USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 581 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 22 THR OG1 : rot 151:sc= 1.22 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.29 X(o=0.93,f=1.1) USER MOD Set 2.1: A 7 THR OG1 : rot 124:sc= 1.14 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.834 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 2.21 (180deg=1.5) USER MOD Single : A 2 GLN : amide:sc= 0.159 X(o=0.16,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0063 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= -0.0188 (180deg=-0.0443) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 1.12 (180deg=1.1) USER MOD Single : A 31 GLN : amide:sc= -0.388 X(o=-0.39,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 159:sc= 1.87 (180deg=0.94) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 41 ASN : amide:sc= 0.26 K(o=0.26,f=-0.49) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.27! C(o=-1.3!,f=-1.2!) USER MOD Single : A 55 THR OG1 : rot -63:sc= 1.26 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 167:sc= 0.16 USER MOD Single : A 60 ASN : amide:sc= -0.0775 X(o=-0.078,f=-0.36) USER MOD Single : A 62 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.63) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -84:sc= 1.35 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.112 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.542 -2.586 4.414 1.00 0.00 N ATOM 2 CA MET A 1 -13.289 -2.951 3.003 1.00 0.00 C ATOM 3 C MET A 1 -11.949 -3.673 2.894 1.00 0.00 C ATOM 4 O MET A 1 -11.169 -3.657 3.841 1.00 0.00 O ATOM 5 CB MET A 1 -13.164 -1.712 2.101 1.00 0.00 C ATOM 6 CG MET A 1 -14.373 -0.806 1.908 1.00 0.00 C ATOM 7 SD MET A 1 -15.068 -0.062 3.401 1.00 0.00 S ATOM 8 CE MET A 1 -16.372 0.961 2.669 1.00 0.00 C ATOM 0 H1 MET A 1 -14.237 -1.813 4.453 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.913 -3.412 4.925 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.654 -2.276 4.857 1.00 0.00 H new ATOM 0 HA MET A 1 -14.130 -3.569 2.688 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.355 -1.099 2.497 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.851 -2.055 1.115 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.093 -0.004 1.225 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.157 -1.383 1.417 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.903 1.493 3.458 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.927 1.681 1.982 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.071 0.325 2.125 1.00 0.00 H new ATOM 18 N GLN A 2 -11.626 -4.271 1.744 1.00 0.00 N ATOM 19 CA GLN A 2 -10.354 -4.950 1.518 1.00 0.00 C ATOM 20 C GLN A 2 -9.799 -4.545 0.156 1.00 0.00 C ATOM 21 O GLN A 2 -10.526 -4.004 -0.684 1.00 0.00 O ATOM 22 CB GLN A 2 -10.481 -6.483 1.625 1.00 0.00 C ATOM 23 CG GLN A 2 -11.338 -7.119 0.520 1.00 0.00 C ATOM 24 CD GLN A 2 -11.341 -8.643 0.590 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.782 -9.240 1.566 1.00 0.00 O ATOM 26 NE2 GLN A 2 -10.860 -9.315 -0.444 1.00 0.00 N ATOM 0 H GLN A 2 -12.249 -4.296 0.937 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.662 -4.641 2.302 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.484 -6.923 1.595 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -10.912 -6.735 2.594 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.361 -6.752 0.601 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.963 -6.804 -0.454 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.494 -8.813 -1.253 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -10.855 -10.335 -0.432 1.00 0.00 H new ATOM 35 N ILE A 3 -8.511 -4.801 -0.053 1.00 0.00 N ATOM 36 CA ILE A 3 -7.763 -4.550 -1.280 1.00 0.00 C ATOM 37 C ILE A 3 -6.692 -5.643 -1.366 1.00 0.00 C ATOM 38 O ILE A 3 -6.366 -6.287 -0.360 1.00 0.00 O ATOM 39 CB ILE A 3 -7.163 -3.120 -1.388 1.00 0.00 C ATOM 40 CG1 ILE A 3 -5.868 -2.854 -0.588 1.00 0.00 C ATOM 41 CG2 ILE A 3 -8.190 -2.014 -1.101 1.00 0.00 C ATOM 42 CD1 ILE A 3 -5.982 -3.037 0.920 1.00 0.00 C ATOM 0 H ILE A 3 -7.927 -5.214 0.674 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.443 -4.591 -2.131 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.870 -3.082 -2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.088 -3.519 -0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.540 -1.834 -0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.710 -1.039 -1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.009 -2.084 -1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.580 -2.133 -0.090 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.019 -2.826 1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.733 -2.353 1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.275 -4.063 1.141 1.00 0.00 H new ATOM 54 N PHE A 4 -6.154 -5.859 -2.560 1.00 0.00 N ATOM 55 CA PHE A 4 -5.117 -6.848 -2.820 1.00 0.00 C ATOM 56 C PHE A 4 -3.819 -6.079 -3.017 1.00 0.00 C ATOM 57 O PHE A 4 -3.841 -4.967 -3.544 1.00 0.00 O ATOM 58 CB PHE A 4 -5.496 -7.689 -4.046 1.00 0.00 C ATOM 59 CG PHE A 4 -6.897 -8.264 -3.953 1.00 0.00 C ATOM 60 CD1 PHE A 4 -7.220 -9.158 -2.914 1.00 0.00 C ATOM 61 CD2 PHE A 4 -7.897 -7.845 -4.852 1.00 0.00 C ATOM 62 CE1 PHE A 4 -8.542 -9.608 -2.757 1.00 0.00 C ATOM 63 CE2 PHE A 4 -9.216 -8.306 -4.702 1.00 0.00 C ATOM 64 CZ PHE A 4 -9.541 -9.179 -3.650 1.00 0.00 C ATOM 0 H PHE A 4 -6.433 -5.340 -3.392 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.000 -7.549 -1.994 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.420 -7.073 -4.942 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.780 -8.504 -4.158 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.451 -9.498 -2.237 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.650 -7.169 -5.657 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.791 -10.283 -1.951 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.981 -7.989 -5.396 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.558 -9.521 -3.527 1.00 0.00 H new ATOM 74 N VAL A 5 -2.692 -6.662 -2.620 1.00 0.00 N ATOM 75 CA VAL A 5 -1.380 -6.053 -2.724 1.00 0.00 C ATOM 76 C VAL A 5 -0.392 -7.092 -3.251 1.00 0.00 C ATOM 77 O VAL A 5 -0.174 -8.122 -2.609 1.00 0.00 O ATOM 78 CB VAL A 5 -0.939 -5.472 -1.363 1.00 0.00 C ATOM 79 CG1 VAL A 5 0.312 -4.609 -1.570 1.00 0.00 C ATOM 80 CG2 VAL A 5 -2.014 -4.614 -0.672 1.00 0.00 C ATOM 0 H VAL A 5 -2.671 -7.595 -2.207 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.412 -5.219 -3.425 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.746 -6.325 -0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.630 -4.195 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.112 -5.222 -1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.083 -3.796 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.628 -4.243 0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.274 -3.771 -1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.902 -5.220 -0.491 1.00 0.00 H new ATOM 90 N LYS A 6 0.165 -6.852 -4.439 1.00 0.00 N ATOM 91 CA LYS A 6 1.144 -7.723 -5.072 1.00 0.00 C ATOM 92 C LYS A 6 2.491 -7.427 -4.418 1.00 0.00 C ATOM 93 O LYS A 6 2.816 -6.257 -4.209 1.00 0.00 O ATOM 94 CB LYS A 6 1.207 -7.439 -6.585 1.00 0.00 C ATOM 95 CG LYS A 6 1.952 -8.546 -7.345 1.00 0.00 C ATOM 96 CD LYS A 6 1.084 -9.801 -7.526 1.00 0.00 C ATOM 97 CE LYS A 6 0.453 -9.857 -8.918 1.00 0.00 C ATOM 98 NZ LYS A 6 1.400 -10.382 -9.919 1.00 0.00 N ATOM 0 H LYS A 6 -0.060 -6.028 -4.996 1.00 0.00 H new ATOM 0 HA LYS A 6 0.875 -8.772 -4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.195 -7.346 -6.979 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.704 -6.484 -6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.258 -8.173 -8.322 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.861 -8.808 -6.805 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.693 -10.691 -7.367 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.299 -9.813 -6.770 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.436 -10.487 -8.891 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.127 -8.859 -9.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.941 -10.407 -10.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.237 -9.766 -9.