1.00 0.00 C ATOM 839 C GLU B 21 -9.830 3.587 -7.863 1.00 0.00 C ATOM 840 O GLU B 21 -10.547 2.588 -7.842 1.00 0.00 O ATOM 841 CB GLU B 21 -9.649 5.050 -9.909 1.00 0.00 C ATOM 842 CG GLU B 21 -10.430 6.046 -10.770 1.00 0.00 C ATOM 843 CD GLU B 21 -9.702 6.321 -12.087 1.00 0.00 C ATOM 844 OE1 GLU B 21 -8.488 6.607 -12.016 1.00 0.00 O ATOM 845 OE2 GLU B 21 -10.378 6.238 -13.136 1.00 0.00 O ATOM 0 H GLU B 21 -9.370 6.682 -8.055 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.385 4.798 -8.701 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.625 5.400 -9.780 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.595 4.088 -10.418 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -11.425 5.652 -10.976 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -10.564 6.979 -10.222 1.00 0.00 H new ATOM 852 N LEU B 22 -8.620 3.655 -7.327 1.00 0.00 N ATOM 853 CA LEU B 22 -8.056 2.524 -6.610 1.00 0.00 C ATOM 854 C LEU B 22 -9.024 2.089 -5.508 1.00 0.00 C ATOM 855 O LEU B 22 -9.526 0.966 -5.526 1.00 0.00 O ATOM 856 CB LEU B 22 -6.653 2.859 -6.099 1.00 0.00 C ATOM 857 CG LEU B 22 -5.880 1.706 -5.457 1.00 0.00 C ATOM 858 CD1 LEU B 22 -5.323 0.759 -6.521 1.00 0.00 C ATOM 859 CD2 LEU B 22 -4.784 2.232 -4.527 1.00 0.00 C ATOM 0 H LEU B 22 -8.015 4.475 -7.375 1.00 0.00 H new ATOM 0 HA LEU B 22 -7.932 1.673 -7.279 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.066 3.243 -6.933 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -6.736 3.665 -5.370 1.00 0.00 H new ATOM 0 HG LEU B 22 -6.573 1.129 -4.845 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.778 -0.052 -6.037 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -6.145 0.345 -7.106 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -4.649 1.307 -7.179 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -4.249 1.392 -4.083 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -4.087 2.846 -5.097 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -5.235 2.833 -3.737 1.00 0.00 H new ATOM 871 N ILE B 23 -9.256 3.001 -4.575 1.00 0.00 N ATOM 872 CA ILE B 23 -10.128 2.713 -3.449 1.00 0.00 C ATOM 873 C ILE B 23 -11.451 2.144 -3.965 1.00 0.00 C ATOM 874 O ILE B 23 -12.009 1.224 -3.370 1.00 0.00 O ATOM 875 CB ILE B 23 -10.294 3.955 -2.570 1.00 0.00 C ATOM 876 CG1 ILE B 23 -8.995 4.281 -1.831 1.00 0.00 C ATOM 877 CG2 ILE B 23 -11.474 3.793 -1.610 1.00 0.00 C ATOM 878 CD1 ILE B 23 -8.996 5.727 -1.332 1.00 0.00 C ATOM 0 H ILE B 23 -8.856 3.939 -4.576 1.00 0.00 H new ATOM 0 HA ILE B 23 -9.683 1.952 -2.807 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.519 4.804 -3.216 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -8.872 3.602 -0.988 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -8.145 4.122 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -11.570 4.689 -0.997 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -12.390 3.644 -2.181 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -11.304 2.930 -0.967 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -8.061 5.932 -0.810 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -9.095 6.405 -2.180 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -9.833 5.876 -0.649 1.00 0.00 H new ATOM 890 N SER B 24 -11.914 2.715 -5.067 1.00 0.00 N ATOM 891 CA SER B 24 -13.193 2.322 -5.633 1.00 0.00 C ATOM 