USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=13 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 3 THR OG1 : rot 125:sc= 0.468 USER MOD Set 1.2: A 6 GLN : amide:sc= -0.395 K(o=0.073,f=-3.7!) USER MOD Single : A 4 LYS NZ :NH3+ -168:sc= 0.979 (180deg=0.895) USER MOD Single : A 14 MET CE :methyl -115:sc= -0.0152 (180deg=-2.55!) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0328 USER MOD Single : A 17 MET CE :methyl -132:sc=-0.00653 (180deg=-0.239) USER MOD Single : A 24 SER OG : rot 84:sc= 0.00961 USER MOD Single : A 26 MET CE :methyl 171:sc= -1.46 (180deg=-1.93) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 THR OG1 : rot -51:sc= 0.153 USER MOD Single : B 4 LYS NZ :NH3+ -160:sc= 1.26 (180deg=0.657) USER MOD Single : B 6 GLN : amide:sc= -0.0633 K(o=-0.063,f=-0.81) USER MOD Single : B 14 MET CE :methyl 155:sc= -0.111 (180deg=-1.22) USER MOD Single : B 15 SER OG : rot -82:sc= 0.0658 USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 24 SER OG : rot 90:sc= 0.00328 USER MOD Single : B 26 MET CE :methyl 167:sc= -0.464 (180deg=-0.894) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 -0.043 -0.322 -12.248 1.00 0.00 N ATOM 32 CA THR A 3 -1.450 -0.073 -12.514 1.00 0.00 C ATOM 33 C THR A 3 -2.263 -0.180 -11.222 1.00 0.00 C ATOM 34 O THR A 3 -1.822 -0.799 -10.255 1.00 0.00 O ATOM 35 CB THR A 3 -1.905 -1.047 -13.602 1.00 0.00 C ATOM 36 OG1 THR A 3 -1.547 -2.329 -13.092 1.00 0.00 O ATOM 37 CG2 THR A 3 -1.085 -0.915 -14.887 1.00 0.00 C ATOM 0 HA THR A 3 -1.611 0.941 -12.879 1.00 0.00 H new ATOM 0 HB THR A 3 -2.958 -0.876 -13.825 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.336 -2.910 -13.083 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.449 -1.629 -15.626 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.185 0.097 -15.280 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.036 -1.119 -14.672 1.00 0.00 H new ATOM 45 N LYS A 4 -3.438 0.432 -11.249 1.00 0.00 N ATOM 46 CA LYS A 4 -4.307 0.434 -10.084 1.00 0.00 C ATOM 47 C LYS A 4 -4.693 -1.005 -9.738 1.00 0.00 C ATOM 48 O LYS A 4 -4.666 -1.396 -8.572 1.00 0.00 O ATOM 49 CB LYS A 4 -5.507 1.355 -10.313 1.00 0.00 C ATOM 50 CG LYS A 4 -5.176 2.796 -9.919 1.00 0.00 C ATOM 51 CD LYS A 4 -6.112 3.784 -10.617 1.00 0.00 C ATOM 52 CE LYS A 4 -5.704 3.988 -12.078 1.00 0.00 C ATOM 53 NZ LYS A 4 -6.080 5.344 -12.537 1.00 0.00 N ATOM 0 H LYS A 4 -3.808 0.930 -12.059 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.783 0.840 -9.219 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.802 1.320 -11.362 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.358 1.001 -9.730 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.261 2.910 -8.838 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.142 3.021 -10.182 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.137 3.415 -10.570 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.093 4.740 -10.094 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.628 3.847 -12.184 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.187 3.239 -12.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.986 5.399 -13.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.065 5.541 -12.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.454 6.046 -12.094 1.00 0.00 H new ATOM 67 N ASP A 5 -5.043 -1.755 -10.773 1.00 0.00 N ATOM 68 CA ASP A 5 -5.475 -3.130 -10.588 1.00 0.00 C ATOM 69 C ASP A 5 -4.371 -3.916 -9.879 1.00 0.00 C ATOM 70 O ASP A 5 -4.647 -4.705 -8.977 1.00 0.00 O ATOM 71 CB ASP A 5 -5.748 -3.807 -11.933 1.00 0.00 C ATOM 72 CG ASP A 5 -7.135 -3.540 -12.521 1.00 0.00 C ATOM 73 OD1 ASP A 5 -7.415 -2.354 -12.799 1.00 0.00 O ATOM 74 OD2 ASP A 5 -7.884 -4.528 -12.679 1.00 0.00 O ATOM 0 H ASP A 5 -5.036 -1.437 -11.742 1.00 0.00 H new ATOM 0 HA ASP A 5 -6.391 -3.119 -9.997 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.996 -3.475 -12.649 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.621 -4.883 -11.814 1.00 0.00 H new ATOM 79 N GLN A 6 -3.143 -3.673 -10.313 1.00 0.00 N ATOM 80 CA GLN A 6 -2.000 -4.381 -9.762 1.00 0.00 C ATOM 81 C GLN A 6 -1.920 -4.164 -8.250 1.00 0.00 C ATOM 82 O GLN A 6 -1.396 -5.008 -7.525 1.00 0.00 O ATOM 83 CB GLN A 6 -0.704 -3.948 -10.449 1.00 0.00 C ATOM 84 CG GLN A 6 -0.264 -4.978 -11.491 1.00 0.00 C ATOM 85 CD GLN A 6 -1.443 -5.409 -12.366 1.00 0.00 C ATOM 86 OE1 GLN A 6 -2.323 -4.631 -12.695 1.00 0.00 O ATOM 87 NE2 GLN A 6 -1.411 -6.690 -12.723 1.00 0.00 N ATOM 0 H GLN A 6 -2.915 -2.995 -11.040 1.00 0.00 H new ATOM 0 HA GLN A 6 -2.132 -5.447 -9.949 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.848 -2.980 -10.928 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.082 -3.821 -9.704 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.522 -4.555 -12.116 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.160 -5.849 -10.991 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.644 -7.287 -12.413 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.153 -7.075 -13.307 1.00 0.00 H new ATOM 96 N ILE A 7 -2.447 -3.027 -7.819 1.00 0.00 N ATOM 97 CA ILE A 7 -2.413 -2.673 -6.410 1.00 0.00 C ATOM 98 C ILE A 7 -3.512 -3.439 -5.670 1.00 0.00 C ATOM 99 O ILE A 7 -3.364 -3.759 -4.492 1.00 0.00 O ATOM 100 CB ILE A 7 -2.498 -1.155 -6.237 1.00 0.00 C ATOM 101 CG1 ILE A 7 -1.355 -0.455 -6.975 1.00 0.00 C ATOM 102 CG2 ILE A 7 -2.541 -0.774 -4.756 1.00 0.00 C ATOM 103 CD1 ILE A 7 0.004 -0.893 -6.425 1.00 0.00 C ATOM 0 H ILE A 7 -2.900 -2.339 -8.421 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.463 -2.969 -5.965 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.430 -0.811 -6.686 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.411 -0.683 -8.039 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.461 0.625 -6.875 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.601 0.310 -4.661 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.415 -1.228 -4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.638 -1.132 -4.262 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.798 -0.380 -6.967 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.066 -0.641 -5.366 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.117 -1.970 -6.549 1.00 0.00 H new ATOM 115 N ILE A 8 -4.589 -3.710 -6.392 1.00 0.00 N ATOM 116 CA ILE A 8 -5.701 -4.454 -5.827 1.00 0.00 C ATOM 117 C ILE A 8 -5.210 -5.829 -5.369 1.00 0.00 C ATOM 118 O ILE A 8 -5.519 -6.265 -4.262 1.00 0.00 O ATOM 119 CB ILE A 8 -6.865 -4.515 -6.819 1.00 0.00 C ATOM 120 CG1 ILE A 8 -7.332 -3.110 -7.203 1.00 0.00 C ATOM 121 CG2 ILE A 8 -8.009 -5.369 -6.270 1.00 0.00 C ATOM 122 CD1 ILE A 8 -8.552 -3.171 -8.125 1.00 0.00 C ATOM 0 H ILE A 8 -4.715 -3.427 -7.364 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.091 -3.945 -4.945 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.512 -4.997 -7.730 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.579 -2.546 -6.303 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.522 -2.577 -7.701 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.823 -5.396 -6.994 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.652 -6.383 -6.088 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.369 -4.938 -5.336 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.864 -2.159 -8.383 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.294 -3.714 -9.034 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.368 -3.683 -7.615 1.00 0.00 H new ATOM 134 N GLU A 9 -4.453 -6.473 -6.246 1.00 0.00 N ATOM 135 CA GLU A 9 -3.952 -7.807 -5.963 1.00 0.00 C ATOM 136 C GLU A 9 -2.949 -7.764 -4.809 1.00 0.00 C ATOM 137 O GLU A 9 -2.692 -8.781 -4.167 1.00 0.00 O ATOM 138 CB GLU A 9 -3.325 -8.432 -7.211 1.00 0.00 C ATOM 139 CG GLU A 9 -4.368 -8.617 -8.315 1.00 0.00 C ATOM 140 CD GLU A 9 -3.879 -9.613 -9.369 1.00 0.00 C ATOM 141 OE1 GLU A 9 -2.665 -9.577 -9.664 1.00 0.00 O ATOM 142 OE2 GLU A 9 -4.731 -10.387 -9.856 1.00 0.00 O ATOM 0 H GLU A 9 -4.175 -6.096 -7.152 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.792 -8.434 -5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.516 -7.797 -7.573 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.884 -9.396 -6.957 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.303 -8.971 -7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.578 -7.657 -8.786 1.00 0.00 H new ATOM 149 N ALA A 10 -2.410 -6.575 -4.579 1.00 0.00 N ATOM 150 CA ALA A 10 -1.434 -6.388 -3.520 1.00 0.00 C ATOM 151 C ALA A 10 -2.155 -6.334 -2.171 1.00 0.00 C ATOM 152 O ALA A 10 -1.626 -6.796 -1.161 1.00 0.00 O ATOM 153 CB ALA A 10 -0.616 -5.125 -3.795 1.00 0.00 C ATOM 0 H ALA A 10 -2.631 -5.732 -5.109 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.738 -7.226 -3.488 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.116 -4.985 -3.000 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.100 -5.226 -4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.281 -4.262 -3.832 1.00 0.00 H new ATOM 159 N VAL A 11 -3.351 -5.765 -2.198 1.00 0.00 N ATOM 160 CA VAL A 11 -4.149 -5.642 -0.990 1.00 0.00 C ATOM 161 C VAL A 11 -4.850 -6.972 -0.709 1.00 0.00 C ATOM 162 O VAL A 11 -5.274 -7.229 0.417 1.00 0.00 O ATOM 163 CB VAL A 11 -5.123 -4.469 -1.124 1.00 0.00 C ATOM 164 CG1 VAL A 11 -6.178 -4.504 -0.017 1.00 0.00 C ATOM 165 CG2 VAL A 11 -4.376 -3.134 -1.127 1.00 0.00 C ATOM 0 H VAL A 11 -3.787 -5.384 -3.038 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.513 -5.423 -0.132 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.637 -4.568 -2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.857 -3.660 -0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.741 -5.435 -0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.688 -4.442 0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.091 -2.317 -1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.823 -3.024 -0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.681 -3.108 -1.966 1.00 0.00 H new ATOM 175 N ALA A 12 -4.950 -7.784 -1.751 1.00 0.00 N ATOM 176 CA ALA A 12 -5.587 -9.084 -1.629 1.00 0.00 C ATOM 177 C ALA A 12 -4.532 -10.133 -1.273 1.00 0.00 C ATOM 178 O ALA A 12 -4.822 -11.328 -1.252 1.00 0.00 O ATOM 179 CB ALA A 12 -6.324 -9.416 -2.928 1.00 0.00 C ATOM 0 H ALA A 12 -4.600 -7.567 -2.684 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.326 -9.075 -0.828 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.802 -10.391 -2.836 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.082 -8.657 -3.120 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.614 -9.436 -3.754 1.00 0.00 H new ATOM 185 N ALA A 13 -3.329 -9.647 -1.002 1.00 0.00 N ATOM 186 CA ALA A 13 -2.225 -10.529 -0.666 1.00 0.00 C ATOM 187 C ALA A 13 -1.979 -10.480 0.843 1.00 0.00 C ATOM 188 O ALA A 13 -1.444 -11.425 1.420 1.00 0.00 O ATOM 189 CB ALA A 13 -0.987 -10.128 -1.471 1.00 0.00 C ATOM 0 H ALA A 13 -3.095 -8.654 -1.008 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.465 -11.560 -0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.159 -10.790 -1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.204 -10.208 -2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.715 -9.100 -1.232 1.00 0.00 H new ATOM 195 N MET A 14 -2.382 -9.368 1.440 1.00 0.00 N ATOM 196 CA MET A 14 -2.183 -9.169 2.865 1.00 0.00 C ATOM 197 C MET A 14 -3.421 -9.594 3.657 1.00 0.00 C ATOM 198 O MET A 14 -4.478 -9.840 3.078 1.00 0.00 O ATOM 199 CB MET A 14 -1.885 -7.693 3.138 1.00 0.00 C ATOM 200 CG MET A 14 -0.655 -7.228 2.355 1.00 0.00 C ATOM 201 SD MET A 14 -0.729 -5.464 2.092 1.00 0.00 S ATOM 202 CE MET A 14 0.897 -5.183 1.412 1.00 0.00 C ATOM 0 H MET A 14 -2.846 -8.595 0.962 1.00 0.00 H new ATOM 0 HA MET A 14 -1.342 -9.784 3.184 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.747 -7.087 2.861 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.720 -7.543 4.205 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.252 -7.485 2.902 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.607 -7.745 1.397 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.474 -4.560 2.095 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.404 -6.138 1.275 1.00 0.00 H new ATOM 0 HE3 MET A 14 0.807 -4.679 0.450 1.00 0.00 H new ATOM 212 N SER A 15 -3.249 -9.668 4.969 1.00 0.00 N ATOM 213 CA SER A 15 -4.337 -10.066 5.845 1.00 0.00 C ATOM 214 C SER A 15 -5.263 -8.876 6.104 1.00 0.00 C ATOM 215 O SER A 15 -4.889 -7.730 5.862 1.00 0.00 O ATOM 216 CB SER A 15 -3.804 -10.622 7.168 1.00 0.00 C ATOM 217 OG SER A 15 -2.506 -10.120 7.473 1.00 0.00 O ATOM 0 H SER A 15 -2.372 -9.459 5.446 1.00 0.00 H new ATOM 0 HA SER A 15 -4.902 -10.857 5.351 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.491 -10.363 7.973 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.769 -11.710 7.116 1.00 0.00 H new ATOM 0 HG SER A 15 -2.202 -10.497 8.325 1.00 0.00 H new ATOM 223 N VAL A 16 -6.454 -9.189 6.593 1.00 0.00 N ATOM 224 CA VAL A 16 -7.441 -8.161 6.875 1.00 0.00 C ATOM 225 C VAL A 16 -6.873 -7.183 7.905 1.00 0.00 C ATOM 226 O VAL A 16 -7.021 -5.970 7.763 1.00 0.00 O ATOM 227 CB VAL A 16 -8.755 -8.805 7.322 1.00 0.00 C ATOM 228 CG1 VAL A 16 -9.786 -7.741 7.703 1.00 0.00 C ATOM 229 CG2 VAL A 16 -9.304 -9.738 6.241 1.00 0.00 C ATOM 0 H VAL A 16 -6.758 -10.140 6.801 