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.691 -11.344 -9.651 1.00 0.00 H new ATOM 112 N THR A 7 3.269 -8.452 -4.097 1.00 0.00 N ATOM 113 CA THR A 7 4.572 -8.325 -3.466 1.00 0.00 C ATOM 114 C THR A 7 5.699 -8.442 -4.487 1.00 0.00 C ATOM 115 O THR A 7 5.488 -8.915 -5.610 1.00 0.00 O ATOM 116 CB THR A 7 4.718 -9.427 -2.405 1.00 0.00 C ATOM 117 OG1 THR A 7 4.638 -10.693 -3.022 1.00 0.00 O ATOM 118 CG2 THR A 7 3.649 -9.337 -1.311 1.00 0.00 C ATOM 0 H THR A 7 3.002 -9.420 -4.274 1.00 0.00 H new ATOM 0 HA THR A 7 4.642 -7.340 -3.004 1.00 0.00 H new ATOM 0 HB THR A 7 5.690 -9.288 -1.931 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.438 -11.215 -2.803 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.800 -10.139 -0.588 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.726 -8.374 -0.806 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.660 -9.434 -1.760 1.00 0.00 H new ATOM 126 N LEU A 8 6.917 -8.055 -4.087 1.00 0.00 N ATOM 127 CA LEU A 8 8.087 -8.152 -4.961 1.00 0.00 C ATOM 128 C LEU A 8 8.441 -9.619 -5.210 1.00 0.00 C ATOM 129 O LEU A 8 9.074 -9.931 -6.221 1.00 0.00 O ATOM 130 CB LEU A 8 9.300 -7.406 -4.379 1.00 0.00 C ATOM 131 CG LEU A 8 9.304 -5.895 -4.664 1.00 0.00 C ATOM 132 CD1 LEU A 8 10.537 -5.262 -4.008 1.00 0.00 C ATOM 133 CD2 LEU A 8 9.348 -5.590 -6.166 1.00 0.00 C ATOM 0 H LEU A 8 7.115 -7.672 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 8 7.830 -7.677 -5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.325 -7.561 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.212 -7.844 -4.786 1.00 0.00 H new ATOM 0 HG LEU A 8 8.381 -5.483 -4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.545 -4.190 -4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.504 -5.431 -2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.440 -5.714 -4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.349 -4.511 -6.318 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.252 -6.018 -6.598 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.474 -6.024 -6.651 1.00 0.00 H new ATOM 145 N THR A 9 8.002 -10.532 -4.341 1.00 0.00 N ATOM 146 CA THR A 9 8.251 -11.956 -4.495 1.00 0.00 C ATOM 147 C THR A 9 7.335 -12.547 -5.580 1.00 0.00 C ATOM 148 O THR A 9 7.470 -13.723 -5.917 1.00 0.00 O ATOM 149 CB THR A 9 8.093 -12.663 -3.138 1.00 0.00 C ATOM 150 OG1 THR A 9 6.807 -12.454 -2.579 1.00 0.00 O ATOM 151 CG2 THR A 9 9.133 -12.149 -2.141 1.00 0.00 C ATOM 0 H THR A 9 7.462 -10.297 -3.508 1.00 0.00 H new ATOM 0 HA THR A 9 9.276 -12.116 -4.828 1.00 0.00 H new ATOM 0 HB THR A 9 8.234 -13.728 -3.323 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.745 -12.919 -1.719 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.006 -12.660 -1.187 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.134 -12.343 -2.527 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.001 -11.076 -1.998 1.00 0.00 H new ATOM 159 N GLY A 10 6.413 -11.755 -6.145 1.00 0.00 N ATOM 160 CA GLY A 10 5.483 -12.183 -7.176 1.00 0.00 C ATOM 161 C GLY A 10 4.302 -12.912 -6.554 1.00 0.00 C ATOM 162 O GLY A 10 3.785 -13.864 -7.144 1.00 0.00 O ATOM 0 H GLY A 10 6.298 -10.776 -5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.130 -11.318 -7.738 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.991 -12.838 -7.884 1.00 0.00 H new ATOM 166 N LYS A 11 3.902 -12.524 -5.342 1.00 0.00 N ATOM 167 CA LYS A 11 2.800 -13.102 -4.581 1.00 0.00 C ATOM 168 C LYS A 11 1.748 -12.026 -4.355 1.00 0.00 C ATOM 169 O LYS A 11 1.972 -10.872 -4.717 1.00 0.00 O ATOM 170 CB LYS A 11 3.360 -13.582 -3.231 1.00 0.00 C ATOM 171 CG LYS A 11 2.603 -14.781 -2.650 1.00 0.00 C ATOM 172 CD LYS A 11 3.043 -15.072 -1.214 1.00 0.00 C ATOM 173 CE LYS A 11 2.448 -14.078 -0.210 1.00 0.00 C ATOM 174 NZ LYS A 11 2.903 -14.395 1.160 1.00 0.00 N ATOM 0 H LYS A 11 4.361 -11.762 -4.843 1.00 0.00 H new ATOM 0 HA LYS A 11 2.348 -13.938 -5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.409 -13.850 -3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.324 -12.759 -2.518 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.531 -14.583 -2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.777 -15.660 -3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.742 -16.084 -0.942 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.131 -15.037 -1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.746 -13.063 -0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.360 -14.113 -0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.492 -13.713 1.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.597 -15.356 1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.941 -14.339 1.203 1.00 0.00 H new ATOM 188 N THR A 12 0.618 -12.365 -3.743 1.00 0.00 N ATOM 189 CA THR A 12 -0.424 -11.395 -3.448 1.00 0.00 C ATOM 190 C THR A 12 -0.877 -11.617 -2.012 1.00 0.00 C ATOM 191 O THR A 12 -0.988 -12.756 -1.547 1.00 0.00 O ATOM 192 CB THR A 12 -1.590 -11.442 -4.456 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.121 -11.674 -5.769 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.339 -10.105 -4.449 1.00 0.00 C ATOM 0 H THR A 12 0.402 -13.315 -3.440 1.00 0.00 H new ATOM 0 HA THR A 12 -0.021 -10.387 -3.552 1.00 0.00 H new ATOM 0 HB THR A 12 -2.250 -12.256 -4.158 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.881 -11.701 -6.388 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.161 -10.145 -5.163 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.734 -9.914 -3.451 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.655 -9.303 -4.728 1.00 0.00 H new ATOM 202 N ILE A 13 -1.122 -10.524 -1.299 1.00 0.00 N ATOM 203 CA ILE A 13 -1.576 -10.483 0.083 1.00 0.00 C ATOM 204 C ILE A 13 -2.837 -9.613 0.073 1.00 0.00 C ATOM 205 O ILE A 13 -2.968 -8.723 -0.769 1.00 0.00 O ATOM 206 CB ILE A 13 -0.450 -9.911 0.986 1.00 0.00 C ATOM 207 CG1 ILE A 13 0.824 -10.791 0.906 1.00 0.00 C ATOM 208 CG2 ILE A 13 -0.909 -9.774 2.451 1.00 0.00 C ATOM 209 CD1 ILE A 13 2.024 -10.279 1.718 1.00 0.00 C ATOM 0 H ILE A 13 -1.002 -9.591 -1.693 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.808 -11.468 0.489 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.213 -8.915 0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.575 -11.795 1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.122 -10.876 -0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.094 -9.371 3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.765 -9.101 2.503 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.193 -10.753 2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.864 -10.963 1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.308 -9.289 1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.752 -10.222 2.772 1.00 0.00 H new ATOM 221 N THR A 14 -3.770 -9.876 0.979 1.00 0.00 N ATOM 222 CA THR A 14 -5.013 -9.127 1.114 1.00 0.00 C ATOM 223 C THR A 14 -4.917 -8.363 2.431 1.00 0.00 C ATOM 224 O THR A 14 -4.350 -8.889 3.390 1.00 0.00 O ATOM 225 CB THR A 14 -6.211 -10.089 1.108 1.00 0.00 C ATOM 226 OG1 THR A 14 -6.075 -11.034 0.065 1.00 0.00 O ATOM 227 CG2 THR A 14 -7.537 -9.350 0.908 1.00 0.00 C ATOM 0 H THR A 14 -3.682 -10.634 1.656 1.00 0.00 H new ATOM 0 HA THR A 14 -5.160 -8.435 0.284 1.00 0.00 H new ATOM 0 HB THR A 14 -6.222 -10.584 2.079 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.843 -11.642 0.072 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.357 -10.068 0.910 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.680 -8.633 1.717 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.519 -8.822 -0.046 1.00 0.00 H new ATOM 235 N LEU A 15 -5.416 -7.128 2.483 1.00 0.00 N ATOM 236 CA LEU A 15 -5.408 -6.296 3.686 1.00 0.00 C ATOM 237 C LEU A 15 -6.803 -5.701 3.832 1.00 0.00 C ATOM 238 O LEU A 15 -7.515 -5.557 2.835 1.00 0.00 O ATOM 239 CB LEU A 15 -4.387 -5.145 3.611 1.00 0.00 C ATOM 240 CG LEU A 15 -2.952 -5.495 3.190 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.165 -4.196 2.994 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.221 -6.354 4.223 1.00 0.00 C ATOM 0 H LEU A 15 -5.844 -6.671 1.678 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.125 -6.919 4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.770 -4.401 2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.343 -4.670 4.591 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.017 -6.073 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.144 -4.431 2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.641 -3.596 2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.149 -3.636 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.212 -6.569 3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.167 -5.817 5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.762 -7.289 4.367 1.00 0.00 H new ATOM 254 N GLU A 16 -7.161 -5.299 5.048 1.00 0.00 N ATOM 255 CA GLU A 16 -8.452 -4.707 5.372 1.00 0.00 C ATOM 256 C GLU A 16 -8.239 -3.234 5.706 1.00 0.00 C ATOM 257 O GLU A 16 -7.339 -2.908 6.481 1.00 0.00 O ATOM 258 CB GLU A 16 -9.058 -5.483 6.534 1.00 0.00 C ATOM 259 CG GLU A 16 -10.492 -5.037 6.812 1.00 0.00 C ATOM 260 CD GLU A 16 -11.145 -5.963 7.823 1.00 0.00 C ATOM 261 OE1 GLU A 16 -11.428 -7.121 7.453 1.00 0.00 O ATOM 262 OE2 GLU A 16 -11.407 -5.511 8.963 1.00 0.00 O ATOM 0 H GLU A 16 -6.543 -5.379 5.856 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.146 -4.762 