USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 630 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 -50:sc= 0.0567 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.01 K(o=1.1,f=-5!) USER MOD Set 2.1: A 7 THR OG1 : rot -86:sc= 0.212 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= -0.629 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 0.575 (180deg=0.367) USER MOD Single : A 2 GLN : amide:sc= 0.00508 K(o=0.0051,f=-1.1) 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 USER MOD Single : A 14 THR OG1 : rot -73:sc= 0.951 USER MOD Single : A 20 SER OG : rot 180:sc= 0.105 USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= 2.38 (180deg=0.336) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.89! K(o=-2.9!,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -11.1! C(o=-11!,f=-18!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.57) USER MOD Single : A 55 THR OG1 : rot 180:sc= -3.05! USER MOD Single : A 57 SER OG : rot 180:sc=-0.00166 USER MOD Single : A 59 TYR OH : rot 60:sc= 0.975 USER MOD Single : A 60 ASN : amide:sc= -5.94! C(o=-5.9!,f=-9.3!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -170:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.641 K(o=-0.64,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.072 -20.093 -2.496 1.00 0.00 N ATOM 2 CA MET A 1 3.736 -19.398 -3.629 1.00 0.00 C ATOM 3 C MET A 1 4.355 -18.079 -3.181 1.00 0.00 C ATOM 4 O MET A 1 3.909 -17.472 -2.208 1.00 0.00 O ATOM 5 CB MET A 1 2.698 -19.148 -4.724 1.00 0.00 C ATOM 6 CG MET A 1 1.646 -18.121 -4.340 1.00 0.00 C ATOM 7 SD MET A 1 0.428 -17.852 -5.643 1.00 0.00 S ATOM 8 CE MET A 1 -0.877 -17.040 -4.725 1.00 0.00 C ATOM 0 H1 MET A 1 2.478 -20.864 -2.862 1.00 0.00 H new ATOM 0 H2 MET A 1 3.794 -20.485 -1.858 1.00 0.00 H new ATOM 0 H3 MET A 1 2.479 -19.417 -1.974 1.00 0.00 H new ATOM 0 HA MET A 1 4.541 -20.026 -4.010 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.208 -18.813 -5.627 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.204 -20.089 -4.967 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.137 -18.450 -3.434 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.135 -17.176 -4.105 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.704 -16.809 -5.396 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.227 -17.699 -3.931 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.495 -16.117 -4.289 1.00 0.00 H new ATOM 20 N GLN A 2 5.387 -17.641 -3.896 1.00 0.00 N ATOM 21 CA GLN A 2 6.067 -16.394 -3.570 1.00 0.00 C ATOM 22 C GLN A 2 5.446 -15.222 -4.324 1.00 0.00 C ATOM 23 O GLN A 2 4.788 -15.409 -5.348 1.00 0.00 O ATOM 24 CB GLN A 2 7.557 -16.498 -3.903 1.00 0.00 C ATOM 25 CG GLN A 2 8.457 -16.474 -2.679 1.00 0.00 C ATOM 26 CD GLN A 2 9.855 -16.983 -2.971 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.187 -17.294 -4.115 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.681 -17.071 -1.936 1.00 0.00 N ATOM 0 H GLN A 2 5.770 -18.132 -4.704 1.00 0.00 H new ATOM 0 HA GLN A 2 5.953 -16.216 -2.501 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.734 -17.421 -4.456 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.832 -15.674 -4.562 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.518 -15.455 -2.298 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.010 -17.082 -1.892 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.363 -16.802 -1.005 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.634 -17.408 -2.071 1.00 0.00 H new ATOM 37 N LEU A 3 5.660 -14.015 -3.812 1.00 0.00 N ATOM 38 CA LEU A 3 5.121 -12.813 -4.437 1.00 0.00 C ATOM 39 C LEU A 3 6.103 -11.652 -4.317 1.00 0.00 C ATOM 40 O LEU A 3 6.694 -11.432 -3.260 1.00 0.00 O ATOM 41 CB LEU A 3 3.784 -12.435 -3.797 1.00 0.00 C ATOM 42 CG LEU A 3 2.912 -13.617 -3.373 1.00 0.00 C ATOM 43 CD1 LEU A 3 1.733 -13.139 -2.542 1.00 0.00 C ATOM 44 CD2 LEU A 3 2.428 -14.387 -4.594 1.00 0.00 C ATOM 0 H LEU A 3 6.203 -13.843 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 3 4.962 -13.023 -5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.980 -11.815 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.222 -11.823 -4.502 1.00 0.00 H new ATOM 0 HG LEU A 3 3.515 -14.287 -2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.124 -13.994 -2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.099 -12.632 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.130 -12.448 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.809 -15.225 -4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.842 -13.726 -5.232 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.286 -14.762 -5.151 1.00 0.00 H new ATOM 56 N PHE A 4 6.271 -10.911 -5.408 1.00 0.00 N ATOM 57 CA PHE A 4 7.182 -9.772 -5.426 1.00 0.00 C ATOM 58 C PHE A 4 6.412 -8.457 -5.364 1.00 0.00 C ATOM 59 O PHE A 4 5.484 -8.232 -6.140 1.00 0.00 O ATOM 60 CB PHE A 4 8.053 -9.809 -6.682 1.00 0.00 C ATOM 61 CG PHE A 4 9.075 -10.909 -6.670 1.00 0.00 C ATOM 62 CD1 PHE A 4 10.187 -10.833 -5.839 1.00 0.00 C ATOM 63 CD2 PHE A 4 8.925 -12.022 -7.489 1.00 0.00 C ATOM 64 CE1 PHE A 4 11.131 -11.848 -5.826 1.00 0.00 C ATOM 65 CE2 PHE A 4 9.866 -13.040 -7.481 1.00 0.00 C ATOM 66 CZ PHE A 4 10.970 -12.952 -6.648 1.00 0.00 C ATOM 0 H PHE A 4 5.788 -11.079 -6.291 1.00 0.00 H new ATOM 0 HA PHE A 4 7.823 -9.837 -4.547 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.412 -9.929 -7.556 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.563 -8.851 -6.789 1.00 0.00 H new ATOM 0 HD1 PHE A 4 10.317 -9.974 -5.197 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.066 -12.095 -8.139 1.00 0.00 H new ATOM 0 HE1 PHE A 4 11.991 -11.779 -5.176 1.00 0.00 H new ATOM 0 HE2 PHE A 4 9.739 -13.900 -8.122 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.705 -13.744 -6.639 1.00 0.00 H new ATOM 76 N VAL A 5 6.804 -7.591 -4.435 1.00 0.00 N ATOM 77 CA VAL A 5 6.151 -6.298 -4.271 1.00 0.00 C ATOM 78 C VAL A 5 7.134 -5.154 -4.487 1.00 0.00 C ATOM 79 O VAL A 5 8.010 -4.909 -3.657 1.00 0.00 O ATOM 80 CB VAL A 5 5.521 -6.160 -2.873 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.952 -4.763 -2.679 1.00 0.00 C ATOM 82 CG2 VAL A 5 4.445 -7.215 -2.667 1.00 0.00 C ATOM 0 H VAL A 5 7.571 -7.762 -3.784 1.00 0.00 H new ATOM 0 HA VAL A 5 5.364 -6.244 -5.023 1.00 0.00 H new ATOM 0 HB VAL A 5 6.299 -6.317 -2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.511 -4.685 -1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.750 -4.028 -2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.186 -4.574 -3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.011 -7.103 -1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.666 -7.092 -3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.886 -8.207 -2.760 1.00 0.00 H new ATOM 92 N LYS A 6 6.984 -4.455 -5.608 1.00 0.00 N ATOM 93 CA LYS A 6 7.860 -3.335 -5.933 1.00 0.00 C ATOM 94 C LYS A 6 7.197 -2.007 -5.579 1.00 0.00 C ATOM 95 O LYS A 6 5.998 -1.825 -5.792 1.00 0.00 O ATOM 96 CB LYS A 6 8.223 -3.356 -7.419 1.00 0.00 C ATOM 97 CG LYS A 6 7.073 -2.961 -8.332 1.00 0.00 C ATOM 98 CD LYS A 6 7.269 -3.497 -9.740 1.00 0.00 C ATOM 99 CE LYS A 6 8.398 -2.774 -10.458 1.00 0.00 C ATOM 100 NZ LYS A 6 8.696 -3.387 -11.782 1.00 0.00 N ATOM 0 H LYS A 6 6.265 -4.644 -6.306 1.00 0.00 H new ATOM 0 HA LYS A 6 8.771 -3.436 -5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.060 -2.679 -7.590 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.562 -4.357 -7.688 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.136 -3.341 -7.924 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.989 -1.875 -8.364 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.488 -4.564 -9.697 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.344 -3.383 -10.306 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.129 -1.727 -10.595 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.294 -2.795 -9.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.471 -2.866 -12.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.977 -4.379 -11.