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.665 -7.590 5.974 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.549 -9.404 8.209 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.710 -8.226 8.017 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.398 -7.135 8.522 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.985 -7.103 6.842 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.238 -10.183 6.584 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.486 -9.170 5.329 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.579 -10.527 6.039 1.00 0.00 H new ATOM 239 N MET A 17 -6.236 -7.747 8.920 1.00 0.00 N ATOM 240 CA MET A 17 -5.637 -6.940 9.970 1.00 0.00 C ATOM 241 C MET A 17 -4.575 -5.999 9.399 1.00 0.00 C ATOM 242 O MET A 17 -4.553 -4.812 9.722 1.00 0.00 O ATOM 243 CB MET A 17 -5.000 -7.855 11.017 1.00 0.00 C ATOM 244 CG MET A 17 -6.008 -8.228 12.106 1.00 0.00 C ATOM 245 SD MET A 17 -5.336 -9.515 13.144 1.00 0.00 S ATOM 246 CE MET A 17 -5.597 -10.931 12.090 1.00 0.00 C ATOM 0 H MET A 17 -6.121 -8.754 9.038 1.00 0.00 H new ATOM 0 HA MET A 17 -6.420 -6.337 10.431 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.628 -8.760 10.536 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.141 -7.356 11.467 1.00 0.00 H new ATOM 0 HG2 MET A 17 -6.247 -7.351 12.708 1.00 0.00 H new ATOM 0 HG3 MET A 17 -6.939 -8.565 11.651 1.00 0.00 H new ATOM 0 HE1 MET A 17 -6.058 -11.733 12.666 1.00 0.00 H new ATOM 0 HE2 MET A 17 -6.253 -10.654 11.265 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.640 -11.272 11.695 1.00 0.00 H new ATOM 256 N ASP A 18 -3.719 -6.564 8.560 1.00 0.00 N ATOM 257 CA ASP A 18 -2.646 -5.794 7.954 1.00 0.00 C ATOM 258 C ASP A 18 -3.245 -4.654 7.129 1.00 0.00 C ATOM 259 O ASP A 18 -2.625 -3.602 6.975 1.00 0.00 O ATOM 260 CB ASP A 18 -1.805 -6.664 7.018 1.00 0.00 C ATOM 261 CG ASP A 18 -0.312 -6.328 6.989 1.00 0.00 C ATOM 262 OD1 ASP A 18 0.207 -5.957 8.064 1.00 0.00 O ATOM 263 OD2 ASP A 18 0.276 -6.449 5.893 1.00 0.00 O ATOM 0 H ASP A 18 -3.747 -7.546 8.286 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.014 -5.409 8.754 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.922 -7.707 7.313 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.202 -6.573 6.007 1.00 0.00 H new ATOM 268 N VAL A 19 -4.443 -4.900 6.620 1.00 0.00 N ATOM 269 CA VAL A 19 -5.125 -3.913 5.801 1.00 0.00 C ATOM 270 C VAL A 19 -5.717 -2.829 6.704 1.00 0.00 C ATOM 271 O VAL A 19 -5.717 -1.652 6.348 1.00 0.00 O ATOM 272 CB VAL A 19 -6.175 -4.597 4.922 1.00 0.00 C ATOM 273 CG1 VAL A 19 -6.978 -3.567 4.125 1.00 0.00 C ATOM 274 CG2 VAL A 19 -5.526 -5.625 3.993 1.00 0.00 C ATOM 0 H VAL A 19 -4.959 -5.769 6.759 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.422 -3.426 5.125 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.867 -5.127 5.577 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.717 -4.079 3.509 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.485 -2.890 4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.305 -2.997 3.485 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.294 -6.097 3.379 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.802 -5.127 3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.020 -6.385 4.588 1.00 0.00 H new ATOM 284 N VAL A 20 -6.207 -3.265 7.855 1.00 0.00 N ATOM 285 CA VAL A 20 -6.773 -2.343 8.825 1.00 0.00 C ATOM 286 C VAL A 20 -5.710 -1.319 9.230 1.00 0.00 C ATOM 287 O VAL A 20 -5.956 -0.115 9.188 1.00 0.00 O ATOM 288 CB VAL A 20 -7.341 -3.119 10.015 1.00 0.00 C ATOM 289 CG1 VAL A 20 -7.572 -2.194 11.212 1.00 0.00 C ATOM 290 CG2 VAL A 20 -8.629 -3.849 9.630 1.00 0.00 C ATOM 0 H VAL A 20 -6.224 -4.245 8.138 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.605 -1.791 8.387 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.606 -3.869 10.307 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.976 -2.770 12.044 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.626 -1.741 11.509 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.278 -1.411 10.936 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.011 -4.392 10.494 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.373 -3.124 9.299 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.422 -4.551 8.822 1.00 0.00 H new ATOM 300 N GLU A 21 -4.553 -1.837 9.614 1.00 0.00 N ATOM 301 CA GLU A 21 -3.446 -0.982 10.011 1.00 0.00 C ATOM 302 C GLU A 21 -3.124 0.019 8.900 1.00 0.00 C ATOM 303 O GLU A 21 -2.913 1.201 9.168 1.00 0.00 O ATOM 304 CB GLU A 21 -2.214 -1.814 10.374 1.00 0.00 C ATOM 305 CG GLU A 21 -2.322 -2.361 11.799 1.00 0.00 C ATOM 306 CD GLU A 21 -1.882 -1.313 12.823 1.00 0.00 C ATOM 307 OE1 GLU A 21 -2.742 -0.485 13.194 1.00 0.00 O ATOM 308 OE2 GLU A 21 -0.695 -1.363 13.212 1.00 0.00 O ATOM 0 H GLU A 21 -4.357 -2.837 9.659 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.743 -0.425 10.900 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.108 -2.640 9.671 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.317 -1.201 10.283 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.350 -2.662 12.000 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.704 -3.253 11.898 1.00 0.00 H new ATOM 315 N LEU A 22 -3.097 -0.490 7.678 1.00 0.00 N ATOM 316 CA LEU A 22 -2.808 0.346 6.525 1.00 0.00 C ATOM 317 C LEU A 22 -3.807 1.504 6.477 1.00 0.00 C ATOM 318 O LEU A 22 -3.437 2.656 6.695 1.00 0.00 O ATOM 319 CB LEU A 22 -2.778 -0.495 5.247 1.00 0.00 C ATOM 320 CG LEU A 22 -2.459 0.260 3.955 1.00 0.00 C ATOM 321 CD1 LEU A 22 -3.719 0.899 3.368 1.00 0.00 C ATOM 322 CD2 LEU A 22 -1.347 1.285 4.179 1.00 0.00 C ATOM 0 H LEU A 22 -3.271 -1.471 7.460 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.814 0.786 6.612 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.039 -1.287 5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.748 -0.979 5.132 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.091 -0.458 3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.464 1.429 2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.452 0.123 3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.140 1.601 4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.140 1.807 3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.662 2.004 4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.445 0.775 4.517 1.00 0.00 H new ATOM 334 N ILE A 23 -5.053 1.157 6.189 1.00 0.00 N ATOM 335 CA ILE A 23 -6.101 2.156 6.075 1.00 0.00 C ATOM 336 C ILE A 23 -6.002 3.129 7.251 1.00 0.00 C ATOM 337 O ILE A 23 -6.114 4.341 7.071 1.00 0.00 O ATOM 338 CB ILE A 23 -7.469 1.485 5.944 1.00 0.00 C ATOM 339 CG1 ILE A 23 -7.607 