4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.044 -6.549 6.309 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.450 -5.338 7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.495 -4.015 7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.066 -5.036 5.885 1.00 0.00 H new ATOM 269 N VAL A 17 -9.037 -2.344 5.124 1.00 0.00 N ATOM 270 CA VAL A 17 -8.959 -0.898 5.292 1.00 0.00 C ATOM 271 C VAL A 17 -10.352 -0.259 5.211 1.00 0.00 C ATOM 272 O VAL A 17 -11.340 -0.933 4.917 1.00 0.00 O ATOM 273 CB VAL A 17 -8.082 -0.341 4.141 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.635 -0.860 4.145 1.00 0.00 C ATOM 275 CG2 VAL A 17 -8.695 -0.626 2.750 1.00 0.00 C ATOM 0 H VAL A 17 -9.789 -2.624 4.494 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.535 -0.666 6.269 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.057 0.732 4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.089 -0.423 3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.151 -0.580 5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.638 -1.946 4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.046 -0.217 1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.794 -1.702 2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.678 -0.159 2.683 1.00 0.00 H new ATOM 285 N GLU A 18 -10.429 1.053 5.421 1.00 0.00 N ATOM 286 CA GLU A 18 -11.644 1.852 5.339 1.00 0.00 C ATOM 287 C GLU A 18 -11.283 3.116 4.544 1.00 0.00 C ATOM 288 O GLU A 18 -10.106 3.468 4.468 1.00 0.00 O ATOM 289 CB GLU A 18 -12.210 2.220 6.711 1.00 0.00 C ATOM 290 CG GLU A 18 -12.880 1.041 7.437 1.00 0.00 C ATOM 291 CD GLU A 18 -14.207 0.570 6.827 1.00 0.00 C ATOM 292 OE1 GLU A 18 -14.417 -0.668 6.758 1.00 0.00 O ATOM 293 OE2 GLU A 18 -15.072 1.425 6.519 1.00 0.00 O ATOM 0 H GLU A 18 -9.610 1.610 5.663 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.428 1.274 4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.405 2.610 7.334 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.937 3.023 6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.186 0.201 7.450 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.056 1.326 8.474 1.00 0.00 H new ATOM 300 N PRO A 19 -12.257 3.820 3.955 1.00 0.00 N ATOM 301 CA PRO A 19 -12.031 5.023 3.154 1.00 0.00 C ATOM 302 C PRO A 19 -11.293 6.152 3.888 1.00 0.00 C ATOM 303 O PRO A 19 -10.480 6.849 3.273 1.00 0.00 O ATOM 304 CB PRO A 19 -13.423 5.464 2.687 1.00 0.00 C ATOM 305 CG PRO A 19 -14.265 4.192 2.820 1.00 0.00 C ATOM 306 CD PRO A 19 -13.662 3.471 3.994 1.00 0.00 C ATOM 0 HA PRO A 19 -11.362 4.792 2.325 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.816 6.272 3.304 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.405 5.828 1.660 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.315 4.426 2.993 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.218 3.587 1.914 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.122 3.785 4.931 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -13.805 2.393 3.914 1.00 0.00 H new ATOM 314 N SER A 20 -11.562 6.335 5.184 1.00 0.00 N ATOM 315 CA SER A 20 -10.925 7.369 5.993 1.00 0.00 C ATOM 316 C SER A 20 -9.543 6.963 6.497 1.00 0.00 C ATOM 317 O SER A 20 -8.826 7.826 7.001 1.00 0.00 O ATOM 318 CB SER A 20 -11.819 7.734 7.182 1.00 0.00 C ATOM 319 OG SER A 20 -13.069 8.212 6.730 1.00 0.00 O ATOM 0 H SER A 20 -12.232 5.765 5.701 1.00 0.00 H new ATOM 0 HA SER A 20 -10.790 8.234 5.344 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.965 6.860 7.817 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.331 8.494 7.792 1.00 0.00 H new ATOM 0 HG SER A 20 -13.630 8.440 7.500 1.00 0.00 H new ATOM 325 N ASP A 21 -9.153 5.687 6.410 1.00 0.00 N ATOM 326 CA ASP A 21 -7.836 5.290 6.897 1.00 0.00 C ATOM 327 C ASP A 21 -6.751 5.913 6.021 1.00 0.00 C ATOM 328 O ASP A 21 -6.845 5.943 4.787 1.00 0.00 O ATOM 329 CB ASP A 21 -7.674 3.765 7.028 1.00 0.00 C ATOM 330 CG ASP A 21 -8.154 3.227 8.381 1.00 0.00 C ATOM 331 OD1 ASP A 21 -8.733 2.117 8.417 1.00 0.00 O ATOM 332 OD2 ASP A 21 -7.944 3.887 9.429 1.00 0.00 O ATOM 0 H ASP A 21 -9.716 4.932 6.017 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.729 5.674 7.912 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.232 3.276 6.230 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.625 3.503 6.890 1.00 0.00 H new ATOM 337 N THR A 22 -5.731 6.467 6.676 1.00 0.00 N ATOM 338 CA THR A 22 -4.609 7.088 5.995 1.00 0.00 C ATOM 339 C THR A 22 -3.732 5.983 5.421 1.00 0.00 C ATOM 340 O THR A 22 -3.716 4.872 5.964 1.00 0.00 O ATOM 341 CB THR A 22 -3.807 7.967 6.962 1.00 0.00 C ATOM 342 OG1 THR A 22 -3.553 7.264 8.158 1.00 0.00 O ATOM 343 CG2 THR A 22 -4.534 9.264 7.302 1.00 0.00 C ATOM 0 H THR A 22 -5.665 6.495 7.693 1.00 0.00 H new ATOM 0 HA THR A 22 -4.971 7.731 5.193 1.00 0.00 H new ATOM 0 HB THR A 22 -2.873 8.219 6.460 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.714 7.582 8.552 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.926 9.852 7.990 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.705 9.835 6.390 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.491 9.033 7.770 1.00 0.00 H new ATOM 351 N ILE A 23 -2.934 6.290 4.391 1.00 0.00 N ATOM 352 CA ILE A 23 -2.031 5.319 3.771 1.00 0.00 C ATOM 353 C ILE A 23 -1.054 4.759 4.822 1.00 0.00 C ATOM 354 O ILE A 23 -0.478 3.699 4.610 1.00 0.00 O ATOM 355 CB ILE A 23 -1.334 5.936 2.538 1.00 0.00 C ATOM 356 CG1 ILE A 23 -2.335 6.432 1.466 1.00 0.00 C ATOM 357 CG2 ILE A 23 -0.308 4.982 1.893 1.00 0.00 C ATOM 358 CD1 ILE A 23 -3.386 5.418 1.002 1.00 0.00 C ATOM 0 H ILE A 23 -2.898 7.217 3.966 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.601 4.469 3.397 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.797 6.802 2.926 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.853 7.307 1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.769 6.762 0.595 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.150 5.469 1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.464 4.731 2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.811 4.071 1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.029 5.878 0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.888 4.550 0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.989 5.104 1.854 1.00 0.00 H new ATOM 370 N GLU A 24 -0.879 5.444 5.953 1.00 0.00 N ATOM 371 CA GLU A 24 -0.035 5.060 7.075 1.00 0.00 C ATOM 372 C GLU A 24 -0.506 3.683 7.562 1.00 0.00 C ATOM 373 O GLU A 24 0.286 2.751 7.668 1.00 0.00 O ATOM 374 CB GLU A 24 -0.201 6.105 8.190 1.00 0.00 C ATOM 375 CG GLU A 24 0.096 7.544 7.740 1.00 0.00 C ATOM 376 CD GLU A 24 -0.364 8.569 8.771 1.00 0.00 C ATOM 377 OE1 GLU A 24 -1.555 8.546 9.160 1.00 0.00 O ATOM 378 OE2 GLU A 24 0.463 9.404 9.197 1.00 0.00 O ATOM 0 H GLU A 24 -1.352 6.333 6.115 1.00 0.00 H new ATOM 0 HA GLU A 24 1.015 5.011 6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.221 6.057 8.572 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.461 5.849 9.017 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.166 7.657 7.568 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.401 7.737 6.789 1.00 0.00 H new ATOM 385 N ASN A 25 -1.821 3.538 7.773 1.00 0.00 N ATOM 386 CA ASN A 25 -2.477 2.312 8.232 1.00 0.00 C ATOM 387 C ASN A 25 -2.206 1.191 7.257 1.00 0.00 C ATOM 388 O ASN A 25 -1.882 0.071 7.622 1.00 0.00 O ATOM 389 CB ASN A 25 -4.011 2.456 8.282 1.00 0.00 C ATOM 390 CG ASN A 25 -4.399 3.342 9.424 1.00 0.00 C ATOM 391 OD1 ASN A 25 -4.699 2.872 10.516 1.00 0.00 O ATOM 392 ND2 ASN A 25 -4.292 4.631 9.205 1.00 0.00 N ATOM 0 H ASN A 25 -2.480 4.302 7.622 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.082 2.110 9.228 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.377 2.874 7.344 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.474 1.476 8.396 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.461 5.293 9.962 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.039 4.971 8.277 1.00 0.00 H new ATOM 399 N VAL A 26 -2.400 1.496 5.984 1.00 0.00 N ATOM 400 CA VAL A 26 -2.233 0.595 4.864 1.00 0.00 C ATOM 401 C VAL A 26 -0.777 0.111 4.824 1.00 0.00 C ATOM 402 O VAL A 26 -0.526 -1.086 4.685 1.00 0.00 O ATOM 403 CB VAL A 26 -2.746 1.312 3.596 1.00 0.00 C ATOM 404 CG1 VAL A 26 -3.003 0.290 2.478 1.00 0.00 C ATOM 405 CG2 VAL A 26 -4.052 2.100 3.879 1.00 0.00 C ATOM 0 H VAL A 26 -2.694 2.429 5.693 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.825 -0.316 4.950 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.977 2.018 3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.364 0.807 1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.076 -0.232 2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.751 -0.430 2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.385 2.592 2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.825 1.412 4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.865 2.850 4.648 1.00 0.00 H new ATOM 415 N LYS A 27 0.184 1.025 4.986 1.00 0.00 N ATOM 416 CA LYS A 27 1.614 0.744 5.003 1.00 0.00 C ATOM 417 C LYS A 27 1.929 -0.109 6.239 1.00 0.00 C ATOM 418 O LYS A 27 2.747 -1.022 6.158 1.00 0.00 O ATOM 419 CB LYS A 27 2.370 2.080 4.952 1.00 0.00 C ATOM 420 CG LYS A 27 3.897 1.928 4.869 1.00 0.00 C ATOM 421 CD LYS A 27 4.608 3.241 4.505 1.00 0.00 C ATOM 422 CE LYS A 27 4.162 4.407 5.396 1.00 0.00 C ATOM 423 NZ LYS A 27 4.933 5.640 5.146 1.00 0.00 N ATOM 0 H LYS A 27 -0.025 2.015 5.113 1.00 0.00 H new ATOM 0 HA LYS A 27 1.937 0.167 4.137 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.024 2.650 4.089 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.120 2.662 5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.274 1.569 5.827 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.142 1.169 4.126 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.686 3.107 4.598 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.406 3.485 3.462 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.103 4.604 5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.270 4.122 6.