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.848 -3.345 -12.383 1.00 0.00 H new ATOM 114 N THR A 7 7.984 -1.084 -5.039 1.00 0.00 N ATOM 115 CA THR A 7 7.473 0.227 -4.657 1.00 0.00 C ATOM 116 C THR A 7 7.734 1.252 -5.756 1.00 0.00 C ATOM 117 O THR A 7 8.045 0.895 -6.891 1.00 0.00 O ATOM 118 CB THR A 7 8.118 0.687 -3.349 1.00 0.00 C ATOM 119 OG1 THR A 7 9.323 1.385 -3.602 1.00 0.00 O ATOM 120 CG2 THR A 7 8.436 -0.453 -2.406 1.00 0.00 C ATOM 0 H THR A 7 8.978 -1.219 -4.856 1.00 0.00 H new ATOM 0 HA THR A 7 6.396 0.143 -4.512 1.00 0.00 H new ATOM 0 HB THR A 7 7.380 1.334 -2.875 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.062 0.745 -3.679 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.891 -0.058 -1.498 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.517 -0.981 -2.151 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.129 -1.142 -2.889 1.00 0.00 H new ATOM 128 N LEU A 8 7.605 2.530 -5.409 1.00 0.00 N ATOM 129 CA LEU A 8 7.829 3.607 -6.366 1.00 0.00 C ATOM 130 C LEU A 8 9.319 3.825 -6.610 1.00 0.00 C ATOM 131 O LEU A 8 9.706 4.652 -7.435 1.00 0.00 O ATOM 132 CB LEU A 8 7.187 4.903 -5.865 1.00 0.00 C ATOM 133 CG LEU A 8 6.070 5.457 -6.750 1.00 0.00 C ATOM 134 CD1 LEU A 8 6.568 5.659 -8.173 1.00 0.00 C ATOM 135 CD2 LEU A 8 4.865 4.529 -6.731 1.00 0.00 C ATOM 0 H LEU A 8 7.347 2.844 -4.473 1.00 0.00 H new ATOM 0 HA LEU A 8 7.366 3.319 -7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.786 4.729 -4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.964 5.662 -5.769 1.00 0.00 H new ATOM 0 HG LEU A 8 5.764 6.425 -6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.760 6.054 -8.789 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.400 6.363 -8.171 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.902 4.705 -8.581 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.080 4.939 -7.366 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.156 3.547 -7.103 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.494 4.435 -5.710 1.00 0.00 H new ATOM 147 N THR A 9 10.152 3.081 -5.888 1.00 0.00 N ATOM 148 CA THR A 9 11.598 3.196 -6.030 1.00 0.00 C ATOM 149 C THR A 9 12.160 2.041 -6.853 1.00 0.00 C ATOM 150 O THR A 9 12.771 2.252 -7.900 1.00 0.00 O ATOM 151 CB THR A 9 12.266 3.229 -4.655 1.00 0.00 C ATOM 152 OG1 THR A 9 12.487 1.915 -4.173 1.00 0.00 O ATOM 153 CG2 THR A 9 11.456 3.970 -3.614 1.00 0.00 C ATOM 0 H THR A 9 9.849 2.392 -5.199 1.00 0.00 H new ATOM 0 HA THR A 9 11.812 4.128 -6.553 1.00 0.00 H new ATOM 0 HB THR A 9 13.207 3.758 -4.804 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.916 1.957 -3.293 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.987 3.956 -2.662 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.311 5.002 -3.933 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.486 3.487 -3.496 1.00 0.00 H new ATOM 161 N GLY A 10 11.948 0.821 -6.371 1.00 0.00 N ATOM 162 CA GLY A 10 12.439 -0.349 -7.073 1.00 0.00 C ATOM 163 C GLY A 10 12.539 -1.566 -6.177 1.00 0.00 C ATOM 164 O GLY A 10 12.250 -2.685 -6.603 1.00 0.00 O ATOM 0 H GLY A 10 11.445 0.622 -5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.776 -0.571 -7.909 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.420 -0.130 -7.494 1.00 0.00 H new ATOM 168 N LYS A 11 12.949 -1.351 -4.930 1.00 0.00 N ATOM 169 CA LYS A 11 13.085 -2.442 -3.972 1.00 0.00 C ATOM 170 C LYS A 11 11.930 -3.429 -4.105 1.00 0.00 C ATOM 171 O LYS A 11 10.763 -3.050 -4.011 1.00 0.00 O ATOM 172 CB LYS A 11 13.141 -1.892 -2.545 1.00 0.00 C ATOM 173 CG LYS A 11 14.489 -2.087 -1.872 1.00 0.00 C ATOM 174 CD LYS A 11 14.334 -2.601 -0.449 1.00 0.00 C ATOM 175 CE LYS A 11 13.488 -1.659 0.394 1.00 0.00 C ATOM 176 NZ LYS A 11 14.328 -0.759 1.234 1.00 0.00 N ATOM 0 H LYS A 11 13.192 -0.432 -4.560 1.00 0.00 H new ATOM 0 HA LYS A 11 14.015 -2.968 -4.187 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.904 -0.828 -2.565 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.371 -2.379 -1.946 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.087 -2.791 -2.451 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.031 -1.142 -1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.874 -3.589 -0.466 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.317 -2.715 0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.853 -1.059 -0.258 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.826 -2.241 1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.714 -0.133 1.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.915 -1.330 1.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.942 -0.185 0.621 1.00 0.00 H new ATOM 190 N THR A 12 12.264 -4.697 -4.326 1.00 0.00 N ATOM 191 CA THR A 12 11.254 -5.738 -4.474 1.00 0.00 C ATOM 192 C THR A 12 11.233 -6.656 -3.257 1.00 0.00 C ATOM 193 O THR A 12 12.204 -7.361 -2.982 1.00 0.00 O ATOM 194 CB THR A 12 11.517 -6.555 -5.739 1.00 0.00 C ATOM 195 OG1 THR A 12 12.096 -5.748 -6.747 1.00 0.00 O ATOM 196 CG2 THR A 12 10.268 -7.184 -6.316 1.00 0.00 C ATOM 0 H THR A 12 13.226 -5.028 -4.406 1.00 0.00 H new ATOM 0 HA THR A 12 10.281 -5.255 -4.557 1.00 0.00 H new ATOM 0 HB THR A 12 12.196 -7.350 -5.432 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.258 -6.290 -7.547 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.526 -7.749 -7.212 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.824 -7.854 -5.579 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.553 -6.403 -6.573 1.00 0.00 H new ATOM 204 N LEU A 13 10.120 -6.642 -2.530 1.00 0.00 N ATOM 205 CA LEU A 13 9.972 -7.476 -1.342 1.00 0.00 C ATOM 206 C LEU A 13 9.380 -8.834 -1.704 1.00 0.00 C ATOM 207 O LEU A 13 8.413 -8.918 -2.461 1.00 0.00 O ATOM 208 CB LEU A 13 9.084 -6.778 -0.310 1.00 0.00 C ATOM 209 CG LEU A 13 9.832 -5.919 0.712 1.00 0.00 C ATOM 210 CD1 LEU A 13 9.068 -4.632 0.985 1.00 0.00 C ATOM 211 CD2 LEU A 13 10.051 -6.695 2.001 1.00 0.00 C ATOM 0 H LEU A 13 9.308 -6.063 -2.742 1.00 0.00 H new ATOM 0 HA LEU A 13 10.961 -7.633 -0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.367 -6.148 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.510 -7.535 0.225 1.00 0.00 H new ATOM 0 HG LEU A 13 10.806 -5.659 0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.614 -4.033 1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.962 -4.068 0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.080 -4.872 1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.584 -6.069 2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.087 -6.984 2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.639 -7.589 1.792 1.00 0.00 H new ATOM 223 N THR A 14 9.965 -9.895 -1.159 1.00 0.00 N ATOM 224 CA THR A 14 9.493 -11.249 -1.427 1.00 0.00 C ATOM 225 C THR A 14 8.776 -11.826 -0.211 1.00 0.00 C ATOM 226 O THR A 14 9.339 -11.891 0.882 1.00 0.00 O ATOM 227 CB THR A 14 10.664 -12.150 -1.819 1.00 0.00 C ATOM 228 OG1 THR A 14 11.226 -11.734 -3.052 1.00 0.00 O ATOM 229 CG2 THR A 14 10.276 -13.606 -1.960 1.00 0.00 C ATOM 0 H THR A 14 10.766 -9.844 -0.530 1.00 0.00 H new ATOM 0 HA THR A 14 8.785 -11.204 -2.255 1.00 0.00 H new ATOM 0 HB THR A 14 11.384 -12.059 -1.006 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.620 -11.971 -3.784 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.152 -14.191 -2.240 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.884 -13.972 -1.011 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.512 -13.706 -2.731 1.00 0.00 H new ATOM 237 N VAL A 15 7.530 -12.245 -0.410 1.00 0.00 N ATOM 238 CA VAL A 15 6.735 -12.818 0.669 1.00 0.00 C ATOM 239 C VAL A 15 6.125 -14.152 0.253 1.00 0.00 C ATOM 240 O VAL A 15 5.875 -14.389 -0.930 1.00 0.00 O ATOM 241 CB VAL A 15 5.605 -11.863 1.101 1.00 0.00 C ATOM 242 CG1 VAL A 15 6.098 -10.906 2.176 1.00 0.00 C ATOM 243 CG2 VAL A 15 5.065 -11.099 -0.097 1.00 0.00 C ATOM 0 H VAL A 15 7.050 -12.198 -1.309 1.00 0.00 H new ATOM 0 HA VAL A 15 7.410 -12.976 1.510 1.00 0.00 H new ATOM 0 HB VAL A 15 4.792 -12.456 1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.287 -10.239 2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.432 -11.475 3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.929 -10.318 1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.268 -10.430 0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.868 -10.516 -0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.672 -11.803 -0.830 1.00 0.00 H new ATOM 253 N GLU A 16 5.891 -15.021 1.230 1.00 0.00 N ATOM 254 CA GLU A 16 5.312 -16.333 0.962 1.00 0.00 C ATOM 255 C GLU A 16 3.903 -16.437 1.538 1.00 0.00 C ATOM 256 O GLU A 16 3.702 -16.297 2.744 1.00 0.00 O ATOM 257 CB GLU A 16 6.197 -17.433 1.550 1.00 0.00 C ATOM 258 CG GLU A 16 7.524 -17.598 0.828 1.00 0.00 C ATOM 259 CD GLU A 16 8.467 -16.436 1.071 1.00 0.00 C ATOM 260 OE1 GLU A 16 9.010 -16.337 2.191 1.00 0.00 O ATOM 261 OE2 GLU A 16 8.664 -15.626 0.141 1.00 0.00 O ATOM 0 H GLU A 16 6.093 -14.841 2.214 1.00 0.00 H new ATOM 0 HA GLU A 16 5.253 -16.461 -0.119 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.389 -17.211 2.600 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.656 -18.379 1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.000 -18.522 1.156 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.342 -17.696 -0.242 1.00 0.00 H new ATOM 268 N LEU A 17 2.931 -16.687 0.666 