0.777 4.595 1.00 0.00 C ATOM 340 CG2 ILE A 23 -8.598 2.491 6.181 1.00 0.00 C ATOM 341 CD1 ILE A 23 -7.523 1.776 3.440 1.00 0.00 C ATOM 0 H ILE A 23 -5.360 0.197 6.031 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.972 2.742 5.165 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.549 0.721 6.718 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.821 0.029 4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.559 0.248 4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.560 1.988 6.082 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.508 2.909 7.184 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.531 3.293 5.446 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.624 1.246 2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.325 2.508 3.533 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.560 2.286 3.470 1.00 0.00 H new ATOM 353 N SER A 24 -5.794 2.562 8.431 1.00 0.00 N ATOM 354 CA SER A 24 -5.713 3.361 9.642 1.00 0.00 C ATOM 355 C SER A 24 -4.566 4.367 9.529 1.00 0.00 C ATOM 356 O SER A 24 -4.706 5.520 9.934 1.00 0.00 O ATOM 357 CB SER A 24 -5.522 2.475 10.874 1.00 0.00 C ATOM 358 OG SER A 24 -6.760 1.965 11.362 1.00 0.00 O ATOM 0 H SER A 24 -5.679 1.559 8.574 1.00 0.00 H new ATOM 0 HA SER A 24 -6.652 3.902 9.759 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.861 1.645 10.625 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.031 3.048 11.660 1.00 0.00 H new ATOM 0 HG SER A 24 -7.001 1.157 10.862 1.00 0.00 H new ATOM 364 N ALA A 25 -3.459 3.895 8.976 1.00 0.00 N ATOM 365 CA ALA A 25 -2.287 4.738 8.810 1.00 0.00 C ATOM 366 C ALA A 25 -2.644 5.929 7.919 1.00 0.00 C ATOM 367 O ALA A 25 -2.561 7.078 8.349 1.00 0.00 O ATOM 368 CB ALA A 25 -1.137 3.906 8.239 1.00 0.00 C ATOM 0 H ALA A 25 -3.348 2.939 8.637 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.958 5.132 9.771 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.258 4.538 8.114 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.904 3.090 8.923 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.429 3.496 7.272 1.00 0.00 H new ATOM 374 N MET A 26 -3.033 5.614 6.692 1.00 0.00 N ATOM 375 CA MET A 26 -3.385 6.645 5.730 1.00 0.00 C ATOM 376 C MET A 26 -4.402 7.623 6.323 1.00 0.00 C ATOM 377 O MET A 26 -4.305 8.830 6.107 1.00 0.00 O ATOM 378 CB MET A 26 -3.974 5.994 4.477 1.00 0.00 C ATOM 379 CG MET A 26 -2.897 5.239 3.695 1.00 0.00 C ATOM 380 SD MET A 26 -3.652 4.257 2.409 1.00 0.00 S ATOM 381 CE MET A 26 -4.330 5.554 1.387 1.00 0.00 C ATOM 0 H MET A 26 -3.112 4.659 6.342 1.00 0.00 H new ATOM 0 HA MET A 26 -2.483 7.199 5.472 1.00 0.00 H new ATOM 0 HB2 MET A 26 -4.772 5.307 4.760 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.422 6.758 3.842 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.191 5.945 3.258 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.330 4.597 4.369 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.699 5.127 0.455 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.151 6.040 1.914 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.554 6.288 1.168 1.00 0.00 H new ATOM 391 N GLU A 27 -5.353 7.065 7.058 1.00 0.00 N ATOM 392 CA GLU A 27 -6.391 7.873 7.676 1.00 0.00 C ATOM 393 C GLU A 27 -5.769 9.052 8.427 1.00 0.00 C ATOM 394 O GLU A 27 -6.220 10.188 8.289 1.00 0.00 O ATOM 395 CB GLU A 27 -7.261 7.027 8.608 1.00 0.00 C ATOM 396 CG GLU A 27 -8.517 6.534 7.887 1.00 0.00 C ATOM 397 CD GLU A 27 -9.463 5.824 8.858 1.00 0.00 C ATOM 398 OE1 GLU A 27 -8.967 4.942 9.592 1.00 0.00 O ATOM 399 OE2 GLU A 27 -10.662 6.179 8.844 1.00 0.00 O ATOM 0 H GLU A 27 -5.427 6.064 7.239 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.035 8.267 6.890 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.688 6.174 8.972 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.545 7.616 9.480 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.030 7.377 7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.236 5.853 7.084 1.00 0.00 H new ATOM 406 N GLU A 28 -4.743 8.741 9.207 1.00 0.00 N ATOM 407 CA GLU A 28 -4.068 9.758 9.995 1.00 0.00 C ATOM 408 C GLU A 28 -3.168 10.613 9.101 1.00 0.00 C ATOM 409 O GLU A 28 -3.233 11.841 9.141 1.00 0.00 O ATOM 410 CB GLU A 28 -3.267 9.125 11.135 1.00 0.00 C ATOM 411 CG GLU A 28 -2.892 10.171 12.188 1.00 0.00 C ATOM 412 CD GLU A 28 -1.499 9.898 12.760 1.00 0.00 C ATOM 413 OE1 GLU A 28 -0.544 9.902 11.953 1.00 0.00 O ATOM 414 OE2 GLU A 28 -1.422 9.691 13.990 1.00 0.00 O ATOM 0 H GLU A 28 -4.363 7.800 9.310 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.823 10.405 10.441 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.852 8.331 11.598 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.363 8.664 10.737 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.918 11.166 11.743 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.628 10.162 12.992 1.00 0.00 H new ATOM 421 N LYS A 29 -2.349 9.930 8.315 1.00 0.00 N ATOM 422 CA LYS A 29 -1.408 10.612 7.442 1.00 0.00 C ATOM 423 C LYS A 29 -2.156 11.652 6.606 1.00 0.00 C ATOM 424 O LYS A 29 -1.937 12.852 6.761 1.00 0.00 O ATOM 425 CB LYS A 29 -0.623 9.599 6.606 1.00 0.00 C ATOM 426 CG LYS A 29 0.303 10.307 5.614 1.00 0.00 C ATOM 427 CD LYS A 29 1.769 10.147 6.022 1.00 0.00 C ATOM 428 CE LYS A 29 2.160 11.180 7.080 1.00 0.00 C ATOM 429 NZ LYS A 29 2.756 10.514 8.260 1.00 0.00 N ATOM 0 H LYS A 29 -2.317 8.912 8.264 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.664 11.151 8.029 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.036 8.957 7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.315 8.954 6.066 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.153 9.897 4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.049 11.366 5.566 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.934 9.142 6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.408 10.259 5.146 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.871 11.890 6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.282 11.750 7.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.016 11.230 8.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.066 9.854 8.