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.527 6.422 5.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.923 5.494 5.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.894 5.875 4.134 1.00 0.00 H new ATOM 437 N ALA A 28 1.275 0.141 7.372 1.00 0.00 N ATOM 438 CA ALA A 28 1.464 -0.609 8.604 1.00 0.00 C ATOM 439 C ALA A 28 0.916 -2.035 8.437 1.00 0.00 C ATOM 440 O ALA A 28 1.556 -3.008 8.839 1.00 0.00 O ATOM 441 CB ALA A 28 0.773 0.129 9.757 1.00 0.00 C ATOM 0 H ALA A 28 0.585 0.887 7.457 1.00 0.00 H new ATOM 0 HA ALA A 28 2.526 -0.687 8.835 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.912 -0.430 10.682 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.207 1.123 9.865 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.292 0.219 9.545 1.00 0.00 H new ATOM 447 N LYS A 29 -0.249 -2.185 7.800 1.00 0.00 N ATOM 448 CA LYS A 29 -0.912 -3.467 7.557 1.00 0.00 C ATOM 449 C LYS A 29 -0.095 -4.351 6.622 1.00 0.00 C ATOM 450 O LYS A 29 -0.177 -5.573 6.770 1.00 0.00 O ATOM 451 CB LYS A 29 -2.329 -3.228 7.023 1.00 0.00 C ATOM 452 CG LYS A 29 -3.278 -2.731 8.128 1.00 0.00 C ATOM 453 CD LYS A 29 -4.447 -1.968 7.501 1.00 0.00 C ATOM 454 CE LYS A 29 -5.406 -1.407 8.556 1.00 0.00 C ATOM 455 NZ LYS A 29 -6.387 -2.395 9.046 1.00 0.00 N ATOM 0 H LYS A 29 -0.772 -1.392 7.428 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.989 -4.004 8.502 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.295 -2.496 6.216 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.718 -4.153 6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.651 -3.576 8.707 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.739 -2.084 8.820 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.060 -1.150 6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.994 -2.632 6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.826 -1.033 9.400 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.940 -0.556 8.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.046 -1.933 9.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.918 -2.785 8.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.889 -3.164 9.537 1.00 0.00 H new ATOM 469 N ILE A 30 0.651 -3.791 5.658 1.00 0.00 N ATOM 470 CA ILE A 30 1.477 -4.626 4.789 1.00 0.00 C ATOM 471 C ILE A 30 2.722 -5.013 5.590 1.00 0.00 C ATOM 472 O ILE A 30 3.094 -6.186 5.576 1.00 0.00 O ATOM 473 CB ILE A 30 1.796 -3.991 3.417 1.00 0.00 C ATOM 474 CG1 ILE A 30 2.691 -4.903 2.553 1.00 0.00 C ATOM 475 CG2 ILE A 30 2.440 -2.606 3.501 1.00 0.00 C ATOM 476 CD1 ILE A 30 2.036 -6.237 2.169 1.00 0.00 C ATOM 0 H ILE A 30 0.697 -2.790 5.467 1.00 0.00 H new ATOM 0 HA ILE A 30 0.920 -5.520 4.507 1.00 0.00 H new ATOM 0 HB ILE A 30 0.820 -3.872 2.947 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.965 -4.369 1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.615 -5.106 3.094 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.631 -2.232 2.495 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.768 -1.923 4.020 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.381 -2.675 4.047 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.728 -6.821 1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.787 -6.793 3.073 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.127 -6.045 1.599 1.00 0.00 H new ATOM 488 N GLN A 31 3.339 -4.071 6.322 1.00 0.00 N ATOM 489 CA GLN A 31 4.524 -4.348 7.135 1.00 0.00 C ATOM 490 C GLN A 31 4.221 -5.479 8.119 1.00 0.00 C ATOM 491 O GLN A 31 5.063 -6.343 8.343 1.00 0.00 O ATOM 492 CB GLN A 31 4.972 -3.104 7.904 1.00 0.00 C ATOM 493 CG GLN A 31 5.728 -2.078 7.060 1.00 0.00 C ATOM 494 CD GLN A 31 6.035 -0.842 7.906 1.00 0.00 C ATOM 495 OE1 GLN A 31 6.972 -0.815 8.700 1.00 0.00 O ATOM 496 NE2 GLN A 31 5.198 0.178 7.832 1.00 0.00 N ATOM 0 H GLN A 31 3.028 -3.100 6.364 1.00 0.00 H new ATOM 0 HA GLN A 31 5.332 -4.645 6.467 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.095 -2.624 8.337 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.608 -3.414 8.733 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.654 -2.513 6.685 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.132 -1.797 6.191 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.421 0.153 7.172 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.329 0.990 8.435 1.00 0.00 H new ATOM 505 N ASP A 32 2.994 -5.535 8.637 1.00 0.00 N ATOM 506 CA ASP A 32 2.523 -6.553 9.572 1.00 0.00 C ATOM 507 C ASP A 32 2.631 -7.984 9.008 1.00 0.00 C ATOM 508 O ASP A 32 2.582 -8.945 9.771 1.00 0.00 O ATOM 509 CB ASP A 32 1.074 -6.209 9.949 1.00 0.00 C ATOM 510 CG ASP A 32 0.347 -7.279 10.756 1.00 0.00 C ATOM 511 OD1 ASP A 32 -0.532 -7.953 10.170 1.00 0.00 O ATOM 512 OD2 ASP A 32 0.541 -7.339 11.992 1.00 0.00 O ATOM 0 H ASP A 32 2.276 -4.847 8.408 1.00 0.00 H new ATOM 0 HA ASP A 32 3.162 -6.545 10.455 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.074 -5.281 10.521 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.512 -6.020 9.035 1.00 0.00 H new ATOM 517 N LYS A 33 2.814 -8.135 7.690 1.00 0.00 N ATOM 518 CA LYS A 33 2.930 -9.403 6.965 1.00 0.00 C ATOM 519 C LYS A 33 4.175 -9.432 6.075 1.00 0.00 C ATOM 520 O LYS A 33 4.353 -10.393 5.326 1.00 0.00 O ATOM 521 CB LYS A 33 1.678 -9.578 6.086 1.00 0.00 C ATOM 522 CG LYS A 33 0.363 -9.578 6.880 1.00 0.00 C ATOM 523 CD LYS A 33 -0.830 -9.232 5.985 1.00 0.00 C ATOM 524 CE LYS A 33 -2.085 -8.883 6.789 1.00 0.00 C ATOM 525 NZ LYS A 33 -1.886 -7.725 7.689 1.00 0.00 N ATOM 0 H LYS A 33 2.889 -7.330 7.068 1.00 0.00 H new ATOM 0 HA LYS A 33 3.017 -10.212 7.691 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.647 -8.776 5.349 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.760 -10.515 5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.209 -10.558 7.332 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.429 -8.858 7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.567 -8.390 5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.045 -10.076 5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.903 -8.667 6.102 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.385 -9.749 7.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.809 -7.311 7.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.408 -8.039 8.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.301 -7.010 7.211 1.00 0.00 H new ATOM 539 N GLU A 34 5.037 -8.415 6.132 1.00 0.00 N ATOM 540 CA GLU A 34 6.247 -8.297 5.317 1.00 0.00 C ATOM 541 C GLU A 34 7.504 -8.153 6.190 1.00 0.00 C ATOM 542 O GLU A 34 8.583 -8.616 5.816 1.00 0.00 O ATOM 543 CB GLU A 34 6.019 -7.116 4.356 1.00 0.00 C ATOM 544 CG GLU A 34 7.027 -6.998 3.213 1.00 0.00 C ATOM 545 CD GLU A 34 6.938 -8.158 2.224 1.00 0.00 C ATOM 546 OE1 GLU A 34 7.682 -9.146 2.414 1.00 0.00 O ATOM 547 OE2 GLU A 34 6.219 -8.055 1.205 1.00 0.00 O ATOM 0 H GLU A 34 4.908 -7.627 6.766 1.00 0.00 H new ATOM 0 HA GLU A 34 6.429 -9.202 4.737 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.020 -7.204 3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.039 -6.191 4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.860 -6.061 2.683 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.035 -6.955 3.626 1.00 0.00 H new ATOM 554 N GLY A 35 7.382 -7.536 7.368 1.00 0.00 N ATOM 555 CA GLY A 35 8.437 -7.322 8.351 1.00 0.00 C ATOM 556 C GLY A 35 9.446 -6.235 7.988 1.00 0.00 C ATOM 557 O GLY A 35 10.165 -5.776 8.871 1.00 0.00 O ATOM 0 H GLY A 35 6.489 -7.151 7.676 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.977 -7.066 9.305 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.973 -8.260 