1.00 0.00 N ATOM 269 CA LEU A 17 1.541 -16.813 1.085 1.00 0.00 C ATOM 270 C LEU A 17 0.791 -17.795 0.190 1.00 0.00 C ATOM 271 O LEU A 17 1.346 -18.317 -0.777 1.00 0.00 O ATOM 272 CB LEU A 17 0.851 -15.447 1.058 1.00 0.00 C ATOM 273 CG LEU A 17 1.318 -14.464 2.135 1.00 0.00 C ATOM 274 CD1 LEU A 17 0.906 -13.045 1.776 1.00 0.00 C ATOM 275 CD2 LEU A 17 0.759 -14.858 3.494 1.00 0.00 C ATOM 0 H LEU A 17 3.082 -16.806 -0.336 1.00 0.00 H new ATOM 0 HA LEU A 17 1.528 -17.197 2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.013 -14.994 0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.223 -15.597 1.166 1.00 0.00 H new ATOM 0 HG LEU A 17 2.406 -14.501 2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.246 -12.360 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.356 -12.766 0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.180 -12.991 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.101 -14.149 4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.330 -14.850 3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.105 -15.858 3.754 1.00 0.00 H new ATOM 287 N GLU A 18 -0.471 -18.044 0.520 1.00 0.00 N ATOM 288 CA GLU A 18 -1.297 -18.967 -0.252 1.00 0.00 C ATOM 289 C GLU A 18 -2.441 -18.228 -0.940 1.00 0.00 C ATOM 290 O GLU A 18 -2.824 -17.133 -0.527 1.00 0.00 O ATOM 291 CB GLU A 18 -1.854 -20.062 0.659 1.00 0.00 C ATOM 292 CG GLU A 18 -0.783 -20.950 1.267 1.00 0.00 C ATOM 293 CD GLU A 18 -0.792 -22.353 0.693 1.00 0.00 C ATOM 294 OE1 GLU A 18 -0.557 -22.499 -0.525 1.00 0.00 O ATOM 295 OE2 GLU A 18 -1.034 -23.307 1.462 1.00 0.00 O ATOM 0 H GLU A 18 -0.945 -17.620 1.317 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.672 -19.424 -1.020 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.428 -19.598 1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.546 -20.681 0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.195 -20.499 1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.929 -21.002 2.346 1.00 0.00 H new ATOM 302 N PRO A 19 -3.006 -18.823 -2.003 1.00 0.00 N ATOM 303 CA PRO A 19 -4.115 -18.220 -2.750 1.00 0.00 C ATOM 304 C PRO A 19 -5.365 -18.058 -1.894 1.00 0.00 C ATOM 305 O PRO A 19 -6.264 -17.287 -2.229 1.00 0.00 O ATOM 306 CB PRO A 19 -4.369 -19.215 -3.888 1.00 0.00 C ATOM 307 CG PRO A 19 -3.786 -20.502 -3.413 1.00 0.00 C ATOM 308 CD PRO A 19 -2.611 -20.128 -2.555 1.00 0.00 C ATOM 0 HA PRO A 19 -3.873 -17.215 -3.096 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.435 -19.316 -4.093 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.896 -18.885 -4.813 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.518 -21.076 -2.845 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.475 -21.124 -4.253 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.435 -20.862 -1.769 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.692 -20.058 -3.137 1.00 0.00 H new ATOM 316 N SER A 20 -5.414 -18.790 -0.785 1.00 0.00 N ATOM 317 CA SER A 20 -6.554 -18.726 0.122 1.00 0.00 C ATOM 318 C SER A 20 -6.467 -17.492 1.014 1.00 0.00 C ATOM 319 O SER A 20 -7.451 -17.094 1.638 1.00 0.00 O ATOM 320 CB SER A 20 -6.616 -19.988 0.984 1.00 0.00 C ATOM 321 OG SER A 20 -5.321 -20.520 1.205 1.00 0.00 O ATOM 0 H SER A 20 -4.678 -19.433 -0.493 1.00 0.00 H new ATOM 0 HA SER A 20 -7.462 -18.658 -0.477 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.085 -19.756 1.940 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.241 -20.735 0.495 1.00 0.00 H new ATOM 0 HG SER A 20 -5.388 -21.325 1.760 1.00 0.00 H new ATOM 327 N ASP A 21 -5.282 -16.890 1.069 1.00 0.00 N ATOM 328 CA ASP A 21 -5.065 -15.701 1.884 1.00 0.00 C ATOM 329 C ASP A 21 -5.834 -14.508 1.325 1.00 0.00 C ATOM 330 O ASP A 21 -6.257 -14.517 0.168 1.00 0.00 O ATOM 331 CB ASP A 21 -3.572 -15.374 1.955 1.00 0.00 C ATOM 332 CG ASP A 21 -2.772 -16.476 2.623 1.00 0.00 C ATOM 333 OD1 ASP A 21 -3.391 -17.419 3.158 1.00 0.00 O ATOM 334 OD2 ASP A 21 -1.526 -16.394 2.610 1.00 0.00 O ATOM 0 H ASP A 21 -4.458 -17.207 0.558 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.434 -15.907 2.889 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.190 -15.211 0.947 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.432 -14.443 2.504 1.00 0.00 H new ATOM 339 N THR A 22 -6.011 -13.484 2.152 1.00 0.00 N ATOM 340 CA THR A 22 -6.730 -12.284 1.741 1.00 0.00 C ATOM 341 C THR A 22 -5.819 -11.060 1.771 1.00 0.00 C ATOM 342 O THR A 22 -4.773 -11.066 2.423 1.00 0.00 O ATOM 343 CB THR A 22 -7.942 -12.055 2.645 1.00 0.00 C ATOM 344 OG1 THR A 22 -7.541 -11.533 3.899 1.00 0.00 O ATOM 345 CG2 THR A 22 -8.741 -13.314 2.907 1.00 0.00 C ATOM 0 H THR A 22 -5.666 -13.461 3.112 1.00 0.00 H new ATOM 0 HA THR A 22 -7.071 -12.432 0.716 1.00 0.00 H new ATOM 0 HB THR A 22 -8.574 -11.349 2.106 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.815 -12.081 4.264 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.586 -13.080 3.555 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.108 -13.715 1.962 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.105 -14.054 3.393 1.00 0.00 H new ATOM 353 N VAL A 23 -6.226 -10.011 1.064 1.00 0.00 N ATOM 354 CA VAL A 23 -5.451 -8.780 1.013 1.00 0.00 C ATOM 355 C VAL A 23 -5.032 -8.346 2.413 1.00 0.00 C ATOM 356 O VAL A 23 -3.922 -7.855 2.616 1.00 0.00 O ATOM 357 CB VAL A 23 -6.244 -7.640 0.349 1.00 0.00 C ATOM 358 CG1 VAL A 23 -5.473 -6.332 0.435 1.00 0.00 C ATOM 359 CG2 VAL A 23 -6.565 -7.984 -1.097 1.00 0.00 C ATOM 0 H VAL A 23 -7.088 -9.990 0.519 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.564 -8.986 0.414 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.184 -7.516 0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.049 -5.538 -0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.300 -6.079 1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.516 -6.440 -0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.126 -7.166 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.638 -8.137 -1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.162 -8.895 -1.130 1.00 0.00 H new ATOM 369 N GLU A 24 -5.928 -8.538 3.377 1.00 0.00 N ATOM 370 CA GLU A 24 -5.649 -8.172 4.760 1.00 0.00 C ATOM 371 C GLU A 24 -4.335 -8.792 5.219 1.00 0.00 C ATOM 372 O GLU A 24 -3.496 -8.121 5.819 1.00 0.00 O ATOM 373 CB GLU A 24 -6.790 -8.627 5.672 1.00 0.00 C ATOM 374 CG GLU A 24 -7.578 -7.478 6.281 1.00 0.00 C ATOM 375 CD GLU A 24 -8.707 -7.954 7.174 1.00 0.00 C ATOM 376 OE1 GLU A 24 -8.590 -9.062 7.739 1.00 0.00 O ATOM 377 OE2 GLU A 24 -9.707 -7.219 7.310 1.00 0.00 O ATOM 0 H GLU A 24 -6.851 -8.944 3.225 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.564 -7.087 4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.469 -9.260 5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.380 -9.241 6.474 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.904 -6.846 6.859 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.988 -6.860 5.482 1.00 0.00 H new ATOM 384 N ASN A 25 -4.160 -10.076 4.926 1.00 0.00 N ATOM 385 CA ASN A 25 -2.944 -10.786 5.300 1.00 0.00 C ATOM 386 C ASN A 25 -1.738 -10.181 4.593 1.00 0.00 C ATOM 387 O ASN A 25 -0.747 -9.821 5.229 1.00 0.00 O ATOM 388 CB ASN A 25 -3.065 -12.271 4.954 1.00 0.00 C ATOM 389 CG ASN A 25 -4.316 -12.899 5.537 1.00 0.00 C ATOM 390 OD1 ASN A 25 -5.121 -13.490 4.819 1.00 0.00 O ATOM 391 ND2 ASN A 25 -4.484 -12.773 6.849 1.00 0.00 N ATOM 0 H ASN A 25 -4.846 -10.646 4.430 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.805 -10.688 6.377 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.073 -12.390 3.870 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.188 -12.801 5.326 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.306 -13.175 7.299 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.790 -12.274 7.406 1.00 0.00 H new ATOM 398 N LEU A 26 -1.834 -10.059 3.273 1.00 0.00 N ATOM 399 CA LEU A 26 -0.752 -9.486 2.482 1.00 0.00 C ATOM 400 C LEU A 26 -0.312 -8.152 3.078 1.00 0.00 C ATOM 401 O LEU A 26 0.880 -7.909 3.279 1.00 0.00 O ATOM 402 CB LEU A 26 -1.198 -9.293 1.031 1.00 0.00 C ATOM 403 CG LEU A 26 -0.212 -8.532 0.144 1.00 0.00 C ATOM 404 CD1 LEU A 26 1.027 -9.372 -0.121 1.00 0.00 C ATOM 405 CD2 LEU A 26 -0.878 -8.131 -1.165 1.00 0.00 C ATOM 0 H LEU A 26 -2.648 -10.348 2.730 1.00 0.00 H new ATOM 0 HA LEU A 26 0.093 -10.174 2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.378 -10.273 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.150 -8.762 1.028 1.00 0.00 H new ATOM 0 HG LEU A 26 0.096 -7.626 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.717 -8.814 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.514 -9.610 0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.740 -10.295 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.164 -7.590 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.213 -9.025 -1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.735 -7.491 -0.956 1.00 0.00 H new ATOM 417 N LYS A 27 -1.286 -7.296 3.368 1.00 0.00 N ATOM 418 CA LYS A 27 -1.005 -5.992 3.953 1.00 0.00 C ATOM 419 C LYS A 27 -0.246 -6.152 5.264 1.00 0.00 C ATOM 420 O LYS A 27 0.764 -5.488 5.495 1.00 0.00 O ATOM 421 CB LYS A 27 -2.304 -5.222 4.190 1.00 0.00 C ATOM 422 CG LYS A 27 -3.165 -5.086 2.944 1.00 0.00 C ATOM 423 CD LYS A 27 -3.308 -3.633 2.520 1.00 0.00 C ATOM 424 CE LYS A 27 -4.248 -3.491 1.334 1.00 0.00 C ATOM 425 NZ LYS A 27 -4.471 -2.064 0.971 1.00 0.00 N ATOM 0 H LYS A 27 -2.276 -7.482 3.207 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.386 -5.428 3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.879 -5.726 4.966 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.064 -4.228 4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.723 -5.661 2.131 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.151 -5.509 3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.684 -3.044 3.356 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.329 -3.230 2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.835 -4.023 0.477 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.204 -3.959 1.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.421 -1.954 0.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.391 -1.473 1.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.757 -1.767 0.275 1.00 0.00 H new ATOM 439 N ALA A 28 -0.735 -7.047 6.117 1.00 0.00 N ATOM 440 CA ALA A 28 -0.096 -7.302 7.400 1.00 0.00 C ATOM 441 C ALA A 28 1.405 -7.486 7.220 1.00 0.00 C ATOM 442 O ALA A 28 2.204 -6.965 7.997 1.00 0.00 O ATOM 443 CB ALA A 28 -0.707 -8.527 8.063 1.00 0.00 C ATOM 0 H ALA A 28 -1.570 -7.606 5.942 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.262 -6.440 8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.218 -8.704 9.021 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.772 -8.360 8.224 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.569 -9.396 7.419 1.00 0.00 H new ATOM 449 N LYS A 29 1.779 -8.225 6.179 1.00 0.00 N ATOM 450 CA LYS A 29 3.185 -8.472 5.885 1.00 0.00 C ATOM 451 C LYS A 29 3.904 -7.162 5.584 1.00 0.00 C ATOM 452 O LYS A 29 4.973 -6.888 6.128 1.00 0.00 O ATOM 453 CB LYS A 29 3.322 -9.428 4.701 1.00 0.00 C ATOM 454 CG LYS A 29 2.541 -10.721 4.868 1.00 0.00 C ATOM 455 CD LYS A 29 3.094 -11.563 6.006 1.00 0.00 C ATOM 456 CE LYS A 29 3.784 -12.815 5.488 1.00 0.00 C ATOM 457 NZ LYS A 29 5.021 -13.127 6.255 1.00 0.00 N ATOM 0 H LYS A 29 1.128 -8.662 5.527 1.00 0.00 H new ATOM 0 HA LYS A 29 3.644 -8.930 6.761 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.983 -8.923 3.796 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.376 -9.666 4.557 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.493 -10.492 5.060 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.578 -11.292 3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.801 -10.971 6.588 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.284 -11.845 6.679 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.097 -13.659 5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.034 -12.682 4.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.461 -13.987 5.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.688 -12.333 6.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.780 -13.279 7.255 1.00 0.00 H new ATOM 471 N ILE A 30 3.304 -6.351 4.715 1.00 0.00 N ATOM 472 CA ILE A 30 3.886 -5.065 4.347 1.00 0.00 C ATOM 473 C ILE A 30 4.082 -4.185 5.578 1.00 0.00 C ATOM 474 O ILE A 30 4.915 -3.277 5.581 1.00 0.00 O ATOM 475 CB ILE A 30 3.005 -4.318 3.327 1.00 0.00 C ATOM 476 CG1 ILE A 30 2.708 -5.212 2.122 1.00 0.00 C ATOM 477 CG2 ILE A 30 3.686 -3.031 2.883 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.144 -4.461 0.936 1.00 0.00 C ATOM 0 H ILE A 30 2.418 -6.562 4.255 1.00 0.00 H new ATOM 0 HA ILE A 30 4.854 -5.272 3.891 1.00 0.00 H new ATOM 0 HB ILE A 30 2.060 -4.062 3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.626 -5.716 1.819 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.002 -5.987 2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.052 -2.514 2.163 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.850 -2.389 3.748 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.644 -3.267 2.420 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.958 -5.158 0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.209 -3.979 1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.858 -3.704 0.612 1.00 0.00 H new ATOM 490 N GLN A 31 3.308 -4.460 6.622 1.00 0.00 N ATOM 491 CA GLN A 31 3.396 -3.699 7.862 1.00 0.00 C ATOM 492 C GLN A 31 4.403 -4.336 8.815 1.00 0.00 C ATOM 493 O GLN A 31 4.938 -3.673 9.704 1.00 0.00 O ATOM 494 CB GLN A 31 2.024 -3.615 8.532 1.00 0.00 C ATOM 495 CG GLN A 31 1.969 -2.625 9.684 1.00 0.00 C ATOM 496 CD GLN A 31 0.573 -2.474 10.257 1.00 0.00 C ATOM 497 OE1 GLN A 31 0.387 -2.472 11.474 1.00 0.00 O ATOM 498 NE2 GLN A 31 -0.415 -2.348 9.380 1.00 0.00 N ATOM 0 H GLN A 31 2.612 -5.205 6.634 1.00 0.00 H new ATOM 0 HA GLN A 31 3.735 -2.692 7.621 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.281 -3.333 7.786 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.747 -4.603 8.900 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.648 -2.952 10.472 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.324 -1.653 9.340 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.213 -2.355 8.380 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.376 -2.244 9.706 1.00 0.00 H new ATOM 507 N ASP A 32 4.655 -5.627 8.622 1.00 0.00 N ATOM 508 CA ASP A 32 5.594 -6.358 9.463 1.00 0.00 C ATOM 509 C ASP A 32 7.012 -6.276 8.904 1.00 0.00 C ATOM 510 O ASP A 32 7.962 -6.754 9.525 1.00 0.00 O ATOM 511 CB ASP A 32 5.168 -7.817 9.586 1.00 0.00 C ATOM 512 CG ASP A 32 5.012 -8.253 11.029 1.00 0.00 C ATOM 513 OD1 ASP A 32 3.963 -7.946 11.634 1.00 0.00 O ATOM 514 OD2 ASP A 32 5.940 -8.903 11.558 1.00 0.00 O ATOM 0 H ASP A 32 4.221 -6.188 7.889 1.00 0.00 H new ATOM 0 HA ASP A 32 5.588 -5.898 10.451 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.224 -7.963 9.061 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.907 -8.451 9.095 1.00 0.00 H new ATOM 519 N LYS A 33 7.150 -5.668 7.731 1.00 0.00 N ATOM 520 CA LYS A 33 8.454 -5.525 7.094 1.00 0.00 C ATOM 521 C LYS A 33 8.790 -4.054 6.872 1.00 0.00 C ATOM 522 O LYS A 33 9.766 -3.540 7.418 1.00 0.00 O ATOM 523 CB LYS A 33 8.481 -6.275 5.760 1.00 0.00 C ATOM 524 CG LYS A 33 8.588 -7.784 5.912 1.00 0.00 C ATOM 525 CD LYS A 33 9.977 -8.200 6.372 1.00 0.00 C ATOM 526 CE LYS A 33 10.187 -9.698 6.225 1.00 0.00 C ATOM 527 NZ LYS A 33 11.392 -10.166 6.966 1.00 0.00 N ATOM 0 H LYS A 33 6.376 -5.267 7.202 1.00 0.00 H new ATOM 0 HA LYS A 33 9.204 -5.955 7.757 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.576 -6.038 5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.324 -5.917 5.169 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.846 -8.132 6.631 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.360 -8.264 4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.729 -7.667 5.790 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.118 -7.912 7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.307 -10.226 6.593 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.290 -9.948 5.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.500 -11.193 6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.236 -9.682 6.