892 C SER B 24 -13.125 0.876 -6.128 1.00 0.00 C ATOM 893 O SER B 24 -14.084 0.120 -5.982 1.00 0.00 O ATOM 894 CB SER B 24 -13.600 3.255 -6.775 1.00 0.00 C ATOM 895 OG SER B 24 -14.329 4.386 -6.307 1.00 0.00 O ATOM 0 H SER B 24 -11.426 3.447 -5.583 1.00 0.00 H new ATOM 0 HA SER B 24 -13.949 2.396 -4.852 1.00 0.00 H new ATOM 0 HB2 SER B 24 -12.708 3.592 -7.303 1.00 0.00 H new ATOM 0 HB3 SER B 24 -14.207 2.705 -7.494 1.00 0.00 H new ATOM 0 HG SER B 24 -13.704 5.101 -6.066 1.00 0.00 H new ATOM 901 N ALA B 25 -11.981 0.534 -6.703 1.00 0.00 N ATOM 902 CA ALA B 25 -11.780 -0.803 -7.234 1.00 0.00 C ATOM 903 C ALA B 25 -11.945 -1.825 -6.107 1.00 0.00 C ATOM 904 O ALA B 25 -12.745 -2.753 -6.218 1.00 0.00 O ATOM 905 CB ALA B 25 -10.406 -0.887 -7.901 1.00 0.00 C ATOM 0 H ALA B 25 -11.184 1.160 -6.813 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.526 -1.029 -7.996 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.256 -1.890 -8.299 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.351 -0.162 -8.713 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.631 -0.668 -7.166 1.00 0.00 H new ATOM 911 N MET B 26 -11.175 -1.621 -5.049 1.00 0.00 N ATOM 912 CA MET B 26 -11.233 -2.507 -3.899 1.00 0.00 C ATOM 913 C MET B 26 -12.662 -2.622 -3.366 1.00 0.00 C ATOM 914 O MET B 26 -13.149 -3.724 -3.117 1.00 0.00 O ATOM 915 CB MET B 26 -10.317 -1.973 -2.796 1.00 0.00 C ATOM 916 CG MET B 26 -8.845 -2.177 -3.158 1.00 0.00 C ATOM 917 SD MET B 26 -7.804 -1.621 -1.819 1.00 0.00 S ATOM 918 CE MET B 26 -6.300 -1.278 -2.717 1.00 0.00 C ATOM 0 H MET B 26 -10.507 -0.855 -4.964 1.00 0.00 H new ATOM 0 HA MET B 26 -10.902 -3.498 -4.210 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.513 -0.912 -2.638 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.538 -2.481 -1.857 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.655 -3.230 -3.364 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.606 -1.626 -4.068 1.00 0.00 H new ATOM 0 HE1 MET B 26 -5.567 -0.835 -2.043 1.00 0.00 H new ATOM 0 HE2 MET B 26 -5.902 -2.206 -3.127 1.00 0.00 H new ATOM 0 HE3 MET B 26 -6.512 -0.583 -3.530 1.00 0.00 H new ATOM 928 N GLU B 27 -13.294 -1.468 -3.207 1.00 0.00 N ATOM 929 CA GLU B 27 -14.649 -1.424 -2.683 1.00 0.00 C ATOM 930 C GLU B 27 -15.521 -2.474 -3.375 1.00 0.00 C ATOM 931 O GLU B 27 -16.254 -3.209 -2.716 1.00 0.00 O ATOM 932 CB GLU B 27 -15.250 -0.025 -2.836 1.00 0.00 C ATOM 933 CG GLU B 27 -14.954 0.837 -1.607 1.00 0.00 C ATOM 934 CD GLU B 27 -15.509 2.251 -1.782 1.00 0.00 C ATOM 935 OE1 GLU B 27 -14.862 3.028 -2.518 1.00 0.00 O ATOM 936 OE2 GLU B 27 -16.568 2.525 -1.177 1.00 0.00 O ATOM 0 H GLU B 27 -12.893 -0.557 -3.432 1.00 0.00 H new ATOM 0 HA GLU B 27 -14.614 -1.655 -1.618 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -14.843 0.454 -3.727 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -16.328 -0.102 -2.979 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -15.393 0.377 -0.722 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.878 0.883 -1.441 1.00 0.00 H new ATOM 943 N GLU B 28 -15.411 -2.511 -4.695 1.00 0.00 N ATOM 944 CA GLU B 28 -16.230 -3.411 -5.489 1.00 0.00 C ATOM 945 C GLU B 28 -15.644 -4.824 -5.464 1.00 0.00 C ATOM 946 O GLU B 28 -16.363 -5.795 -5.235 1.00 0.00 O ATOM 947 CB GLU B 28 -16.372 -2.900 -6.924 1.00 0.00 