8.497 1.00 0.00 H new ATOM 561 N ILE A 36 9.504 -5.790 6.734 1.00 0.00 N ATOM 562 CA ILE A 36 10.437 -4.752 6.302 1.00 0.00 C ATOM 563 C ILE A 36 10.092 -3.393 6.941 1.00 0.00 C ATOM 564 O ILE A 36 8.933 -3.183 7.315 1.00 0.00 O ATOM 565 CB ILE A 36 10.476 -4.682 4.756 1.00 0.00 C ATOM 566 CG1 ILE A 36 9.127 -4.395 4.052 1.00 0.00 C ATOM 567 CG2 ILE A 36 11.002 -6.022 4.220 1.00 0.00 C ATOM 568 CD1 ILE A 36 8.741 -2.922 3.966 1.00 0.00 C ATOM 0 H ILE A 36 8.904 -6.140 5.987 1.00 0.00 H new ATOM 0 HA ILE A 36 11.438 -5.011 6.647 1.00 0.00 H new ATOM 0 HB ILE A 36 11.119 -3.832 4.529 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.168 -4.803 3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.338 -4.931 4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.036 -5.990 3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.004 -6.201 4.609 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.340 -6.827 4.539 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.782 -2.826 3.457 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.661 -2.508 4.971 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.504 -2.378 3.409 1.00 0.00 H new ATOM 580 N PRO A 37 11.061 -2.481 7.129 1.00 0.00 N ATOM 581 CA PRO A 37 10.808 -1.155 7.694 1.00 0.00 C ATOM 582 C PRO A 37 10.069 -0.289 6.653 1.00 0.00 C ATOM 583 O PRO A 37 10.056 -0.647 5.481 1.00 0.00 O ATOM 584 CB PRO A 37 12.189 -0.548 7.993 1.00 0.00 C ATOM 585 CG PRO A 37 13.193 -1.659 7.689 1.00 0.00 C ATOM 586 CD PRO A 37 12.456 -2.604 6.753 1.00 0.00 C ATOM 0 HA PRO A 37 10.194 -1.207 8.593 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.375 0.330 7.374 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.261 -0.227 9.032 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.093 -1.261 7.221 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.506 -2.169 8.600 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.611 -2.329 5.710 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.808 -3.629 6.868 1.00 0.00 H new ATOM 594 N PRO A 38 9.536 0.897 7.000 1.00 0.00 N ATOM 595 CA PRO A 38 8.837 1.770 6.050 1.00 0.00 C ATOM 596 C PRO A 38 9.627 2.184 4.787 1.00 0.00 C ATOM 597 O PRO A 38 9.009 2.679 3.841 1.00 0.00 O ATOM 598 CB PRO A 38 8.454 3.018 6.856 1.00 0.00 C ATOM 599 CG PRO A 38 8.376 2.514 8.295 1.00 0.00 C ATOM 600 CD PRO A 38 9.462 1.442 8.346 1.00 0.00 C ATOM 0 HA PRO A 38 7.993 1.214 5.643 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.198 3.807 6.749 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.501 3.431 6.525 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.564 3.313 9.013 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.393 2.103 8.526 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.419 1.867 8.650 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.213 0.666 9.070 1.00 0.00 H new ATOM 608 N ASP A 39 10.961 2.068 4.768 1.00 0.00 N ATOM 609 CA ASP A 39 11.827 2.423 3.633 1.00 0.00 C ATOM 610 C ASP A 39 12.093 1.195 2.750 1.00 0.00 C ATOM 611 O ASP A 39 11.756 0.074 3.132 1.00 0.00 O ATOM 612 CB ASP A 39 13.121 3.035 4.172 1.00 0.00 C ATOM 613 CG ASP A 39 13.966 3.733 3.106 1.00 0.00 C ATOM 614 OD1 ASP A 39 14.807 3.066 2.470 1.00 0.00 O ATOM 615 OD2 ASP A 39 13.841 4.969 2.975 1.00 0.00 O ATOM 0 H ASP A 39 11.486 1.713 5.568 1.00 0.00 H new ATOM 0 HA ASP A 39 11.332 3.160 3.001 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.874 3.753 4.954 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.717 2.250 4.637 1.00 0.00 H new ATOM 620 N GLN A 40 12.705 1.366 1.571 1.00 0.00 N ATOM 621 CA GLN A 40 12.985 0.279 0.628 1.00 0.00 C ATOM 622 C GLN A 40 11.668 -0.380 0.180 1.00 0.00 C ATOM 623 O GLN A 40 11.621 -1.569 -0.138 1.00 0.00 O ATOM 624 CB GLN A 40 14.069 -0.675 1.162 1.00 0.00 C ATOM 625 CG GLN A 40 14.728 -1.494 0.039 1.00 0.00 C ATOM 626 CD GLN A 40 15.917 -2.321 0.518 1.00 0.00 C ATOM 627 OE1 GLN A 40 16.033 -2.651 1.694 1.00 0.00 O ATOM 628 NE2 GLN A 40 16.823 -2.676 -0.377 1.00 0.00 N ATOM 0 H GLN A 40 13.024 2.277 1.242 1.00 0.00 H new ATOM 0 HA GLN A 40 13.431 0.678 -0.283 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.832 -0.098 1.685 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.626 -1.353 1.892 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.985 -2.159 -0.401 1.00 0.00 H new ATOM 0 HG3 GLN A 40 15.058 -0.818 -0.750 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.715 -2.395 -1.352 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.630 -3.231 -0.093 1.00 0.00 H new ATOM 637 N ASN A 41 10.576 0.399 0.135 1.00 0.00 N ATOM 638 CA ASN A 41 9.259 -0.084 -0.259 1.00 0.00 C ATOM 639 C ASN A 41 8.326 1.070 -0.629 1.00 0.00 C ATOM 640 O ASN A 41 8.487 2.172 -0.093 1.00 0.00 O ATOM 641 CB ASN A 41 8.662 -0.847 0.937 1.00 0.00 C ATOM 642 CG ASN A 41 8.288 -2.256 0.540 1.00 0.00 C ATOM 643 OD1 ASN A 41 7.129 -2.545 0.264 1.00 0.00 O ATOM 644 ND2 ASN A 41 9.256 -3.147 0.473 1.00 0.00 N ATOM 0 H ASN A 41 10.591 1.390 0.375 1.00 0.00 H new ATOM 0 HA ASN A 41 9.361 -0.725 -1.134 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.383 -0.874 1.754 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.781 -0.322 1.306 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.050 -4.104 0.186 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.212 -2.880 0.708 1.00 0.00 H new ATOM 651 N ARG A 42 7.305 0.822 -1.459 1.00 0.00 N ATOM 652 CA ARG A 42 6.336 1.820 -1.910 1.00 0.00 C ATOM 653 C ARG A 42 5.060 1.176 -2.455 1.00 0.00 C ATOM 654 O ARG A 42 5.151 0.283 -3.299 1.00 0.00 O ATOM 655 CB ARG A 42 6.992 2.644 -3.027 1.00 0.00 C ATOM 656 CG ARG A 42 6.132 3.843 -3.447 1.00 0.00 C ATOM 657 CD ARG A 42 7.023 4.832 -4.204 1.00 0.00 C ATOM 658 NE ARG A 42 6.366 6.117 -4.470 1.00 0.00 N ATOM 659 CZ ARG A 42 6.084 7.073 -3.579 1.00 0.00 C ATOM 660 NH1 ARG A 42 6.389 6.920 -2.297 1.00 0.00 N ATOM 661 NH2 ARG A 42 5.503 8.182 -4.019 1.00 0.00 N ATOM 0 H ARG A 42 7.128 -0.106 -1.844 1.00 0.00 H new ATOM 0 HA ARG A 42 6.056 2.442 -1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.966 2.999 -2.690 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.167 2.005 -3.892 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.306 3.515 -4.079 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.693 4.321 -2.571 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.931 5.008 -3.627 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.328 4.385 -5.150 1.00 0.00 H new ATOM 0 HE ARG A 42 6.096 6.300 -5.436 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.845 6.064 -1.980 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.168 7.658 -1.629 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.285 8.285 -5.010 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.274 8.931 -3.366 1.00 0.00 H new ATOM 675 N LEU A 43 3.890 1.623 -1.985 1.00 0.00 N ATOM 676 CA LEU A 43 2.587 1.134 -2.442 1.00 0.00 C ATOM 677 C LEU A 43 2.259 1.826 -3.768 1.00 0.00 C ATOM 678 O LEU A 43 2.531 3.017 -3.937 1.00 0.00 O ATOM 679 CB LEU A 43 1.456 1.483 -1.443 1.00 0.00 C ATOM 680 CG LEU A 43 1.014 0.394 -0.449 1.00 0.00 C ATOM 681 CD1 LEU A 43 0.536 -0.892 -1.132 1.00 0.00 C ATOM 682 CD2 LEU A 43 2.080 0.091 0.591 1.00 0.00 C ATOM 0 H LEU A 43 3.822 2.344 -1.267 1.00 0.00 H new ATOM 0 HA LEU A 43 2.646 0.050 -2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.774 2.352 -0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.582 1.785 -2.019 1.00 0.00 H new ATOM 0 HG LEU A 43 0.153 0.815 0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.239 -1.618 -0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.316 -0.668 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.345 -1.306 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.719 -0.683 1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.986 -0.256 0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.301 0.995 1.159 1.00 0.00 H new ATOM 694 N ILE A 44 1.585 1.114 -4.668 1.00 0.00 N ATOM 695 CA ILE A 44 1.160 1.572 -5.988 1.00 0.00 C ATOM 696 C ILE A 44 -0.273 1.065 -6.218 1.00 0.00 C ATOM 697 O ILE A 44 -0.623 0.044 -5.645 1.00 0.00 O ATOM 698 CB ILE A 44 2.110 0.968 -7.058 1.00 0.00 C ATOM 699 CG1 ILE A 44 3.614 1.222 -6.834 1.00 0.00 C ATOM 700 CG2 ILE A 44 1.751 1.365 -8.500 1.00 0.00 C ATOM 701 CD1 ILE A 44 4.095 2.675 -6.928 1.00 0.00 C ATOM 0 H ILE A 44 1.306 0.150 -4.486 1.00 0.00 H new ATOM 0 HA ILE A 44 1.191 2.659 -6.057 1.00 0.00 H new ATOM 0 HB ILE A 44 1.938 -0.100 -6.922 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.879 0.840 -5.848 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.170 0.633 -7.564 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.458 0.906 -9.191 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.743 1.022 -8.732 