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.283 -9.951 7.978 1.00 0.00 H new ATOM 541 N GLU A 34 7.972 -3.382 6.069 1.00 0.00 N ATOM 542 CA GLU A 34 8.179 -1.969 5.777 1.00 0.00 C ATOM 543 C GLU A 34 7.441 -1.095 6.786 1.00 0.00 C ATOM 544 O GLU A 34 7.701 0.102 6.895 1.00 0.00 O ATOM 545 CB GLU A 34 7.705 -1.645 4.359 1.00 0.00 C ATOM 546 CG GLU A 34 8.807 -1.732 3.315 1.00 0.00 C ATOM 547 CD GLU A 34 8.410 -1.106 1.992 1.00 0.00 C ATOM 548 OE1 GLU A 34 7.497 -1.644 1.331 1.00 0.00 O ATOM 549 OE2 GLU A 34 9.014 -0.079 1.617 1.00 0.00 O ATOM 0 H GLU A 34 7.160 -3.793 5.609 1.00 0.00 H new ATOM 0 HA GLU A 34 9.246 -1.759 5.851 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.903 -2.331 4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.282 -0.640 4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.701 -1.236 3.694 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.067 -2.778 3.154 1.00 0.00 H new ATOM 556 N GLY A 35 6.518 -1.707 7.521 1.00 0.00 N ATOM 557 CA GLY A 35 5.753 -0.973 8.514 1.00 0.00 C ATOM 558 C GLY A 35 4.791 0.017 7.889 1.00 0.00 C ATOM 559 O GLY A 35 4.601 1.118 8.405 1.00 0.00 O ATOM 0 H GLY A 35 6.286 -2.697 7.447 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.195 -1.677 9.131 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.437 -0.442 9.176 1.00 0.00 H new ATOM 563 N ILE A 36 4.182 -0.375 6.775 1.00 0.00 N ATOM 564 CA ILE A 36 3.234 0.488 6.080 1.00 0.00 C ATOM 565 C ILE A 36 1.795 0.069 6.364 1.00 0.00 C ATOM 566 O ILE A 36 1.448 -1.105 6.251 1.00 0.00 O ATOM 567 CB ILE A 36 3.469 0.468 4.558 1.00 0.00 C ATOM 568 CG1 ILE A 36 4.897 0.912 4.233 1.00 0.00 C ATOM 569 CG2 ILE A 36 2.456 1.358 3.853 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.314 0.612 2.811 1.00 0.00 C ATOM 0 H ILE A 36 4.328 -1.283 6.335 1.00 0.00 H new ATOM 0 HA ILE A 36 3.396 1.499 6.454 1.00 0.00 H new ATOM 0 HB ILE A 36 3.337 -0.553 4.199 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.985 1.984 4.410 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.587 0.418 4.917 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.636 1.333 2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.448 0.998 4.061 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.557 2.381 4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.337 0.954 2.652 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.259 -0.462 2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.647 1.128 2.120 1.00 0.00 H new ATOM 582 N PRO A 37 0.937 1.033 6.736 1.00 0.00 N ATOM 583 CA PRO A 37 -0.473 0.763 7.035 1.00 0.00 C ATOM 584 C PRO A 37 -1.214 0.191 5.831 1.00 0.00 C ATOM 585 O PRO A 37 -0.883 0.497 4.687 1.00 0.00 O ATOM 586 CB PRO A 37 -1.041 2.137 7.410 1.00 0.00 C ATOM 587 CG PRO A 37 0.146 2.979 7.734 1.00 0.00 C ATOM 588 CD PRO A 37 1.273 2.455 6.891 1.00 0.00 C ATOM 0 HA PRO A 37 -0.584 0.020 7.824 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.613 2.564 6.586 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.716 2.064 8.263 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.049 4.029 7.514 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.391 2.916 8.794 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.327 2.964 5.929 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.238 2.591 7.378 1.00 0.00 H new ATOM 596 N PRO A 38 -2.226 -0.651 6.080 1.00 0.00 N ATOM 597 CA PRO A 38 -3.022 -1.278 5.018 1.00 0.00 C ATOM 598 C PRO A 38 -3.729 -0.256 4.134 1.00 0.00 C ATOM 599 O PRO A 38 -3.861 -0.453 2.926 1.00 0.00 O ATOM 600 CB PRO A 38 -4.049 -2.122 5.781 1.00 0.00 C ATOM 601 CG PRO A 38 -3.474 -2.300 7.145 1.00 0.00 C ATOM 602 CD PRO A 38 -2.671 -1.061 7.419 1.00 0.00 C ATOM 0 HA PRO A 38 -2.396 -1.857 4.339 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.016 -1.621 5.824 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.209 -3.083 5.293 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.262 -2.427 7.887 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.847 -3.190 7.191 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.272 -0.288 7.898 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.828 -1.264 8.079 1.00 0.00 H new ATOM 610 N ASP A 39 -4.188 0.833 4.743 1.00 0.00 N ATOM 611 CA ASP A 39 -4.887 1.882 4.010 1.00 0.00 C ATOM 612 C ASP A 39 -3.919 2.713 3.171 1.00 0.00 C ATOM 613 O ASP A 39 -4.325 3.657 2.493 1.00 0.00 O ATOM 614 CB ASP A 39 -5.646 2.790 4.979 1.00 0.00 C ATOM 615 CG ASP A 39 -6.847 3.453 4.332 1.00 0.00 C ATOM 616 OD1 ASP A 39 -6.655 4.458 3.617 1.00 0.00 O ATOM 617 OD2 ASP A 39 -7.978 2.965 4.541 1.00 0.00 O ATOM 0 H ASP A 39 -4.088 1.012 5.742 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.596 1.401 3.336 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.976 2.205 5.837 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.971 3.558 5.357 1.00 0.00 H new ATOM 622 N GLN A 40 -2.637 2.361 3.222 1.00 0.00 N ATOM 623 CA GLN A 40 -1.619 3.081 2.467 1.00 0.00 C ATOM 624 C GLN A 40 -0.967 2.180 1.422 1.00 0.00 C ATOM 625 O GLN A 40 -0.002 2.575 0.766 1.00 0.00 O ATOM 626 CB GLN A 40 -0.553 3.635 3.413 1.00 0.00 C ATOM 627 CG GLN A 40 -1.061 4.745 4.318 1.00 0.00 C ATOM 628 CD GLN A 40 -0.337 6.058 4.091 1.00 0.00 C ATOM 629 OE1 GLN A 40 0.609 6.390 4.808 1.00 0.00 O ATOM 630 NE2 GLN A 40 -0.776 6.811 3.091 1.00 0.00 N ATOM 0 H GLN A 40 -2.280 1.583 3.777 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.107 3.907 1.950 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.168 2.822 4.029 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.283 4.012 2.824 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.128 4.888 4.148 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.942 4.444 5.359 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.563 6.496 2.523 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.327 7.704 2.890 1.00 0.00 H new ATOM 639 N GLN A 41 -1.495 0.969 1.271 1.00 0.00 N ATOM 640 CA GLN A 41 -0.954 0.020 0.304 1.00 0.00 C ATOM 641 C GLN A 41 -1.880 -0.133 -0.898 1.00 0.00 C ATOM 642 O GLN A 41 -2.789 -0.963 -0.891 1.00 0.00 O ATOM 643 CB GLN A 41 -0.730 -1.343 0.960 1.00 0.00 C ATOM 644 CG GLN A 41 -0.200 -1.254 2.379 1.00 0.00 C ATOM 645 CD GLN A 41 -0.003 -2.616 3.014 1.00 0.00 C ATOM 646 OE1 GLN A 41 0.137 -3.623 2.319 1.00 0.00 O ATOM 647 NE2 GLN A 41 0.010 -2.655 4.341 1.00 0.00 N ATOM 0 H GLN A 41 -2.293 0.623 1.803 1.00 0.00 H new ATOM 0 HA GLN A 41 0.001 0.412 -0.045 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.671 -1.893 0.966 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.029 -1.918 0.355 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.749 -0.718 2.375 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.893 -0.671 2.986 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.110 -1.796 4.878 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.140 -3.544 4.824 1.00 0.00 H new ATOM 656 N ARG A 42 -1.637 0.665 -1.930 1.00 0.00 N ATOM 657 CA ARG A 42 -2.443 0.611 -3.143 1.00 0.00 C ATOM 658 C ARG A 42 -1.768 -0.270 -4.189 1.00 0.00 C ATOM 659 O ARG A 42 -0.940 0.200 -4.970 1.00 0.00 O ATOM 660 CB ARG A 42 -2.661 2.017 -3.703 1.00 0.00 C ATOM 661 CG ARG A 42 -3.489 2.043 -4.977 1.00 0.00 C ATOM 662 CD ARG A 42 -4.023 3.436 -5.265 1.00 0.00 C ATOM 663 NE ARG A 42 -5.472 3.510 -5.105 1.00 0.00 N ATOM 664 CZ ARG A 42 -6.201 4.561 -5.467 1.00 0.00 C ATOM 665 NH1 ARG A 42 -5.616 5.623 -6.003 1.00 0.00 N ATOM 666 NH2 ARG A 42 -7.515 4.552 -5.291 1.00 0.00 N ATOM 0 H ARG A 42 -0.888 1.357 -1.951 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.413 0.180 -2.893 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.154 2.628 -2.947 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.692 2.475 -3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.880 1.705 -5.815 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.321 1.345 -4.886 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.547 4.152 -4.595 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.755 3.724 -6.282 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.952 2.710 -4.692 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.605 5.634 -6.138 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.177 6.429 -6.280 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.969 3.738 -4.877 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.072 5.360 -5.569 1.00 0.00 H new ATOM 680 N LEU A 43 -2.119 -1.550 -4.191 1.00 0.00 N ATOM 681 CA LEU A 43 -1.540 -2.501 -5.132 1.00 0.00 C ATOM 682 C LEU A 43 -2.354 -2.567 -6.420 1.00 0.00 C ATOM 683 O LEU A 43 -3.543 -2.887 -6.401 1.00 0.00 O ATOM 684 CB LEU A 43 -1.458 -3.891 -4.498 1.00 0.00 C ATOM 685 CG LEU A 43 -1.097 -3.903 -3.011 1.00 0.00 C ATOM 686 CD1 LEU A 43 -0.880 -5.328 -2.526 1.00 0.00 C ATOM 687 CD2 LEU A 43 0.142 -3.056 -2.756 1.00 0.00 C ATOM 0 H LEU A 43 -2.803 -1.954 -3.551 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.535 -2.158 -5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.418 -4.390 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.718 -4.478 -5.041 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.928 -3.473 -2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.624 -5.317 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.793 -5.905 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.067 -5.785 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.384 -3.076 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.980 -3.456 -3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.050 -2.028 -3.065 1.00 0.00 H new ATOM 699 N ILE A 44 -1.702 -2.267 -7.539 1.00 0.00 N ATOM 700 