C ATOM 948 CG GLU B 28 -17.219 -3.858 -7.765 1.00 0.00 C ATOM 949 CD GLU B 28 -17.754 -3.160 -9.018 1.00 0.00 C ATOM 950 OE1 GLU B 28 -16.931 -2.916 -9.926 1.00 0.00 O ATOM 951 OE2 GLU B 28 -18.973 -2.888 -9.038 1.00 0.00 O ATOM 0 H GLU B 28 -14.767 -1.932 -5.234 1.00 0.00 H new ATOM 0 HA GLU B 28 -17.227 -3.446 -5.051 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -16.832 -1.912 -6.918 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -15.385 -2.790 -7.374 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -16.620 -4.722 -8.053 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -18.051 -4.232 -7.169 1.00 0.00 H new ATOM 958 N LYS B 29 -14.342 -4.894 -5.704 1.00 0.00 N ATOM 959 CA LYS B 29 -13.657 -6.174 -5.744 1.00 0.00 C ATOM 960 C LYS B 29 -13.980 -6.961 -4.472 1.00 0.00 C ATOM 961 O LYS B 29 -14.605 -8.019 -4.535 1.00 0.00 O ATOM 962 CB LYS B 29 -12.158 -5.972 -5.977 1.00 0.00 C ATOM 963 CG LYS B 29 -11.408 -7.305 -5.911 1.00 0.00 C ATOM 964 CD LYS B 29 -11.563 -8.087 -7.216 1.00 0.00 C ATOM 965 CE LYS B 29 -10.984 -9.497 -7.082 1.00 0.00 C ATOM 966 NZ LYS B 29 -10.600 -10.028 -8.410 1.00 0.00 N ATOM 0 H LYS B 29 -13.744 -4.085 -5.873 1.00 0.00 H new ATOM 0 HA LYS B 29 -14.011 -6.769 -6.586 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -11.997 -5.508 -6.950 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.759 -5.288 -5.228 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.351 -7.122 -5.716 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -11.788 -7.899 -5.080 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -12.618 -8.147 -7.485 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -11.058 -7.558 -8.024 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -10.114 -9.478 -6.426 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -11.719 -10.156 -6.619 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.209 -10.986 -8.301 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -11.438 -10.064 -9.025 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -9.883 -9.408 -8.838 1.00 0.00 H new ATOM 980 N PHE B 30 -13.541 -6.414 -3.348 1.00 0.00 N ATOM 981 CA PHE B 30 -13.756 -7.063 -2.066 1.00 0.00 C ATOM 982 C PHE B 30 -15.215 -6.934 -1.624 1.00 0.00 C ATOM 983 O PHE B 30 -15.632 -7.564 -0.653 1.00 0.00 O ATOM 984 CB PHE B 30 -12.863 -6.351 -1.049 1.00 0.00 C ATOM 985 CG PHE B 30 -11.368 -6.613 -1.243 1.00 0.00 C ATOM 986 CD1 PHE B 30 -10.783 -7.686 -0.647 1.00 0.00 C ATOM 987 CD2 PHE B 30 -10.624 -5.772 -2.011 1.00 0.00 C ATOM 988 CE1 PHE B 30 -9.395 -7.929 -0.827 1.00 0.00 C ATOM 989 CE2 PHE B 30 -9.237 -6.015 -2.191 1.00 0.00 C ATOM 990 CZ PHE B 30 -8.652 -7.089 -1.595 1.00 0.00 C ATOM 0 H PHE B 30 -13.037 -5.528 -3.299 1.00 0.00 H new ATOM 0 HA PHE B 30 -13.520 -8.124 -2.142 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -13.044 -5.278 -1.110 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -13.150 -6.666 -0.046 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -11.373 -8.353 -0.037 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -11.089 -4.919 -2.484 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.930 -8.781 -0.354 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -8.646 -5.347 -2.801 1.00 0.00 H new ATOM 0 HZ PHE B 30 -7.597 -7.274 -1.732 1.00 0.00 H new