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.797 2.449 -8.601 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.170 2.715 -6.751 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.876 3.067 -7.921 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.581 3.278 -6.179 1.00 0.00 H new ATOM 713 N PHE A 45 -1.087 1.714 -7.056 1.00 0.00 N ATOM 714 CA PHE A 45 -2.463 1.347 -7.427 1.00 0.00 C ATOM 715 C PHE A 45 -2.622 1.814 -8.873 1.00 0.00 C ATOM 716 O PHE A 45 -2.675 3.020 -9.114 1.00 0.00 O ATOM 717 CB PHE A 45 -3.511 2.045 -6.552 1.00 0.00 C ATOM 718 CG PHE A 45 -4.921 1.852 -7.079 1.00 0.00 C ATOM 719 CD1 PHE A 45 -5.709 2.970 -7.407 1.00 0.00 C ATOM 720 CD2 PHE A 45 -5.417 0.555 -7.323 1.00 0.00 C ATOM 721 CE1 PHE A 45 -7.001 2.794 -7.929 1.00 0.00 C ATOM 722 CE2 PHE A 45 -6.690 0.384 -7.898 1.00 0.00 C ATOM 723 CZ PHE A 45 -7.495 1.502 -8.168 1.00 0.00 C ATOM 0 H PHE A 45 -0.785 2.567 -7.526 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.619 0.276 -7.296 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.449 1.657 -5.535 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.287 3.111 -6.501 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.320 3.966 -7.257 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.820 -0.308 -7.068 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.616 3.655 -8.147 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.048 -0.608 -8.132 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.493 1.368 -8.559 1.00 0.00 H new ATOM 733 N ALA A 46 -2.738 0.898 -9.838 1.00 0.00 N ATOM 734 CA ALA A 46 -2.874 1.223 -11.259 1.00 0.00 C ATOM 735 C ALA A 46 -1.736 2.157 -11.684 1.00 0.00 C ATOM 736 O ALA A 46 -1.957 3.175 -12.349 1.00 0.00 O ATOM 737 CB ALA A 46 -4.254 1.830 -11.538 1.00 0.00 C ATOM 0 H ALA A 46 -2.740 -0.105 -9.651 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.799 0.312 -11.853 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.340 2.066 -12.599 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.029 1.115 -11.262 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.376 2.741 -10.952 1.00 0.00 H new ATOM 743 N GLY A 47 -0.520 1.851 -11.234 1.00 0.00 N ATOM 744 CA GLY A 47 0.673 2.632 -11.515 1.00 0.00 C ATOM 745 C GLY A 47 0.759 3.909 -10.678 1.00 0.00 C ATOM 746 O GLY A 47 1.845 4.483 -10.585 1.00 0.00 O ATOM 0 H GLY A 47 -0.338 1.034 -10.651 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.555 2.020 -11.326 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.688 2.895 -12.573 1.00 0.00 H new ATOM 750 N LYS A 48 -0.335 4.378 -10.066 1.00 0.00 N ATOM 751 CA LYS A 48 -0.338 5.577 -9.247 1.00 0.00 C ATOM 752 C LYS A 48 0.492 5.287 -8.018 1.00 0.00 C ATOM 753 O LYS A 48 0.271 4.279 -7.358 1.00 0.00 O ATOM 754 CB LYS A 48 -1.761 5.976 -8.864 1.00 0.00 C ATOM 755 CG LYS A 48 -1.761 7.376 -8.235 1.00 0.00 C ATOM 756 CD LYS A 48 -3.133 8.039 -8.320 1.00 0.00 C ATOM 757 CE LYS A 48 -3.426 8.393 -9.781 1.00 0.00 C ATOM 758 NZ LYS A 48 -4.793 8.913 -9.929 1.00 0.00 N ATOM 0 H LYS A 48 -1.247 3.926 -10.131 1.00 0.00 H new ATOM 0 HA LYS A 48 0.084 6.415 -9.801 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.401 5.965 -9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.174 5.252 -8.161 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.457 7.305 -7.191 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.024 8.001 -8.740 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.900 7.368 -7.934 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.156 8.937 -7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.710 9.137 -10.130 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.299 7.509 -10.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.970 9.146 -10.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.474 8.192 -9.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.904 9.769 -9.349 1.00 0.00 H new ATOM 772 N GLN A 49 1.449 6.155 -7.747 1.00 0.00 N ATOM 773 CA GLN A 49 2.360 6.051 -6.628 1.00 0.00 C ATOM 774 C GLN A 49 1.605 6.547 -5.403 1.00 0.00 C ATOM 775 O GLN A 49 0.951 7.591 -5.499 1.00 0.00 O ATOM 776 CB GLN A 49 3.633 6.866 -6.920 1.00 0.00 C ATOM 777 CG GLN A 49 4.187 6.695 -8.352 1.00 0.00 C ATOM 778 CD GLN A 49 3.534 7.660 -9.346 1.00 0.00 C ATOM 779 OE1 GLN A 49 3.836 8.849 -9.374 1.00 0.00 O ATOM 780 NE2 GLN A 49 2.607 7.202 -10.176 1.00 0.00 N ATOM 0 H GLN A 49 1.617 6.980 -8.322 1.00 0.00 H new ATOM 0 HA GLN A 49 2.690 5.027 -6.453 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.421 7.921 -6.749 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.406 6.577 -6.208 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.265 6.859 -8.344 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.023 5.670 -8.683 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.350 6.215 -10.159 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.151 7.837 -10.831 1.00 0.00 H new ATOM 789 N LEU A 50 1.683 5.814 -4.291 1.00 0.00 N ATOM 790 CA LEU A 50 0.996 6.133 -3.049 1.00 0.00 C ATOM 791 C LEU A 50 2.005 6.220 -1.911 1.00 0.00 C ATOM 792 O LEU A 50 2.981 5.459 -1.861 1.00 0.00 O ATOM 793 CB LEU A 50 -0.040 5.037 -2.726 1.00 0.00 C ATOM 794 CG LEU A 50 -0.964 4.616 -3.885 1.00 0.00 C ATOM 795 CD1 LEU A 50 -1.821 3.428 -3.456 1.00 0.00 C ATOM 796 CD2 LEU A 50 -1.883 5.746 -4.350 1.00 0.00 C ATOM 0 H LEU A 50 2.241 4.962 -4.233 1.00 0.00 H new ATOM 0 HA LEU A 50 0.488 7.091 -3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.493 4.154 -2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.661 5.385 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.318 4.348 -4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.473 3.134 -4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.175 2.592 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.428 3.709 -2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.511 5.391 -5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.514 6.066 -3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.281 6.587 -4.693 1.00 0.00 H new ATOM 808 N GLU A 51 1.753 7.122 -0.970 1.00 0.00 N ATOM 809 CA GLU A 51 2.588 7.351 0.194 1.00 0.00 C ATOM 810 C GLU A 51 1.733 7.910 1.325 1.00 0.00 C ATOM 811 O GLU A 51 0.531 8.135 1.156 1.00 0.00 O ATOM 812 CB GLU A 51 3.749 8.293 -0.181 1.00 0.00 C ATOM 813 CG GLU A 51 3.313 9.737 -0.479 1.00 0.00 C ATOM 814 CD GLU A 51 3.993 10.296 -1.726 1.00 0.00 C ATOM 815 OE1 GLU A 51 4.863 11.186 -1.624 1.00 0.00 O ATOM 816 OE2 GLU A 51 3.661 9.842 -2.844 1.00 0.00 O ATOM 0 H GLU A 51 0.935 7.731 -1.001 1.00 0.00 H new ATOM 0 HA GLU A 51 3.026 6.415 0.541 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.472 8.304 0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.261 7.891 -1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.232 9.769 -0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.548 10.370 0.376 1.00 0.00 H new ATOM 823 N ASP A 52 2.344 8.064 2.498 1.00 0.00 N ATOM 824 CA ASP A 52 1.674 8.612 3.667 1.00 0.00 C ATOM 825 C ASP A 52 1.312 10.084 3.453 1.00 0.00 C ATOM 826 O ASP A 52 1.677 10.702 2.452 1.00 0.00 O ATOM 827 CB ASP A 52 2.503 8.394 4.937 1.00 0.00 C ATOM 828 CG ASP A 52 3.838 9.138 4.952 1.00 0.00 C ATOM 829 OD1 ASP A 52 3.856 10.370 5.160 1.00 0.00 O ATOM 830 OD2 ASP A 52 4.891 8.494 4.749 1.00 0.00 O ATOM 0 H ASP A 52 3.319 7.811 2.661 1.00 0.00 H new ATOM 0 HA ASP A 52 0.738 8.071 3.807 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.915 8.709 5.799 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.694 7.327 5.054 1.00 0.00 H new ATOM 835 N GLY A 53 0.532 10.634 4.381 1.00 0.00 N ATOM 836 CA GLY A 53 0.092 12.019 4.354 1.00 0.00 C ATOM 837 C GLY A 53 -1.338 12.214 3.856 1.00 0.00 C ATOM 838 O GLY A 53 -1.861 13.320 4.014 1.00 0.00 O ATOM 0 H GLY A 53 0.183 10.115 5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.174 12.434 5.359 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.767 12.590 3.717 1.00 0.00 H new ATOM 842 N ARG A 54 -1.982 11.194 3.268 1.00 0.00 N ATOM 843 CA ARG A 54 -3.354 11.263 2.764 1.00 0.00 C ATOM 844 C ARG A 54 -4.123 9.972 3.060 1.00 0.00 C ATOM 845 O ARG A 54 -3.554 9.039 3.635 1.00 0.00 O ATOM 846 CB ARG A 54 -3.396 11.597 1.267 1.00 0.00 C ATOM 847 CG ARG A 54 -2.116 12.165 0.628 1.00 0.00 C ATOM 848 CD ARG A 54 -2.553 12.851 -0.656 1.00 0.00 C ATOM 849 NE ARG A 54 -1.585 12.729 -1.752 1.00 0.00 N ATOM 850 CZ ARG A 54 -1.944 12.806 -3.038 1.00 0.00 C ATOM 851 NH1 ARG A 54 -3.151 13.259 -3.377 1.00 0.00 N ATOM 852 NH2 ARG A 54 -1.101 12.422 -3.986 1.00 0.00 N ATOM 0 H ARG A 54 -1.550 10.280 3.129 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.848 12.077 3.294 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.667 10.689 0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.200 12.315 1.105 