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.606 9.990 7.970 1.00 0.00 H new ATOM 443 N PHE A 30 -3.024 11.153 5.738 1.00 0.00 N ATOM 444 CA PHE A 30 -3.783 12.023 4.855 1.00 0.00 C ATOM 445 C PHE A 30 -4.873 12.770 5.627 1.00 0.00 C ATOM 446 O PHE A 30 -5.586 13.594 5.058 1.00 0.00 O ATOM 447 CB PHE A 30 -4.442 11.128 3.804 1.00 0.00 C ATOM 448 CG PHE A 30 -3.467 10.558 2.772 1.00 0.00 C ATOM 449 CD1 PHE A 30 -3.149 11.282 1.665 1.00 0.00 C ATOM 450 CD2 PHE A 30 -2.917 9.329 2.961 1.00 0.00 C ATOM 451 CE1 PHE A 30 -2.244 10.754 0.707 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.012 8.801 2.003 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.695 9.524 0.896 1.00 0.00 C ATOM 0 H PHE A 30 -3.219 10.158 5.627 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.122 12.763 4.403 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.945 10.303 4.308 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.211 11.700 3.285 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.585 12.259 1.515 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.169 8.754 3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.992 11.329 -0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.575 7.825 2.154 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.007 9.122 0.167 1.00 0.00 H new ATOM 463 N GLY A 31 -4.966 12.456 6.910 1.00 0.00 N ATOM 464 CA GLY A 31 -5.940 13.105 7.771 1.00 0.00 C ATOM 465 C GLY A 31 -7.301 13.206 7.080 1.00 0.00 C ATOM 466 O GLY A 31 -7.884 14.287 7.005 1.00 0.00 O ATOM 0 H GLY A 31 -4.383 11.760 7.375 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.041 12.544 8.700 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.588 14.102 8.037 1.00 0.00 H new ATOM 568 N THR B 3 6.026 -2.440 2.748 1.00 0.00 N ATOM 569 CA THR B 3 5.527 -2.114 4.073 1.00 0.00 C ATOM 570 C THR B 3 4.304 -1.200 3.972 1.00 0.00 C ATOM 571 O THR B 3 4.097 -0.543 2.953 1.00 0.00 O ATOM 572 CB THR B 3 6.677 -1.503 4.874 1.00 0.00 C ATOM 573 OG1 THR B 3 7.192 -0.484 4.021 1.00 0.00 O ATOM 574 CG2 THR B 3 7.850 -2.471 5.047 1.00 0.00 C ATOM 0 HA THR B 3 5.185 -3.006 4.597 1.00 0.00 H new ATOM 0 HB THR B 3 6.312 -1.195 5.854 1.00 0.00 H new ATOM 0 HG1 THR B 3 7.362 -0.857 3.131 1.00 0.00 H new ATOM 0 HG21 THR B 3 8.639 -1.987 5.623 1.00 0.00 H new ATOM 0 HG22 THR B 3 7.511 -3.363 5.574 1.00 0.00 H new ATOM 0 HG23 THR B 3 8.236 -2.753 4.068 1.00 0.00 H new ATOM 582 N LYS B 4 3.524 -1.188 5.043 1.00 0.00 N ATOM 583 CA LYS B 4 2.323 -0.372 5.085 1.00 0.00 C ATOM 584 C LYS B 4 2.698 1.094 4.859 1.00 0.00 C ATOM 585 O LYS B 4 2.030 1.801 4.107 1.00 0.00 O ATOM 586 CB LYS B 4 1.554 -0.617 6.386 1.00 0.00 C ATOM 587 CG LYS B 4 0.568 -1.776 6.230 1.00 0.00 C ATOM 588 CD LYS B 4 1.274 -3.123 6.404 1.00 0.00 C ATOM 589 CE LYS B 4 1.519 -3.793 5.051 1.00 0.00 C ATOM 590 NZ LYS B 4 2.425 -4.953 5.203 1.00 0.00 N ATOM 0 H LYS B 4 3.701 -1.731 5.888 1.00 0.00 H new ATOM 0 HA LYS B 4 1.643 -0.654 4.281 1.00 0.00 H new ATOM 0 HB2 LYS B 4 2.255 -0.837 7.191 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.016 0.287 6.670 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -0.230 -1.681 6.967 1.00 0.00 H new ATOM 0 HG3 LYS B 4 0.100 -1.731 5.246 1.00 0.00 H new ATOM 0 HD2 LYS B 4 2.224 -2.976 6.918 1.00 0.00 H new ATOM 0 HD3 LYS B 4 0.669 -3.776 7.033 1.00 0.00 H new ATOM 0 HE2 LYS B 4 0.571 -4.118 4.623 1.00 0.00 H new ATOM 0 HE3 LYS B 4 1.953 -3.074 4.356 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 2.848 -5.186 4.282 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 3.178 -4.719 5.881 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 1.886 -5.771 5.553 1.00 0.00 H new ATOM 604 N ASP B 5 3.767 1.507 5.525 1.00 0.00 N ATOM 605 CA ASP B 5 4.226 2.882 5.425 1.00 0.00 C ATOM 606 C ASP B 5 4.567 3.196 3.967 1.00 0.00 C ATOM 607 O ASP B 5 4.263 4.282 3.475 1.00 0.00 O ATOM 608 CB ASP B 5 5.486 3.104 6.264 1.00 0.00 C ATOM 609 CG ASP B 5 5.236 3.365 7.750 1.00 0.00 C ATOM 610 OD1 ASP B 5 4.264 4.096 8.042 1.00 0.00 O ATOM 611 OD2 ASP B 5 6.021 2.828 8.561 1.00 0.00 O ATOM 0 H ASP B 5 4.328 0.913 6.136 1.00 0.00 H new ATOM 0 HA ASP B 5 3.430 3.531 5.791 1.00 0.00 H new ATOM 0 HB2 ASP B 5 6.127 2.228 6.167 1.00 0.00 H new ATOM 0 HB3 ASP B 5 6.036 3.949 5.850 1.00 0.00 H new ATOM 616 N GLN B 6 5.193 2.226 3.317 1.00 0.00 N ATOM 617 CA GLN B 6 5.612 2.400 1.936 1.00 0.00 C ATOM 618 C GLN B 6 4.394 2.605 1.034 1.00 0.00 C ATOM 619 O GLN B 6 4.499 3.218 -0.027 1.00 0.00 O ATOM 620 CB GLN B 6 6.451 1.211 1.464 1.00 0.00 C ATOM 621 CG GLN B 6 7.923 1.395 1.839 1.00 0.00 C ATOM 622 CD GLN B 6 8.617 2.363 0.879 1.00 0.00 C ATOM 623 OE1 GLN B 6 8.367 2.379 -0.315 1.00 0.00 O ATOM 624 NE2 GLN B 6 9.499 3.167 1.465 1.00 0.00 N ATOM 0 H GLN B 6 5.420 1.317 3.721 1.00 0.00 H new ATOM 0 HA GLN B 6 6.238 3.290 1.876 1.00 0.00 H new ATOM 0 HB2 GLN B 6 6.070 0.293 1.911 1.00 0.00 H new ATOM 0 HB3 GLN B 6 6.358 1.102 0.383 1.00 0.00 H new ATOM 0 HG2 GLN B 6 7.998 1.773 2.859 1.00 0.00 H new ATOM 0 HG3 GLN B 6 8.430 0.431 1.818 1.00 0.00 H new ATOM 0 HE21 GLN B 6 9.660 3.101 2.470 1.00 0.00 H new ATOM 0 HE22 GLN B 6 10.014 3.850 0.910 1.00 0.00 H new ATOM 633 N ILE B 7 3.266 2.080 1.488 1.00 0.00 N ATOM 634 CA ILE B 7 2.033 2.179 0.725 1.00 0.00 C ATOM 635 C ILE B 7 1.458 3.589 0.875 1.00 0.00 C ATOM 636 O ILE B 7 0.822 4.105 -0.043 1.00 0.00 O ATOM 637 CB ILE B 7 1.059 1.072 1.133 1.00 0.00 C ATOM 638 CG1 ILE B 7 1.604 -0.306 0.749 1.00 0.00 C ATOM 639 CG2 ILE B 7 -0.332 1.322 0.548 1.00 0.00 C ATOM 640 CD1 ILE B 7 0.884 -1.414 1.520 1.00 0.00 C ATOM 0 H ILE B 7 3.180 1.584 2.375 1.00 0.00 H new ATOM 0 HA ILE B 7 2.229 2.024 -0.336 1.00 0.00 H new ATOM 0 HB ILE B 7 0.959 1.088 2.218 1.00 0.00 H new ATOM 0 HG12 ILE B 7 1.481 -0.464 -0.322 1.00 0.00 H new ATOM 0 HG13 ILE B 7 2.673 -0.349 0.957 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -1.005 0.520 0.853 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -0.714 2.275 0.913 1.00 0.00 H new ATOM 0 HG23 ILE B 7 -0.270 1.349 -0.540 1.00 0.00 H new ATOM 0 HD11 ILE B 7 1.290 -2.383 1.229 1.00 0.00 H new ATOM 0 HD12 ILE B 7 1.030 -1.266 2.590 1.00 0.00 H new ATOM 0 HD13 ILE B 7 -0.181 -1.383 1.291 1.00 0.00 H new ATOM 652 N ILE B 8 1.703 4.173 2.039 1.00 0.00 N ATOM 653 CA ILE B 8 1.224 5.516 2.318 1.00 0.00 C ATOM 654 C ILE B 8 1.844 6.492 1.316 1.00 0.00 C ATOM 655 O ILE B 8 1.135 7.280 0.692 1.00 0.00 O ATOM 656 CB ILE B 8 1.485 5.886 3.780 1.00 0.00 C ATOM 657 CG1 ILE B 8 0.816 4.887 4.726 1.00 0.00 C ATOM 658 CG2 ILE B 8 1.053 7.325 4.067 1.00 0.00 C ATOM 659 CD1 ILE B 8 1.062 5.267 6.187 1.00 0.00 C ATOM 0 H ILE B 8 2.227 3.740 2.800 1.00 0.00 H new ATOM 0 HA ILE B 8 0.143 5.569 2.189 1.00 0.00 H new ATOM 0 HB ILE B 8 2.559 5.831 3.960 1.00 0.00 H new ATOM 0 HG12 ILE B 8 -0.256 4.857 4.530 1.00 0.00 H new ATOM 0 HG13 ILE B 8 1.203 3.886 4.537 1.00 0.00 H new ATOM 0 HG21 ILE B 8 1.249 7.562 5.113 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.614 8.007 3.429 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -0.013 