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.626 12.870 1.299 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.399 11.371 0.421 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.506 12.429 -0.976 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.725 13.908 -0.452 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.602 12.580 -1.525 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.808 13.550 -2.653 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.417 13.315 -4.360 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.178 12.068 -3.735 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.375 12.481 -4.967 1.00 0.00 H new ATOM 866 N THR A 55 -5.387 9.898 2.632 1.00 0.00 N ATOM 867 CA THR A 55 -6.273 8.751 2.836 1.00 0.00 C ATOM 868 C THR A 55 -6.642 8.018 1.555 1.00 0.00 C ATOM 869 O THR A 55 -6.344 8.454 0.441 1.00 0.00 O ATOM 870 CB THR A 55 -7.571 9.212 3.524 1.00 0.00 C ATOM 871 OG1 THR A 55 -8.260 10.146 2.708 1.00 0.00 O ATOM 872 CG2 THR A 55 -7.322 9.782 4.913 1.00 0.00 C ATOM 0 H THR A 55 -5.834 10.658 2.119 1.00 0.00 H new ATOM 0 HA THR A 55 -5.714 8.052 3.458 1.00 0.00 H new ATOM 0 HB THR A 55 -8.198 8.330 3.655 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.709 10.948 2.591 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.269 10.092 5.354 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.861 9.020 5.542 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.657 10.643 4.839 1.00 0.00 H new ATOM 880 N LEU A 56 -7.318 6.884 1.738 1.00 0.00 N ATOM 881 CA LEU A 56 -7.813 6.041 0.664 1.00 0.00 C ATOM 882 C LEU A 56 -8.821 6.836 -0.172 1.00 0.00 C ATOM 883 O LEU A 56 -8.861 6.680 -1.396 1.00 0.00 O ATOM 884 CB LEU A 56 -8.465 4.799 1.298 1.00 0.00 C ATOM 885 CG LEU A 56 -7.528 3.580 1.220 1.00 0.00 C ATOM 886 CD1 LEU A 56 -7.400 2.861 2.559 1.00 0.00 C ATOM 887 CD2 LEU A 56 -8.079 2.610 0.178 1.00 0.00 C ATOM 0 H LEU A 56 -7.540 6.521 2.665 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.006 5.722 0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.712 5.006 2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.401 4.575 0.787 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.534 3.933 0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.729 2.009 2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.998 3.548 3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.381 2.512 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.426 1.740 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.079 2.291 0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.125 3.105 -0.792 1.00 0.00 H new ATOM 899 N SER A 57 -9.612 7.695 0.482 1.00 0.00 N ATOM 900 CA SER A 57 -10.600 8.526 -0.188 1.00 0.00 C ATOM 901 C SER A 57 -9.881 9.592 -1.023 1.00 0.00 C ATOM 902 O SER A 57 -10.276 9.822 -2.166 1.00 0.00 O ATOM 903 CB SER A 57 -11.554 9.148 0.846 1.00 0.00 C ATOM 904 OG SER A 57 -12.813 9.442 0.266 1.00 0.00 O ATOM 0 H SER A 57 -9.579 7.828 1.493 1.00 0.00 H new ATOM 0 HA SER A 57 -11.205 7.920 -0.862 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.687 8.462 1.682 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.114 10.060 1.249 1.00 0.00 H new ATOM 0 HG SER A 57 -13.402 9.835 0.944 1.00 0.00 H new ATOM 910 N ASP A 58 -8.808 10.207 -0.506 1.00 0.00 N ATOM 911 CA ASP A 58 -8.046 11.245 -1.213 1.00 0.00 C ATOM 912 C ASP A 58 -7.460 10.701 -2.509 1.00 0.00 C ATOM 913 O ASP A 58 -7.526 11.364 -3.543 1.00 0.00 O ATOM 914 CB ASP A 58 -6.883 11.811 -0.383 1.00 0.00 C ATOM 915 CG ASP A 58 -7.327 12.666 0.795 1.00 0.00 C ATOM 916 OD1 ASP A 58 -6.881 12.382 1.932 1.00 0.00 O ATOM 917 OD2 ASP A 58 -8.087 13.640 0.591 1.00 0.00 O ATOM 0 H ASP A 58 -8.442 9.996 0.422 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.761 12.044 -1.409 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.278 10.984 -0.012 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.243 12.408 -1.032 1.00 0.00 H new ATOM 922 N TYR A 59 -6.884 9.496 -2.485 1.00 0.00 N ATOM 923 CA TYR A 59 -6.305 8.905 -3.688 1.00 0.00 C ATOM 924 C TYR A 59 -7.378 8.289 -4.603 1.00 0.00 C ATOM 925 O TYR A 59 -7.053 7.812 -5.697 1.00 0.00 O ATOM 926 CB TYR A 59 -5.258 7.859 -3.295 1.00 0.00 C ATOM 927 CG TYR A 59 -3.917 8.424 -2.878 1.00 0.00 C ATOM 928 CD1 TYR A 59 -3.002 8.834 -3.867 1.00 0.00 C ATOM 929 CD2 TYR A 59 -3.546 8.457 -1.521 1.00 0.00 C ATOM 930 CE1 TYR A 59 -1.698 9.213 -3.510 1.00 0.00 C ATOM 931 CE2 TYR A 59 -2.253 8.863 -1.155 1.00 0.00 C ATOM 932 CZ TYR A 59 -1.319 9.211 -2.150 1.00 0.00 C ATOM 933 OH TYR A 59 -0.048 9.509 -1.789 1.00 0.00 O ATOM 0 H TYR A 59 -6.808 8.916 -1.650 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.824 9.700 -4.258 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.654 7.260 -2.475 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.105 7.185 -4.138 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.304 8.857 -4.904 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.257 8.170 -0.760 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.989 9.504 -4.271 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.975 8.908 -0.112 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.011 9.669 -0.823 1.00 0.00 H new ATOM 943 N ASN A 60 -8.650 8.314 -4.185 1.00 0.00 N ATOM 944 CA ASN A 60 -9.813 7.770 -4.875 1.00 0.00 C ATOM 945 C ASN A 60 -9.518 6.353 -5.377 1.00 0.00 C ATOM 946 O ASN A 60 -9.450 6.072 -6.578 1.00 0.00 O ATOM 947 CB ASN A 60 -10.337 8.714 -5.965 1.00 0.00 C ATOM 948 CG ASN A 60 -11.585 8.119 -6.547 1.00 0.00 C ATOM 949 OD1 ASN A 60 -12.486 7.676 -5.844 1.00 0.00 O ATOM 950 ND2 ASN A 60 -11.580 7.935 -7.846 1.00 0.00 N ATOM 0 H ASN A 60 -8.904 8.745 -3.296 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.633 7.690 -4.161 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.546 9.698 -5.546 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.585 8.851 -6.742 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.336 7.414 -8.290 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.820 8.313 -8.412 1.00 0.00 H new ATOM 957 N ILE A 61 -9.309 5.455 -4.424 1.00 0.00 N ATOM 958 CA ILE A 61 -8.992 4.048 -4.624 1.00 0.00 C ATOM 959 C ILE A 61 -10.233 3.260 -4.223 1.00 0.00 C ATOM 960 O ILE A 61 -10.605 3.248 -3.047 1.00 0.00 O ATOM 961 CB ILE A 61 -7.752 3.648 -3.787 1.00 0.00 C ATOM 962 CG1 ILE A 61 -6.522 4.523 -4.104 1.00 0.00 C ATOM 963 CG2 ILE A 61 -7.425 2.154 -3.976 1.00 0.00 C ATOM 964 CD1 ILE A 61 -5.331 4.264 -3.176 1.00 0.00 C ATOM 0 H ILE A 61 -9.359 5.703 -3.436 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.737 3.837 -5.663 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.004 3.821 -2.741 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.215 4.344 -5.134 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.805 5.573 -4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.551 1.895 -3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.275 1.552 -3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.218 1.957 -5.028 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.502 4.914 -3.457 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.621 4.471 -2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.021 3.223 -3.264 1.00 0.00 H new ATOM 976 N GLN A 62 -10.898 2.628 -5.188 1.00 0.00 N ATOM 977 CA GLN A 62 -12.088 1.836 -4.908 1.00 0.00 C ATOM 978 C GLN A 62 -11.654 0.519 -4.249 1.00 0.00 C ATOM 979 O GLN A 62 -10.486 0.124 -4.331 1.00 0.00 O ATOM 980 CB GLN A 62 -12.896 1.584 -6.193 1.00 0.00 C ATOM 981 CG GLN A 62 -13.517 2.848 -6.818 1.00 0.00 C ATOM 982 CD GLN A 62 -12.478 3.716 -7.526 1.00 0.00 C ATOM 983 OE1 GLN A 62 -11.998 3.377 -8.605 1.00 0.00 O ATOM 984 NE2 GLN A 62 -12.045 4.804 -6.917 1.00 0.00 N ATOM 0 H GLN A 62 -10.630 2.651 -6.172 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.742 2.380 -4.227 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -12.245 1.113 -6.929 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.693 0.874 -5.972 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -14.289 2.557 -7.530 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.006 3.433 -6.039 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.447 5.081 -6.021 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.309 5.368 -7.342 1.00 0.00 H new ATOM 993 N LYS A 63 -12.587 -0.142 -3.563 1.00 0.00 N ATOM 994 CA LYS A 63 -12.354 -1.416 -2.884 1.00 0.00 C ATOM 995 C LYS A 63 -11.920 -2.491 -3.883 1.00 0.00 C ATOM 996 O LYS A 63 -12.106 -2.332 -5.088 1.00 0.00 O ATOM 997 CB LYS A 63 -13.621 -1.828 -2.112 1.00 0.00 C ATOM 998 CG LYS A 63 -14.834 -2.038 -3.036 1.00 0.00 C ATOM 999 CD LYS A 63 -16.096 -2.365 -2.239 1.00 0.00 C ATOM 1000 CE LYS A 63 -17.286 -2.488 -3.198 1.00 0.00 C ATOM 1001 NZ LYS A 63 -18.536 -2.758 -2.466 1.00 0.00 N ATOM 0 H LYS A 63 -13.543 0.200 -3.462 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.541 -1.301 -2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.424 -2.748 -1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.859 -1.061 -1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.000 -1.139 -3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.624 -2.847 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.961 -3.296 -1.688 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.287 -1.584 -1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.390 -1.568 -3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.099 -3.290 -3.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.324 -2.836 -3.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.443 -3.649 -1.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.725 -1.980 -1.802 1.00 0.00 H new ATOM 1015 N GLU A 64 -11.385 -3.602 -3.375 1.00 0.00 N ATOM 1016 CA GLU A 64 -10.900 -4.745 -4.151 1.00 0.00 C ATOM 1017 C GLU A 64 -9.995 -4.322 -5.317 1.00 0.00 C ATOM 1018 O GLU A 64 -10.100 -4.818 -6.445 1.00 0.00 O ATOM 1019 CB GLU A 64 -12.058 -5.681 -4.530 1.00 0.00 C ATOM 1020 CG GLU A 64 -12.537 -6.443 -3.288 1.00 0.00 C ATOM 1021 CD GLU A 64 -13.567 -7.507 -3.649 1.00 0.00 C ATOM 1022 OE1 GLU A 64 -14.705 -7.438 -3.124 1.00 0.00 O ATOM 1023 OE2 GLU A 64 -13.242 -8.438 -4.412 1.00 0.00 O ATOM 0 H GLU A 64 -11.273 -3.736 -2.370 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.241 -5.339 -3.518 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.880 -5.104 -4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.733 -6.384 -5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.685 -6.912 -2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.971 -5.742 -2.575 1.00 0.00 H new ATOM 1030 N SER A 65 -9.138 -3.343 -5.031 1.00 0.00 N ATOM 1031 CA SER A 65 -8.151 -2.782 -5.934 1.00 0.00 C ATOM 1032 C SER A 65 -6.963 -3.762 -5.990 1.00 0.00 C ATOM 1033 O SER A 65 -6.919 -4.714 -5.203 1.00 0.00 O ATOM 1034 CB SER A 65 -7.802 -1.359 -5.465 1.00 0.00 C ATOM 1035 OG SER A 65 -8.152 -1.106 -4.117 1.00 0.00 O ATOM 0 H SER A 65 -9.118 -2.901 -4.112 1.00 0.00 H new ATOM 0 HA SER A 65 -8.515 -2.670 -6.955 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.732 -1.196 -5.591 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.311 -0.639 -6.105 1.00 0.00 H new ATOM 0 HG SER A 65 -9.093 -0.838 -4.068 1.00 0.00 H new ATOM 1041 N THR A 66 -5.997 -3.555 -6.895 1.00 0.00 N ATOM 1042 CA THR A 66 -4.860 -4.458 -7.029 1.00 0.00 C ATOM 1043 C THR A 66 -3.647 -3.565 -6.980 1.00 0.00 C ATOM 1044 O THR A 66 -3.210 -3.002 -7.990 1.00 0.00 O ATOM 1045 CB THR A 66 -4.978 -5.318 -8.299 1.00 0.00 C ATOM 1046 OG1 THR A 66 -6.218 -5.990 -8.300 1.00 0.00 O ATOM 1047 CG2 THR A 66 -3.875 -6.378 -8.387 1.00 0.00 C ATOM 0 H THR A 66 -5.986 -2.767 -7.543 1.00 0.00 H new ATOM 0 HA THR A 66 -4.801 -5.200 -6.232 1.00 0.00 H new ATOM 0 HB THR A 66 -4.886 -4.643 -9.150 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.293 -6.536 -9.110 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.001 -6.959 -9.300 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.901 -5.889 -8.400 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.937 -7.041 -7.524 1.00 0.00 H new ATOM 1055 N LEU A 67 -3.213 -3.327 -5.753 1.00 0.00 N ATOM 1056 CA LEU A 67 -2.080 -2.497 -5.453 1.00 0.00 C ATOM 1057 C LEU A 67 -0.829 -3.322 -5.690 1.00 0.00 C ATOM 1058 O LEU A 67 -0.865 -4.550 -5.617 1.00 0.00 O ATOM 1059 CB LEU A 67 -2.150 -1.992 -4.002 1.00 0.00 C ATOM 1060 CG LEU A 67 -3.250 -0.934 -3.785 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -4.646 -1.549 -3.657 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -2.974 -0.100 -2.534 1.00 0.00 C ATOM 0 H LEU A 67 -3.657 -3.721 -4.923 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.069 -1.616 -6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.330 -2.837 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.185 -1.568 -3.724 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.229 -0.302 -4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.380 -0.757 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.887 -2.098 -4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.667 -2.230 -2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.766 0.638 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.942 -0.753 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.017 0.410 -2.641 1.00 0.00 H new ATOM 1074 N HIS A 68 0.277 -2.663 -5.994 1.00 0.00 N ATOM 1075 CA HIS A 68 1.564 -3.289 -6.248 1.00 0.00 C ATOM 1076 C HIS A 68 2.577 -2.716 -5.268 1.00 0.00 C ATOM 1077 O HIS A 68 2.383 -1.627 -4.720 1.00 0.00 O ATOM 1078 CB HIS A 68 1.983 -3.057 -7.715 1.00 0.00 C ATOM 1079 CG HIS A 68 1.504 -4.124 -8.679 1.00 0.00 C ATOM 1080 ND1 HIS A 68 2.214 -4.595 -9.763 1.00 0.00 N ATOM 1081 CD2 HIS A 68 0.318 -4.808 -8.631 1.00 0.00 C ATOM 1082 CE1 HIS A 68 1.479 -5.580 -10.318 1.00 0.00 C ATOM 1083 NE2 HIS A 68 0.310 -5.732 -9.673 1.00 0.00 N ATOM 0 H HIS A 68 0.305 -1.646 -6.073 1.00 0.00 H new ATOM 0 HA HIS A 68 1.506 -4.367 -6.100 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.599 -2.091 -8.041 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.070 -3.001 -7.765 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.473 -4.657 -7.911 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.789 -6.169 -11.169 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.434 -6.392 -9.901 1.00 0.00 H new ATOM 1090 N LEU A 69 3.662 -3.455 -5.063 1.00 0.00 N ATOM 1091 CA LEU A 69 4.763 -3.091 -4.192 1.00 0.00 C ATOM 1092 C LEU A 69 6.013 -3.088 -5.045 1.00 0.00 C ATOM 1093 O LEU A 69 6.276 -4.033 -5.789 1.00 0.00 O ATOM 1094 CB LEU A 69 4.925 -4.062 -3.015 1.00 0.00 C ATOM 1095 CG LEU A 69 3.793 -3.956 -1.987 1.00 0.00 C ATOM 1096 CD1 LEU A 69 3.872 -5.115 -0.992 1.00 0.00 C ATOM 1097 CD2 LEU A 69 3.845 -2.649 -1.191 1.00 0.00 C ATOM 0 H LEU A 69 3.799 -4.357 -5.518 1.00 0.00 H new ATOM 0 HA LEU A 69 4.572 -2.113 -3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.967 -5.082 -3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.876 -3.868 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 69 2.861 -3.986 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.063 -5.028 -0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.780 -6.060 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.829 -5.084 -0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.022 -2.625 -0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.792 -2.587 -0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.759 -1.804 -1.874 1.00 0.00 H new ATOM 1109 N VAL A 70 6.714 -1.972 -4.990 1.00 0.00 N ATOM 1110 CA VAL A 70 7.962 -1.671 -5.666 1.00 0.00 C ATOM 1111 C VAL A 70 8.788 -0.912 -4.623 1.00 0.00 C ATOM 1112 O VAL A 70 8.317 -0.696 -3.502 1.00 0.00 O ATOM 1113 CB VAL A 70 7.721 -0.893 -6.979 1.00 0.00 C ATOM 1114 CG1 VAL A 70 6.984 -1.743 -8.025 1.00 0.00 C ATOM 1115 CG2 VAL A 70 6.927 0.394 -6.751 1.00 0.00 C ATOM 0 H VAL A 70 6.398 -1.185 -4.423 1.00 0.00 H new ATOM 0 HA VAL A 70 8.497 -2.560 -6.000 1.00 0.00 H new ATOM 0 HB VAL A 70 8.713 -0.640 -7.353 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.836 -1.156 -8.932 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.577 -2.628 -8.258 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.016 -2.049 -7.629 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.783 0.906 -7.702 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.956 0.151 -6.319 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.475 1.044 -6.069 1.00 0.00 H new ATOM 1125 N LEU A 71 10.002 -0.471 -4.949 1.00 0.00 N ATOM 1126 CA LEU A 71 10.817 0.244 -3.977 1.00 0.00 C ATOM 1127 C LEU A 71 11.525 1.448 -4.565 1.00 0.00 C ATOM 1128 O LEU A 71 11.470 1.736 -5.762 1.00 0.00 O ATOM 1129 CB LEU A 71 11.808 -0.746 -3.321 1.00 0.00 C ATOM 1130 CG LEU A 71 12.926 -1.320 -4.222 1.00 0.00 C ATOM 1131 CD1 LEU A 71 14.095 -0.348 -4.455 1.00 0.00 C ATOM 1132 CD2 LEU A 71 13.492 -2.582 -3.564 1.00 0.00 C ATOM 0 H LEU A 71 10.435 -0.595 -5.864 1.00 0.00 H new ATOM 0 HA LEU A 71 10.154 0.651 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.278 -0.244 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.235 -1.581 -2.918 1.00 0.00 H new ATOM 0 HG LEU A 71 12.468 -1.522 -5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.839 -0.821 -5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.725 0.558 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.550 -0.091 -3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.282 -2.996 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 71 13.900 -2.330 -2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.698 -3.319 -3.447 1.00 0.00 H new