7.432 3.865 1.00 0.00 H new ATOM 0 HD11 ILE B 8 0.576 4.541 6.839 1.00 0.00 H new ATOM 0 HD12 ILE B 8 2.134 5.273 6.386 1.00 0.00 H new ATOM 0 HD13 ILE B 8 0.652 6.259 6.379 1.00 0.00 H new ATOM 671 N GLU B 9 3.160 6.408 1.194 1.00 0.00 N ATOM 672 CA GLU B 9 3.886 7.286 0.292 1.00 0.00 C ATOM 673 C GLU B 9 3.542 6.955 -1.162 1.00 0.00 C ATOM 674 O GLU B 9 3.812 7.747 -2.063 1.00 0.00 O ATOM 675 CB GLU B 9 5.394 7.195 0.533 1.00 0.00 C ATOM 676 CG GLU B 9 5.745 7.597 1.967 1.00 0.00 C ATOM 677 CD GLU B 9 7.063 8.373 2.012 1.00 0.00 C ATOM 678 OE1 GLU B 9 8.056 7.838 1.474 1.00 0.00 O ATOM 679 OE2 GLU B 9 7.048 9.485 2.584 1.00 0.00 O ATOM 0 H GLU B 9 3.743 5.745 1.705 1.00 0.00 H new ATOM 0 HA GLU B 9 3.581 8.313 0.493 1.00 0.00 H new ATOM 0 HB2 GLU B 9 5.736 6.178 0.343 1.00 0.00 H new ATOM 0 HB3 GLU B 9 5.918 7.844 -0.169 1.00 0.00 H new ATOM 0 HG2 GLU B 9 4.944 8.208 2.383 1.00 0.00 H new ATOM 0 HG3 GLU B 9 5.822 6.706 2.590 1.00 0.00 H new ATOM 686 N ALA B 10 2.952 5.782 -1.344 1.00 0.00 N ATOM 687 CA ALA B 10 2.591 5.325 -2.675 1.00 0.00 C ATOM 688 C ALA B 10 1.324 6.050 -3.133 1.00 0.00 C ATOM 689 O ALA B 10 1.224 6.467 -4.286 1.00 0.00 O ATOM 690 CB ALA B 10 2.422 3.805 -2.665 1.00 0.00 C ATOM 0 H ALA B 10 2.715 5.135 -0.592 1.00 0.00 H new ATOM 0 HA ALA B 10 3.381 5.560 -3.388 1.00 0.00 H new ATOM 0 HB1 ALA B 10 2.151 3.462 -3.664 1.00 0.00 H new ATOM 0 HB2 ALA B 10 3.359 3.337 -2.362 1.00 0.00 H new ATOM 0 HB3 ALA B 10 1.636 3.531 -1.962 1.00 0.00 H new ATOM 696 N VAL B 11 0.386 6.178 -2.205 1.00 0.00 N ATOM 697 CA VAL B 11 -0.888 6.806 -2.510 1.00 0.00 C ATOM 698 C VAL B 11 -0.692 8.319 -2.625 1.00 0.00 C ATOM 699 O VAL B 11 -1.512 9.011 -3.226 1.00 0.00 O ATOM 700 CB VAL B 11 -1.928 6.417 -1.458 1.00 0.00 C ATOM 701 CG1 VAL B 11 -3.154 7.330 -1.535 1.00 0.00 C ATOM 702 CG2 VAL B 11 -2.330 4.947 -1.602 1.00 0.00 C ATOM 0 H VAL B 11 0.483 5.857 -1.242 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.267 6.453 -3.469 1.00 0.00 H new ATOM 0 HB VAL B 11 -1.475 6.546 -0.475 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.878 7.032 -0.777 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -2.850 8.362 -1.361 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.608 7.247 -2.522 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -3.070 4.696 -0.842 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -2.755 4.781 -2.592 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.451 4.315 -1.475 1.00 0.00 H new ATOM 712 N ALA B 12 0.401 8.788 -2.040 1.00 0.00 N ATOM 713 CA ALA B 12 0.724 10.204 -2.084 1.00 0.00 C ATOM 714 C ALA B 12 1.581 10.490 -3.318 1.00 0.00 C ATOM 715 O ALA B 12 2.091 11.597 -3.482 1.00 0.00 O ATOM 716 CB ALA B 12 1.421 10.609 -0.783 1.00 0.00 C ATOM 0 H ALA B 12 1.074 8.212 -1.533 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.183 10.802 -2.168 1.00 0.00 H new ATOM 0 HB1 ALA B 12 1.664 11.671 -0.816 1.00 0.00 H new ATOM 0 HB2 ALA B 12 0.759 10.414 0.061 1.00 0.00 H new ATOM 0 HB3 ALA B 12 2.338 10.031 -0.666 1.00 0.00 H new ATOM 722 N ALA B 13 1.713 9.471 -4.156 1.00 0.00 N ATOM 723 CA ALA B 13 2.528 9.588 -5.353 1.00 0.00 C ATOM 724 C ALA B 13 1.619 9.795 -6.566 1.00 0.00 C ATOM 725 O ALA B 13 2.024 10.410 -7.552 1.00 0.00 O ATOM 726 CB ALA B 13 3.412 8.346 -5.492 1.00 0.00 C ATOM 0 H ALA B 13 1.269 8.561 -4.029 1.00 0.00 H new ATOM 0 HA ALA B 13 3.188 10.453 -5.285 1.00 0.00 H new ATOM 0 HB1 ALA B 13 4.024 8.433 -6.390 1.00 0.00 H new ATOM 0 HB2 ALA B 13 4.059 8.260 -4.619 1.00 0.00 H new ATOM 0 HB3 ALA B 13 2.784 7.459 -5.566 1.00 0.00 H new ATOM 732 N MET B 14 0.408 9.271 -6.454 1.00 0.00 N ATOM 733 CA MET B 14 -0.553 9.368 -7.540 1.00 0.00 C ATOM 734 C MET B 14 -1.522 10.529 -7.312 1.00 0.00 C ATOM 735 O MET B 14 -1.542 11.124 -6.236 1.00 0.00 O ATOM 736 CB MET B 14 -1.339 8.059 -7.644 1.00 0.00 C ATOM 737 CG MET B 14 -0.406 6.879 -7.924 1.00 0.00 C ATOM 738 SD MET B 14 -0.440 5.736 -6.554 1.00 0.00 S ATOM 739 CE MET B 14 -1.736 4.637 -7.100 1.00 0.00 C ATOM 0 H MET B 14 0.070 8.778 -5.628 1.00 0.00 H new ATOM 0 HA MET B 14 -0.009 9.550 -8.467 1.00 0.00 H new ATOM 0 HB2 MET B 14 -1.884 7.884 -6.717 1.00 0.00 H new ATOM 0 HB3 MET B 14 -2.080 8.138 -8.440 1.00 0.00 H new ATOM 0 HG2 MET B 14 -0.712 6.372 -8.839 1.00 0.00 H new ATOM 0 HG3 MET B 14 0.611 7.238 -8.083 1.00 0.00 H new ATOM 0 HE1 MET B 14 -1.604 3.660 -6.635 1.00 0.00 H new ATOM 0 HE2 MET B 14 -2.705 5.047 -6.815 1.00 0.00 H new ATOM 0 HE3 MET B 14 -1.691 4.532 -8.184 1.00 0.00 H new ATOM 749 N SER B 15 -2.302 10.818 -8.344 1.00 0.00 N ATOM 750 CA SER B 15 -3.255 11.913 -8.278 1.00 0.00 C ATOM 751 C SER B 15 -4.492 11.484 -7.488 1.00 0.00 C ATOM 752 O SER B 15 -4.747 10.291 -7.325 1.00 0.00 O ATOM 753 CB SER B 15 -3.656 12.379 -9.680 1.00 0.00 C ATOM 754 OG SER B 15 -3.500 11.347 -10.650 1.00 0.00 O ATOM 0 H SER B 15 -2.293 10.313 -9.230 1.00 0.00 H new ATOM 0 HA SER B 15 -2.779 12.750 -7.768 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.694 12.712 -9.668 1.00 0.00 H new ATOM 0 HB3 SER B 15 -3.049 13.238 -9.964 1.00 0.00 H new ATOM 0 HG SER B 15 -2.564 11.306 -10.937 1.00 0.00 H new ATOM 760 N VAL B 16 -5.229 12.479 -7.017 1.00 0.00 N ATOM 761 CA VAL B 16 -6.428 12.220 -6.238 1.00 0.00 C ATOM 762 C VAL B 16 -7.367 11.318 -7.042 1.00 0.00 C ATOM 763 O VAL B 16 -7.908 10.349 -6.511 1.00 0.00 O ATOM 764 CB VAL B 16 -7.078 13.541 -5.823 1.00 0.00 C ATOM 765 CG1 VAL B 16 -8.468 13.304 -5.227 1.00 0.00 C ATOM 766 CG2 VAL B 16 -6.186 14.308 -4.845 1.00 0.00 C ATOM 0 H VAL B 16 -5.019 13.467 -7.160 1.00 0.00 H new ATOM 0 HA VAL B 16 -6.179 11.693 -5.317 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.196 14.152 -6.718 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -8.908 14.259 -4.940 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -9.104 12.819 -5.968 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.383 12.665 -4.348 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -6.672 15.243 -4.566 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -6.021 13.704 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -5.228 14.524 -5.319 1.00 0.00 H new ATOM 776 N MET B 17 -7.532 11.668 -8.309 1.00 0.00 N ATOM 777 CA MET B 17 -8.396 10.902 -9.191 1.00 0.00 C ATOM 778 C MET B 17 -7.998 9.425 -9.201 1.00 0.00 C ATOM 779 O MET B 17 -8.853 8.547 -9.100 1.00 0.00 O ATOM 780 CB MET B 17 -8.305 11.466 -10.610 1.00 0.00 C ATOM 781 CG MET B 17 -9.370 12.539 -10.844 1.00 0.00 C ATOM 782 SD MET B 17 -10.922 11.773 -11.281 1.00 0.00 S ATOM 783 CE MET B 17 -12.034 13.139 -10.993 1.00 0.00 C ATOM 0 H MET B 17 -7.082 12.472 -8.746 1.00 0.00 H new ATOM 0 HA MET B 17 -9.420 10.980 -8.825 1.00 0.00 H new ATOM 0 HB2 MET B 17 -7.314 11.890 -10.773 1.00 0.00 H new ATOM 0 HB3 MET B 17 -8.430 10.661 -11.334 1.00 0.00 H new ATOM 0 HG2 MET B 17 -9.493 13.143 -9.945 1.00 0.00 H new ATOM 0 HG3 MET B 17 -9.051 13.213 -11.639 1.00 0.00 H new ATOM 0 HE1 MET B 17 -13.055 12.831 -11.219 1.00 0.00 H new ATOM 0 HE2 MET B 17 -11.970 13.446 -9.949 1.00 0.00 H new ATOM 0 HE3 MET B 17 -11.757 13.975 -11.635 1.00 0.00 H new ATOM 793 N ASP B 18 -6.699 9.196 -9.323 1.00 0.00 N ATOM 794 CA ASP B 18 -6.180 7.840 -9.380 1.00 0.00 C ATOM 795 C ASP B 18 -6.511 7.117 -8.073 1.00 0.00 C ATOM 796 O ASP B 18 -6.705 5.903 -8.063 1.00 0.00 O ATOM 797 CB ASP B 18 -4.659 7.839 -9.549 1.00 0.00 C ATOM 798 CG ASP B 18 -4.033 6.459 -9.760 1.00 0.00 C ATOM 799 OD1 ASP B 18 -4.117 5.647 -8.813 1.00 0.00 O ATOM 800 OD2 ASP B 18 -3.485 6.247 -10.863 1.00 0.00 O ATOM 0 H ASP B 18 -5.990 9.927 -9.384 1.00 0.00 H new ATOM 0 HA ASP B 18 -6.638 7.339 -10.233 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -4.402 8.472 -10.399 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -4.210 8.294 -8.666 1.00 0.00 H new ATOM 805 N VAL B 19 -6.565 7.895 -7.001 1.00 0.00 N ATOM 806 CA VAL B 19 -6.831 7.338 -5.685 1.00 0.00 C ATOM 807 C VAL B 19 -8.327 7.050 -5.552 1.00 0.00 C ATOM 808 O VAL B 19 -8.724 6.129 -4.839 1.00 0.00 O ATOM 809 CB VAL B 19 -6.305 8.282 -4.602 1.00 0.00 C ATOM 810 CG1 VAL B 19 -6.754 7.826 -3.212 1.00 0.00 C ATOM 811 CG2 VAL B 19 -4.781 8.404 -4.673 1.00 0.00 C ATOM 0 H VAL B 19 -6.429 8.906 -7.017 1.00 0.00 H new ATOM 0 HA VAL B 19 -6.305 6.392 -5.556 1.00 0.00 H new ATOM 0 HB VAL B 19 -6.729 9.270 -4.784 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -6.367 8.514 -2.461 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -7.843 7.815 -3.167 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -6.373 6.824 -3.017 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -4.433 9.081 -3.892 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -4.330 7.422 -4.529 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -4.492 8.796 -5.648 1.00 0.00 H new ATOM 821 N VAL B 20 -9.117 7.854 -6.248 1.00 0.00 N ATOM 822 CA VAL B 20 -10.558 7.671 -6.249 1.00 0.00 C ATOM 823 C VAL B 20 -10.905 6.386 -7.004 1.00 0.00 C ATOM 824 O VAL B 20 -11.745 5.607 -6.558 1.00 0.00 O ATOM 825 CB VAL B 20 -11.243 8.909 -6.831 1.00 0.00 C ATOM 826 CG1 VAL B 20 -12.691 8.604 -7.218 1.00 0.00 C ATOM 827 CG2 VAL B 20 -11.173 10.085 -5.854 1.00 0.00 C ATOM 0 H VAL B 20 -8.786 8.634 -6.815 1.00 0.00 H new ATOM 0 HA VAL B 20 -10.929 7.560 -5.230 1.00 0.00 H new ATOM 0 HB VAL B 20 -10.707 9.193 -7.737 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -13.154 9.501 -7.629 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -12.708 7.811 -7.966 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -13.243 8.282 -6.335 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -11.667 10.952 -6.292 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -11.672 9.815 -4.923 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -10.130 10.327 -5.650 1.00 0.00 H new ATOM 837 N GLU B 21 -10.239 6.205 -8.135 1.00 0.00 N ATOM 838 CA GLU B 21 -10.438 5.010 -8.938 1.00 0.00 C ATOM 839 C GLU B 21 -9.966 3.772 -8.172 1.00 0.00 C ATOM 840 O GLU B 21 -10.651 2.751 -8.152 1.00 0.00 O ATOM 841 CB GLU B 21 -9.722 5.128 -10.284 1.00 0.00 C ATOM 842 CG GLU B 21 -10.492 6.047 -11.235 1.00 0.00 C ATOM 843 CD GLU B 21 -9.675 6.341 -12.495 1.00 0.00 C ATOM 844 OE1 GLU B 21 -8.497 6.727 -12.331 1.00 0.00 O ATOM 845 OE2 GLU B 21 -10.246 6.172 -13.594 1.00 0.00 O ATOM 0 H GLU B 21 -9.561 6.866 -8.515 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.504 4.904 -9.140 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.715 5.517 -10.132 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.617 4.140 -10.732 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -11.438 5.580 -11.511 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -10.734 6.981 -10.728 1.00 0.00 H new ATOM 852 N LEU B 22 -8.797 3.904 -7.562 1.00 0.00 N ATOM 853 CA LEU B 22 -8.234 2.815 -6.782 1.00 0.00 C ATOM 854 C LEU B 22 -9.250 2.368 -5.729 1.00 0.00 C ATOM 855 O LEU B 22 -9.728 1.236 -5.764 1.00 0.00 O ATOM 856 CB LEU B 22 -6.880 3.220 -6.196 1.00 0.00 C ATOM 857 CG LEU B 22 -6.098 2.114 -5.484 1.00 0.00 C ATOM 858 CD1 LEU B 22 -4.836 1.744 -6.266 1.00 0.00 C ATOM 859 CD2 LEU B 22 -5.783 2.507 -4.040 1.00 0.00 C ATOM 0 H LEU B 22 -8.225 4.748 -7.592 1.00 0.00 H new ATOM 0 HA LEU B 22 -8.035 1.954 -7.420 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.261 3.614 -7.002 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.041 4.035 -5.491 1.00 0.00 H new ATOM 0 HG LEU B 22 -6.725 1.223 -5.445 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.299 0.956 -5.738 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -5.114 1.391 -7.259 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -4.195 2.621 -6.358 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -5.227 1.703 -3.557 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -5.184 3.418 -4.033 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -6.713 2.680 -3.499 1.00 0.00 H new ATOM 871 N ILE B 23 -9.550 3.282 -4.817 1.00 0.00 N ATOM 872 CA ILE B 23 -10.481 2.987 -3.741 1.00 0.00 C ATOM 873 C ILE B 23 -11.745 2.354 -4.325 1.00 0.00 C ATOM 874 O ILE B 23 -12.212 1.327 -3.836 1.00 0.00 O ATOM 875 CB ILE B 23 -10.749 4.241 -2.907 1.00 0.00 C ATOM 876 CG1 ILE B 23 -9.531 4.605 -2.055 1.00 0.00 C ATOM 877 CG2 ILE B 23 -12.012 4.076 -2.059 1.00 0.00 C ATOM 878 CD1 ILE B 23 -9.697 5.989 -1.424 1.00 0.00 C ATOM 0 H ILE B 23 -9.165 4.226 -4.801 1.00 0.00 H new ATOM 0 HA ILE B 23 -10.050 2.260 -3.052 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.925 5.073 -3.589 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -9.394 3.859 -1.272 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -8.633 4.588 -2.672 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -12.180 4.982 -1.476 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -12.868 3.901 -2.711 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -11.890 3.228 -1.385 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -8.818 6.223 -0.824 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -9.809 6.736 -2.210 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -10.582 5.995 -0.788 1.00 0.00 H new ATOM 890 N SER B 24 -12.264 2.995 -5.362 1.00 0.00 N ATOM 891 CA SER B 24 -13.491 2.533 -5.989 1.00 0.00 C ATOM 892 C SER B 24 -13.330 1.083 -6.449 1.00 0.00 C ATOM 893 O SER B 24 -14.260 0.285 -6.335 1.00 0.00 O ATOM 894 CB SER B 24 -13.875 3.425 -7.172 1.00 0.00 C ATOM 895 OG SER B 24 -14.676 4.532 -6.767 1.00 0.00 O ATOM 0 H SER B 24 -11.858 3.830 -5.784 1.00 0.00 H new ATOM 0 HA SER B 24 -14.292 2.587 -5.252 1.00 0.00 H new ATOM 0 HB2 SER B 24 -12.971 3.790 -7.659 1.00 0.00 H new ATOM 0 HB3 SER B 24 -14.418 2.835 -7.910 1.00 0.00 H new ATOM 0 HG SER B 24 -14.097 5.290 -6.544 1.00 0.00 H new ATOM 901 N ALA B 25 -12.144 0.785 -6.958 1.00 0.00 N ATOM 902 CA ALA B 25 -11.859 -0.547 -7.465 1.00 0.00 C ATOM 903 C ALA B 25 -12.007 -1.562 -6.329 1.00 0.00 C ATOM 904 O ALA B 25 -12.906 -2.402 -6.356 1.00 0.00 O ATOM 905 CB ALA B 25 -10.462 -0.569 -8.088 1.00 0.00 C ATOM 0 H ALA B 25 -11.368 1.443 -7.030 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.568 -0.820 -8.247 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.249 -1.568 -8.468 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.418 0.148 -8.908 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.723 -0.303 -7.333 1.00 0.00 H new ATOM 911 N MET B 26 -11.112 -1.451 -5.359 1.00 0.00 N ATOM 912 CA MET B 26 -11.124 -2.357 -4.223 1.00 0.00 C ATOM 913 C MET B 26 -12.525 -2.457 -3.615 1.00 0.00 C ATOM 914 O MET B 26 -12.976 -3.545 -3.262 1.00 0.00 O ATOM 915 CB MET B 26 -10.141 -1.858 -3.161 1.00 0.00 C ATOM 916 CG MET B 26 -8.695 -2.029 -3.630 1.00 0.00 C ATOM 917 SD MET B 26 -7.586 -1.201 -2.502 1.00 0.00 S ATOM 918 CE MET B 26 -6.083 -1.235 -3.465 1.00 0.00 C ATOM 0 H MET B 26 -10.374 -0.748 -5.336 1.00 0.00 H new ATOM 0 HA MET B 26 -10.827 -3.347 -4.569 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.335 -0.807 -2.945 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.293 -2.408 -2.232 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.445 -3.088 -3.687 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.579 -1.620 -4.634 1.00 0.00 H new ATOM 0 HE1 MET B 26 -5.349 -0.564 -3.018 1.00 0.00 H new ATOM 0 HE2 MET B 26 -5.684 -2.249 -3.481 1.00 0.00 H new ATOM 0 HE3 MET B 26 -6.297 -0.913 -4.484 1.00 0.00 H new ATOM 928 N GLU B 27 -13.174 -1.307 -3.513 1.00 0.00 N ATOM 929 CA GLU B 27 -14.506 -1.248 -2.936 1.00 0.00 C ATOM 930 C GLU B 27 -15.402 -2.319 -3.560 1.00 0.00 C ATOM 931 O GLU B 27 -16.134 -3.011 -2.853 1.00 0.00 O ATOM 932 CB GLU B 27 -15.117 0.145 -3.106 1.00 0.00 C ATOM 933 CG GLU B 27 -14.754 1.050 -1.928 1.00 0.00 C ATOM 934 CD GLU B 27 -15.560 2.350 -1.967 1.00 0.00 C ATOM 935 OE1 GLU B 27 -15.327 3.134 -2.913 1.00 0.00 O ATOM 936 OE2 GLU B 27 -16.389 2.532 -1.050 1.00 0.00 O ATOM 0 H GLU B 27 -12.802 -0.408 -3.820 1.00 0.00 H new ATOM 0 HA GLU B 27 -14.426 -1.445 -1.867 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -14.762 0.591 -4.035 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -16.201 0.063 -3.186 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -14.945 0.527 -0.991 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.688 1.278 -1.954 1.00 0.00 H new ATOM 943 N GLU B 28 -15.316 -2.424 -4.878 1.00 0.00 N ATOM 944 CA GLU B 28 -16.121 -3.389 -5.606 1.00 0.00 C ATOM 945 C GLU B 28 -15.489 -4.780 -5.521 1.00 0.00 C ATOM 946 O GLU B 28 -16.160 -5.751 -5.176 1.00 0.00 O ATOM 947 CB GLU B 28 -16.308 -2.960 -7.063 1.00 0.00 C ATOM 948 CG GLU B 28 -17.509 -3.666 -7.694 1.00 0.00 C ATOM 949 CD GLU B 28 -17.328 -3.813 -9.206 1.00 0.00 C ATOM 950 OE1 GLU B 28 -17.600 -2.815 -9.909 1.00 0.00 O ATOM 951 OE2 GLU B 28 -16.922 -4.918 -9.624 1.00 0.00 O ATOM 0 H GLU B 28 -14.701 -1.856 -5.461 1.00 0.00 H new ATOM 0 HA GLU B 28 -17.108 -3.431 -5.145 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -16.450 -1.880 -7.112 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -15.407 -3.190 -7.632 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -17.635 -4.650 -7.242 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -18.418 -3.101 -7.486 1.00 0.00 H new ATOM 958 N LYS B 29 -14.204 -4.831 -5.842 1.00 0.00 N ATOM 959 CA LYS B 29 -13.484 -6.093 -5.847 1.00 0.00 C ATOM 960 C LYS B 29 -13.764 -6.841 -4.542 1.00 0.00 C ATOM 961 O LYS B 29 -14.367 -7.913 -4.553 1.00 0.00 O ATOM 962 CB LYS B 29 -11.996 -5.860 -6.116 1.00 0.00 C ATOM 963 CG LYS B 29 -11.210 -7.169 -6.019 1.00 0.00 C ATOM 964 CD LYS B 29 -11.416 -8.026 -7.269 1.00 0.00 C ATOM 965 CE LYS B 29 -10.448 -9.211 -7.287 1.00 0.00 C ATOM 966 NZ LYS B 29 -11.181 -10.482 -7.087 1.00 0.00 N ATOM 0 H LYS B 29 -13.643 -4.019 -6.100 1.00 0.00 H new ATOM 0 HA LYS B 29 -13.835 -6.728 -6.660 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -11.866 -5.426 -7.107 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.601 -5.141 -5.399 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.149 -6.952 -5.893 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -11.528 -7.724 -5.137 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -12.443 -8.390 -7.299 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -11.267 -7.417 -8.161 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -9.914 -9.238 -8.237 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -9.700 -9.089 -6.504 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.510 -11.276 -7.102 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -11.671 -10.460 -6.170 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -11.878 -10.604 -7.849 1.00 0.00 H new ATOM 980 N PHE B 30 -13.313 -6.245 -3.448 1.00 0.00 N ATOM 981 CA PHE B 30 -13.457 -6.867 -2.143 1.00 0.00 C ATOM 982 C PHE B 30 -14.909 -6.808 -1.665 1.00 0.00 C ATOM 983 O PHE B 30 -15.278 -7.480 -0.703 1.00 0.00 O ATOM 984 CB PHE B 30 -12.580 -6.076 -1.170 1.00 0.00 C ATOM 985 CG PHE B 30 -11.080 -6.328 -1.339 1.00 0.00 C ATOM 986 CD1 PHE B 30 -10.368 -5.611 -2.249 1.00 0.00 C ATOM 987 CD2 PHE B 30 -10.459 -7.270 -0.578 1.00 0.00 C ATOM 988 CE1 PHE B 30 -8.976 -5.845 -2.405 1.00 0.00 C ATOM 989 CE2 PHE B 30 -9.068 -7.504 -0.735 1.00 0.00 C ATOM 990 CZ PHE B 30 -8.355 -6.786 -1.645 1.00 0.00 C ATOM 0 H PHE B 30 -12.847 -5.337 -3.439 1.00 0.00 H new ATOM 0 HA PHE B 30 -13.162 -7.915 -2.196 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -12.777 -5.012 -1.302 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -12.868 -6.329 -0.150 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -10.861 -4.864 -2.853 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -11.024 -7.839 0.145 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.410 -5.275 -3.128 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -8.575 -8.252 -0.132 1.00 0.00 H new ATOM 0 HZ PHE B 30 -7.296 -6.964 -1.763 1.00 0.00 H new