CA ILE A 44 -2.359 -2.295 -8.839 1.00 0.00 C ATOM 701 C ILE A 44 -1.822 -3.435 -9.697 1.00 0.00 C ATOM 702 O ILE A 44 -1.106 -3.207 -10.673 1.00 0.00 O ATOM 703 CB ILE A 44 -2.173 -0.967 -9.596 1.00 0.00 C ATOM 704 CG1 ILE A 44 -2.605 0.211 -8.721 1.00 0.00 C ATOM 705 CG2 ILE A 44 -2.961 -0.988 -10.895 1.00 0.00 C ATOM 706 CD1 ILE A 44 -3.938 0.000 -8.038 1.00 0.00 C ATOM 0 H ILE A 44 -0.718 -2.001 -7.570 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.422 -2.449 -8.653 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.117 -0.845 -9.835 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.842 0.389 -7.963 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.659 1.109 -9.336 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.821 -0.043 -11.421 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.608 -1.808 -11.521 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.020 -1.128 -10.676 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.180 0.875 -7.435 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.713 -0.148 -8.790 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.883 -0.879 -7.396 1.00 0.00 H new ATOM 718 N PHE A 45 -2.170 -4.662 -9.326 1.00 0.00 N ATOM 719 CA PHE A 45 -1.722 -5.841 -10.060 1.00 0.00 C ATOM 720 C PHE A 45 -2.031 -5.708 -11.548 1.00 0.00 C ATOM 721 O PHE A 45 -3.130 -6.033 -11.996 1.00 0.00 O ATOM 722 CB PHE A 45 -2.387 -7.099 -9.501 1.00 0.00 C ATOM 723 CG PHE A 45 -1.871 -8.372 -10.108 1.00 0.00 C ATOM 724 CD1 PHE A 45 -0.527 -8.711 -10.007 1.00 0.00 C ATOM 725 CD2 PHE A 45 -2.732 -9.232 -10.783 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.049 -9.886 -10.567 1.00 0.00 C ATOM 727 CE2 PHE A 45 -2.259 -10.408 -11.345 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.916 -10.735 -11.236 1.00 0.00 C ATOM 0 H PHE A 45 -2.761 -4.867 -8.521 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.642 -5.924 -9.938 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.233 -7.132 -8.422 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.462 -7.036 -9.668 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.152 -8.052 -9.487 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.779 -8.981 -10.870 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.997 -10.139 -10.482 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.936 -11.068 -11.867 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.546 -11.651 -11.672 1.00 0.00 H new ATOM 738 N ALA A 46 -1.053 -5.227 -12.309 1.00 0.00 N ATOM 739 CA ALA A 46 -1.222 -5.052 -13.747 1.00 0.00 C ATOM 740 C ALA A 46 -2.504 -4.288 -14.058 1.00 0.00 C ATOM 741 O ALA A 46 -3.077 -4.432 -15.139 1.00 0.00 O ATOM 742 CB ALA A 46 -1.227 -6.403 -14.446 1.00 0.00 C ATOM 0 H ALA A 46 -0.137 -4.952 -11.955 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.381 -4.467 -14.119 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.354 -6.257 -15.519 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.282 -6.913 -14.258 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.048 -7.008 -14.062 1.00 0.00 H new ATOM 748 N GLY A 47 -2.949 -3.477 -13.105 1.00 0.00 N ATOM 749 CA GLY A 47 -4.161 -2.703 -13.296 1.00 0.00 C ATOM 750 C GLY A 47 -5.278 -3.138 -12.368 1.00 0.00 C ATOM 751 O GLY A 47 -6.367 -2.565 -12.384 1.00 0.00 O ATOM 0 H GLY A 47 -2.492 -3.342 -12.203 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.945 -1.648 -13.130 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.492 -2.801 -14.330 1.00 0.00 H new ATOM 755 N LYS A 48 -5.008 -4.157 -11.558 1.00 0.00 N ATOM 756 CA LYS A 48 -5.996 -4.673 -10.619 1.00 0.00 C ATOM 757 C LYS A 48 -5.870 -3.983 -9.263 1.00 0.00 C ATOM 758 O LYS A 48 -4.826 -4.054 -8.616 1.00 0.00 O ATOM 759 CB LYS A 48 -5.830 -6.184 -10.451 1.00 0.00 C ATOM 760 CG LYS A 48 -7.029 -6.985 -10.931 1.00 0.00 C ATOM 761 CD LYS A 48 -6.606 -8.311 -11.541 1.00 0.00 C ATOM 762 CE LYS A 48 -7.388 -8.618 -12.808 1.00 0.00 C ATOM 763 NZ LYS A 48 -8.645 -9.362 -12.519 1.00 0.00 N ATOM 0 H LYS A 48 -4.111 -4.642 -11.534 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.987 -4.465 -11.022 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.945 -6.507 -10.999 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.652 -6.407 -9.399 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.704 -7.167 -10.095 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.584 -6.405 -11.668 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.540 -8.284 -11.768 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.758 -9.111 -10.816 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.627 -7.687 -13.321 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.767 -9.204 -13.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.149 -9.552 -13.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.416 -10.263 -12.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.250 -8.792 -11.894 1.00 0.00 H new ATOM 777 N GLN A 49 -6.941 -3.319 -8.841 1.00 0.00 N ATOM 778 CA GLN A 49 -6.950 -2.619 -7.561 1.00 0.00 C ATOM 779 C GLN A 49 -7.371 -3.552 -6.431 1.00 0.00 C ATOM 780 O GLN A 49 -8.561 -3.766 -6.199 1.00 0.00 O ATOM 781 CB GLN A 49 -7.892 -1.415 -7.620 1.00 0.00 C ATOM 782 CG GLN A 49 -7.386 -0.207 -6.849 1.00 0.00 C ATOM 783 CD GLN A 49 -7.904 1.102 -7.410 1.00 0.00 C ATOM 784 OE1 GLN A 49 -7.916 1.310 -8.623 1.00 0.00 O ATOM 785 NE2 GLN A 49 -8.337 1.995 -6.527 1.00 0.00 N ATOM 0 H GLN A 49 -7.813 -3.251 -9.366 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.937 -2.270 -7.361 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.043 -1.133 -8.662 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.865 -1.706 -7.225 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.687 -0.295 -5.805 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.296 -0.200 -6.867 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.309 1.781 -5.530 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.697 2.894 -6.846 1.00 0.00 H new ATOM 794 N LEU A 50 -6.386 -4.106 -5.729 1.00 0.00 N ATOM 795 CA LEU A 50 -6.656 -5.017 -4.622 1.00 0.00 C ATOM 796 C LEU A 50 -7.568 -4.359 -3.590 1.00 0.00 C ATOM 797 O LEU A 50 -7.211 -3.345 -2.990 1.00 0.00 O ATOM 798 CB LEU A 50 -5.346 -5.452 -3.961 1.00 0.00 C ATOM 799 CG LEU A 50 -4.353 -6.152 -4.891 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.279 -6.865 -4.084 1.00 0.00 C ATOM 801 CD2 LEU A 50 -5.078 -7.134 -5.801 1.00 0.00 C ATOM 0 H LEU A 50 -5.395 -3.940 -5.907 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.162 -5.897 -5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.863 -4.573 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.579 -6.122 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.871 -5.397 -5.513 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.581 -7.357 -4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.741 -6.140 -3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.744 -7.610 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.357 -7.623 -6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.586 -7.885 -5.195 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.811 -6.598 -6.404 1.00 0.00 H new ATOM 813 N GLU A 51 -8.745 -4.942 -3.390 1.00 0.00 N ATOM 814 CA GLU A 51 -9.707 -4.408 -2.432 1.00 0.00 C ATOM 815 C GLU A 51 -9.830 -5.320 -1.214 1.00 0.00 C ATOM 816 O GLU A 51 -10.359 -6.428 -1.306 1.00 0.00 O ATOM 817 CB GLU A 51 -11.076 -4.237 -3.094 1.00 0.00 C ATOM 818 CG GLU A 51 -11.010 -3.587 -4.466 1.00 0.00 C ATOM 819 CD GLU A 51 -12.338 -2.995 -4.896 1.00 0.00 C ATOM 820 OE1 GLU A 51 -13.321 -3.758 -5.007 1.00 0.00 O ATOM 821 OE2 GLU A 51 -12.396 -1.769 -5.121 1.00 0.00 O ATOM 0 H GLU A 51 -9.056 -5.783 -3.877 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.346 -3.435 -2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.551 -5.214 -3.186 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.711 -3.634 -2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.253 -2.803 -4.456 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.692 -4.328 -5.200 1.00 0.00 H new ATOM 828 N ASP A 52 -9.332 -4.844 -0.075 1.00 0.00 N ATOM 829 CA ASP A 52 -9.383 -5.616 1.165 1.00 0.00 C ATOM 830 C ASP A 52 -10.665 -6.439 1.234 1.00 0.00 C ATOM 831 O ASP A 52 -11.756 -5.930 0.978 1.00 0.00 O ATOM 832 CB ASP A 52 -9.292 -4.704 2.398 1.00 0.00 C ATOM 833 CG ASP A 52 -9.036 -3.249 2.056 1.00 0.00 C ATOM 834 OD1 ASP A 52 -7.935 -2.943 1.551 1.00 0.00 O ATOM 835 OD2 ASP A 52 -9.937 -2.418 2.292 1.00 0.00 O ATOM 0 H ASP A 52 -8.889 -3.929 0.015 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.523 -6.286 1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.220 -4.778 2.964 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.493 -5.062 3.047 1.00 0.00 H new ATOM 840 N GLY A 53 -10.524 -7.714 1.574 1.00 0.00 N ATOM 841 CA GLY A 53 -11.678 -8.587 1.666 1.00 0.00 C ATOM 842 C GLY A 53 -11.618 -9.724 0.665 1.00 0.00 C ATOM 843 O GLY A 53 -12.102 -10.824 0.935 1.00 0.00 O ATOM 0 H GLY A 53 -9.631 -8.159 1.788 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.742 -8.996 2.674 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.585 -8.006 1.499 1.00 0.00 H new ATOM 847 N ARG A 54 -11.022 -9.459 -0.492 1.00 0.00 N ATOM 848 CA ARG A 54 -10.898 -10.471 -1.536 1.00 0.00 C ATOM 849 C ARG A 54 -9.603 -11.260 -1.373 1.00 0.00 C ATOM 850 O ARG A 54 -8.597 -10.730 -0.900 1.00 0.00 O ATOM 851 CB ARG A 54 -10.945 -9.818 -2.919 1.00 0.00 C ATOM 852 CG ARG A 54 -11.995 -8.725 -3.042 1.00 0.00 C ATOM 853 CD ARG A 54 -13.302 -9.126 -2.377 1.00 0.00 C ATOM 854 NE ARG A 54 -14.410 -9.164 -3.327 1.00 0.00 N ATOM 855 CZ ARG A 54 -14.668 -10.202 -4.117 1.00 0.00 C ATOM 856 NH1 ARG A 54 -13.895 -11.279 -4.072 1.00 0.00 N ATOM 857 NH2 ARG A 54 -15.697 -10.163 -4.952 1.00 0.00 N ATOM 0 H ARG A 54 -10.618 -8.554 -0.731 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.737 -11.161 -1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.966 -9.396 -3.146 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.143 -10.586 -3.667 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.621 -7.808 -2.587 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.174 -8.508 -4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.187 -10.106 -1.914 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.533 -8.421 -1.578 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.020 -8.349 -3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.102 -11.311 -3.431 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.093 -12.075 -4.678 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.292 -9.336 -4.989 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.893 -10.960 -5.557 1.00 0.00 H new ATOM 871 N THR A 55 -9.637 -12.529 -1.764 1.00 0.00 N ATOM 872 CA THR A 55 -8.467 -13.394 -1.658 1.00 0.00 C ATOM 873 C THR A 55 -7.651 -13.374 -2.945 1.00 0.00 C ATOM 874 O THR A 55 -8.178 -13.108 -4.025 1.00 0.00 O ATOM 875 CB THR A 55 -8.894 -14.826 -1.331 1.00 0.00 C ATOM 876 OG1 THR A 55 -9.548 -15.420 -2.437 1.00 0.00 O ATOM 877 CG2 THR A 55 -9.829 -14.914 -0.143 1.00 0.00 C ATOM 0 H THR A 55 -10.462 -12.982 -2.157 1.00 0.00 H new ATOM 0 HA THR A 55 -7.841 -13.015 -0.851 1.00 0.00 H new ATOM 0 HB THR A 55 -7.972 -15.354 -1.088 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.812 -16.336 -2.208 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.093 -15.956 0.035 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.335 -14.509 0.740 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.733 -14.340 -0.348 1.00 0.00 H new ATOM 885 N LEU A 56 -6.358 -13.659 -2.820 1.00 0.00 N ATOM 886 CA LEU A 56 -5.463 -13.676 -3.970 1.00 0.00 C ATOM 887 C LEU A 56 -6.021 -14.555 -5.084 1.00 0.00 C ATOM 888 O LEU A 56 -5.922 -14.217 -6.264 1.00 0.00 O ATOM 889 CB LEU A 56 -4.077 -14.177 -3.555 1.00 0.00 C ATOM 890 CG LEU A 56 -3.419 -13.395 -2.417 1.00 0.00 C ATOM 891 CD1 LEU A 56 -1.943 -13.746 -2.313 1.00 0.00 C ATOM 892 CD2 LEU A 56 -3.599 -11.898 -2.625 1.00 0.00 C ATOM 0 H LEU A 56 -5.907 -13.881 -1.932 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.377 -12.657 -4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.160 -15.222 -3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.421 -14.145 -4.425 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.905 -13.673 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.491 -13.180 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.836 -14.813 -2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.443 -13.497 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.125 -11.357 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.139 -11.604 -3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.662 -11.659 -2.650 1.00 0.00 H new ATOM 904 N SER A 57 -6.607 -15.685 -4.702 1.00 0.00 N ATOM 905 CA SER A 57 -7.182 -16.612 -5.669 1.00 0.00 C ATOM 906 C SER A 57 -8.441 -16.030 -6.301 1.00 0.00 C ATOM 907 O SER A 57 -8.893 -16.491 -7.349 1.00 0.00 O ATOM 908 CB SER A 57 -7.506 -17.948 -4.998 1.00 0.00 C ATOM 909 OG SER A 57 -7.236 -19.035 -5.866 1.00 0.00 O ATOM 0 H SER A 57 -6.696 -15.981 -3.730 1.00 0.00 H new ATOM 0 HA SER A 57 -6.446 -16.777 -6.456 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.918 -18.052 -4.086 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.556 -17.966 -4.704 1.00 0.00 H new ATOM 0 HG SER A 57 -7.450 -19.877 -5.412 1.00 0.00 H new ATOM 915 N ASP A 58 -9.003 -15.011 -5.658 1.00 0.00 N ATOM 916 CA ASP A 58 -10.211 -14.365 -6.157 1.00 0.00 C ATOM 917 C ASP A 58 -9.874 -13.349 -7.246 1.00 0.00 C ATOM 918 O ASP A 58 -10.764 -12.837 -7.927 1.00 0.00 O ATOM 919 CB ASP A 58 -10.957 -13.675 -5.013 1.00 0.00 C ATOM 920 CG ASP A 58 -11.465 -14.659 -3.979 1.00 0.00 C ATOM 921 OD1 ASP A 58 -11.410 -15.879 -4.243 1.00 0.00 O ATOM 922 OD2 ASP A 58 -11.919 -14.211 -2.905 1.00 0.00 O ATOM 0 H ASP A 58 -8.641 -14.615 -4.790 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.853 -15.134 -6.587 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.294 -12.956 -4.532 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.797 -13.112 -5.418 1.00 0.00 H new ATOM 927 N TYR A 59 -8.586 -13.065 -7.406 1.00 0.00 N ATOM 928 CA TYR A 59 -8.132 -12.112 -8.412 1.00 0.00 C ATOM 929 C TYR A 59 -7.453 -12.833 -9.573 1.00 0.00 C ATOM 930 O TYR A 59 -8.091 -13.149 -10.577 1.00 0.00 O ATOM 931 CB TYR A 59 -7.166 -11.101 -7.788 1.00 0.00 C ATOM 932 CG TYR A 59 -7.857 -10.004 -7.007 1.00 0.00 C ATOM 933 CD1 TYR A 59 -8.702 -9.097 -7.643 1.00 0.00 C ATOM 934 CD2 TYR A 59 -7.664 -9.875 -5.633 1.00 0.00 C ATOM 935 CE1 TYR A 59 -9.336 -8.091 -6.932 1.00 0.00 C ATOM 936 CE2 TYR A 59 -8.296 -8.872 -4.913 1.00 0.00 C ATOM 937 CZ TYR A 59 -9.130 -7.982 -5.567 1.00 0.00 C ATOM 938 OH TYR A 59 -9.758 -6.986 -4.857 1.00 0.00 O ATOM 0 H TYR A 59 -7.838 -13.481 -6.852 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.003 -11.581 -8.796 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.479 -11.629 -7.127 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.565 -10.650 -8.578 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.865 -9.179 -8.707 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.012 -10.567 -5.121 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.988 -7.395 -7.440 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.138 -8.786 -3.848 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.729 -7.084 -4.944 1.00 0.00 H new ATOM 948 N ASN A 60 -6.157 -13.092 -9.424 1.00 0.00 N ATOM 949 CA ASN A 60 -5.391 -13.779 -10.457 1.00 0.00 C ATOM 950 C ASN A 60 -3.905 -13.796 -10.111 1.00 0.00 C ATOM 951 O ASN A 60 -3.051 -13.680 -10.990 1.00 0.00 O ATOM 952 CB ASN A 60 -5.600 -13.106 -11.816 1.00 0.00 C ATOM 953 CG ASN A 60 -5.220 -11.638 -11.799 1.00 0.00 C ATOM 954 OD1 ASN A 60 -4.807 -11.104 -10.771 1.00 0.00 O ATOM 955 ND2 ASN A 60 -5.358 -10.979 -12.944 1.00 0.00 N ATOM 0 H ASN A 60 -5.616 -12.836 -8.598 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.748 -14.808 -10.511 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.006 -13.623 -12.570 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.645 -13.205 -12.110 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.117 -9.989 -12.995 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.705 -11.463 -13.772 1.00 0.00 H new ATOM 962 N LEU A 61 -3.605 -13.942 -8.825 1.00 0.00 N ATOM 963 CA LEU A 61 -2.222 -13.974 -8.361 1.00 0.00 C ATOM 964 C LEU A 61 -1.599 -15.345 -8.601 1.00 0.00 C ATOM 965 O LEU A 61 -2.014 -16.340 -8.006 1.00 0.00 O ATOM 966 CB LEU A 61 -2.155 -13.621 -6.873 1.00 0.00 C ATOM 967 CG LEU A 61 -2.310 -12.132 -6.551 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.949 -11.465 -6.443 1.00 0.00 C ATOM 969 CD2 LEU A 61 -3.163 -11.443 -7.605 1.00 0.00 C ATOM 0 H LEU A 61 -4.300 -14.040 -8.085 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.656 -13.235 -8.928 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.935 -14.173 -6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.200 -13.965 -6.477 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.814 -12.039 -5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.079 -10.407 -6.214 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.373 -11.940 -5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.417 -11.568 -7.389 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.262 -10.386 -7.359 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.689 -11.546 -8.581 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.151 -11.903 -7.631 1.00 0.00 H new ATOM 981 N GLN A 62 -0.600 -15.391 -9.477 1.00 0.00 N ATOM 982 CA GLN A 62 0.082 -16.641 -9.797 1.00 0.00 C ATOM 983 C GLN A 62 1.357 -16.793 -8.974 1.00 0.00 C ATOM 984 O GLN A 62 1.734 -15.896 -8.222 1.00 0.00 O ATOM 985 CB GLN A 62 0.414 -16.698 -11.289 1.00 0.00 C ATOM 986 CG GLN A 62 -0.638 -16.047 -12.173 1.00 0.00 C ATOM 987 CD GLN A 62 -0.204 -15.950 -13.622 1.00 0.00 C ATOM 988 OE1 GLN A 62 0.013 -14.857 -14.145 1.00 0.00 O ATOM 989 NE2 GLN A 62 -0.077 -17.097 -14.279 1.00 0.00 N ATOM 0 H GLN A 62 -0.244 -14.577 -9.978 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.588 -17.464 -9.549 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.373 -16.207 -11.458 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.532 -17.740 -11.587 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.563 -16.620 -12.112 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.857 -15.048 -11.796 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.267 -17.980 -13.805 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.211 -17.095 -15.258 1.00 0.00 H new ATOM 998 N LYS A 63 2.018 -17.938 -9.124 1.00 0.00 N ATOM 999 CA LYS A 63 3.253 -18.209 -8.395 1.00 0.00 C ATOM 1000 C LYS A 63 4.356 -17.244 -8.816 1.00 0.00 C ATOM 1001 O LYS A 63 4.784 -17.240 -9.971 1.00 0.00 O ATOM 1002 CB LYS A 63 3.702 -19.653 -8.633 1.00 0.00 C ATOM 1003 CG LYS A 63 5.053 -19.980 -8.018 1.00 0.00 C ATOM 1004 CD LYS A 63 6.045 -20.448 -9.070 1.00 0.00 C ATOM 1005 CE LYS A 63 6.835 -21.657 -8.593 1.00 0.00 C ATOM 1006 NZ LYS A 63 7.870 -22.070 -9.580 1.00 0.00 N ATOM 0 H LYS A 63 1.719 -18.692 -9.743 1.00 0.00 H new ATOM 0 HA LYS A 63 3.058 -18.067 -7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.952 -20.330 -8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.746 -19.839 -9.706 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.447 -19.098 -7.512 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.931 -20.755 -7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.513 -20.699 -9.987 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.731 -19.636 -9.311 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.313 -21.425 -7.641 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.153 -22.488 -8.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.386 -22.897 -9.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.412 -22.316 -10.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.536 -21.286 -9.733 1.00 0.00 H new ATOM 1020 N GLU A 64 4.812 -16.427 -7.873 1.00 0.00 N ATOM 1021 CA GLU A 64 5.865 -15.455 -8.147 1.00 0.00 C ATOM 1022 C GLU A 64 5.390 -14.410 -9.151 1.00 0.00 C ATOM 1023 O GLU A 64 5.684 -14.499 -10.342 1.00 0.00 O ATOM 1024 CB GLU A 64 7.113 -16.161 -8.680 1.00 0.00 C ATOM 1025 CG GLU A 64 7.773 -17.079 -7.663 1.00 0.00 C ATOM 1026 CD GLU A 64 9.185 -17.465 -8.056 1.00 0.00 C ATOM 1027 OE1 GLU A 64 10.040 -16.561 -8.167 1.00 0.00 O ATOM 1028 OE2 GLU A 64 9.436 -18.672 -8.255 1.00 0.00 O ATOM 0 H GLU A 64 4.469 -16.418 -6.912 1.00 0.00 H new ATOM 0 HA GLU A 64 6.113 -14.950 -7.213 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.843 -16.743 -9.561 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.835 -15.411 -9.003 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.792 -16.585 -6.692 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.172 -17.981 -7.550 1.00 0.00 H new ATOM 1035 N SER A 65 4.651 -13.420 -8.661 1.00 0.00 N ATOM 1036 CA SER A 65 4.132 -12.358 -9.515 1.00 0.00 C ATOM 1037 C SER A 65 4.629 -10.992 -9.052 1.00 0.00 C ATOM 1038 O SER A 65 5.114 -10.842 -7.931 1.00 0.00 O ATOM 1039 CB SER A 65 2.603 -12.381 -9.521 1.00 0.00 C ATOM 1040 OG SER A 65 2.109 -13.276 -10.502 1.00 0.00 O ATOM 0 H SER A 65 4.398 -13.331 -7.677 1.00 0.00 H new ATOM 0 HA SER A 65 4.496 -12.532 -10.528 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.237 -12.677 -8.538 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.222 -11.378 -9.715 1.00 0.00 H new ATOM 0 HG SER A 65 1.141 -13.157 -10.595 1.00 0.00 H new ATOM 1046 N THR A 66 4.501 -9.998 -9.924 1.00 0.00 N ATOM 1047 CA THR A 66 4.933 -8.642 -9.608 1.00 0.00 C ATOM 1048 C THR A 66 3.736 -7.753 -9.289 1.00 0.00 C ATOM 1049 O THR A 66 2.719 -7.792 -9.982 1.00 0.00 O ATOM 1050 CB THR A 66 5.726 -8.052 -10.775 1.00 0.00 C ATOM 1051 OG1 THR A 66 6.966 -8.720 -10.926 1.00 0.00 O ATOM 1052 CG2 THR A 66 6.015 -6.575 -10.617 1.00 0.00 C ATOM 0 H THR A 66 4.101 -10.106 -10.856 1.00 0.00 H new ATOM 0 HA THR A 66 5.575 -8.686 -8.728 1.00 0.00 H new ATOM 0 HB THR A 66 5.094 -8.189 -11.653 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.458 -8.330 -11.678 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.580 -6.221 -11.479 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.076 -6.026 -10.548 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.597 -6.413 -9.710 1.00 0.00 H new ATOM 1060 N ILE A 67 3.861 -6.955 -8.234 1.00 0.00 N ATOM 1061 CA ILE A 67 2.787 -6.060 -7.823 1.00 0.00 C ATOM 1062 C ILE A 67 3.297 -4.637 -7.627 1.00 0.00 C ATOM 1063 O ILE A 67 4.404 -4.426 -7.133 1.00 0.00 O ATOM 1064 CB ILE A 67 2.126 -6.541 -6.518 1.00 0.00 C ATOM 1065 CG1 ILE A 67 1.420 -7.880 -6.742 1.00 0.00 C ATOM 1066 CG2 ILE A 67 1.146 -5.498 -6.004 1.00 0.00 C ATOM 1067 CD1 ILE A 67 1.553 -8.837 -5.578 1.00 0.00 C ATOM 0 H ILE A 67 4.695 -6.910 -7.649 1.00 0.00 H new ATOM 0 HA ILE A 67 2.047 -6.068 -8.623 1.00 0.00 H new ATOM 0 HB ILE A 67 2.902 -6.682 -5.766 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.362 -7.696 -6.932 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.827 -8.351 -7.637 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.687 -5.853 -5.081 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.676 -4.565 -5.810 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.371 -5.327 -6.752 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.028 -9.764 -5.808 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.607 -9.051 -5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.120 -8.386 -4.685 1.00 0.00 H new ATOM 1079 N HIS A 68 2.478 -3.664 -8.014 1.00 0.00 N ATOM 1080 CA HIS A 68 2.843 -2.258 -7.879 1.00 0.00 C ATOM 1081 C HIS A 68 2.291 -1.678 -6.582 1.00 0.00 C ATOM 1082 O HIS A 68 1.110 -1.335 -6.496 1.00 0.00 O ATOM 1083 CB HIS A 68 2.325 -1.456 -9.075 1.00 0.00 C ATOM 1084 CG HIS A 68 2.922 -1.879 -10.379 1.00 0.00 C ATOM 1085 ND1 HIS A 68 3.061 -1.028 -11.456 1.00 0.00 N ATOM 1086 CD2 HIS A 68 3.421 -3.073 -10.780 1.00 0.00 C ATOM 1087 CE1 HIS A 68 3.618 -1.680 -12.461 1.00 0.00 C ATOM 1088 NE2 HIS A 68 3.846 -2.922 -12.076 1.00 0.00 N ATOM 0 H HIS A 68 1.557 -3.823 -8.423 1.00 0.00 H new ATOM 0 HA HIS A 68 3.931 -2.190 -7.853 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.241 -1.559 -9.130 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.537 -0.399 -8.913 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.474 -3.976 -10.190 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.848 -1.267 -13.432 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.270 -3.652 -12.649 1.00 0.00 H new ATOM 1097 N LEU A 69 3.150 -1.575 -5.574 1.00 0.00 N ATOM 1098 CA LEU A 69 2.748 -1.040 -4.278 1.00 0.00 C ATOM 1099 C LEU A 69 2.780 0.482 -4.281 1.00 0.00 C ATOM 1100 O LEU A 69 3.832 1.094 -4.098 1.00 0.00 O ATOM 1101 CB LEU A 69 3.662 -1.578 -3.175 1.00 0.00 C ATOM 1102 CG LEU A 69 3.310 -1.116 -1.760 1.00 0.00 C ATOM 1103 CD1 LEU A 69 4.022 -1.974 -0.726 1.00 0.00 C ATOM 1104 CD2 LEU A 69 3.665 0.352 -1.577 1.00 0.00 C ATOM 0 H LEU A 69 4.129 -1.855 -5.629 1.00 0.00 H new ATOM 0 HA LEU A 69 1.725 -1.362 -4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.636 -2.667 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.687 -1.278 -3.395 1.00 0.00 H new ATOM 0 HG LEU A 69 2.236 -1.230 -1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.760 -1.631 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.718 -3.014 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.100 -1.893 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.408 0.665 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.734 0.491 -1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.108 0.953 -2.295 1.00 0.00 H new ATOM 1116 N VAL A 70 1.616 1.088 -4.486 1.00 0.00 N ATOM 1117 CA VAL A 70 1.506 2.539 -4.508 1.00 0.00 C ATOM 1118 C VAL A 70 1.033 3.068 -3.160 1.00 0.00 C ATOM 1119 O VAL A 70 0.428 2.340 -2.373 1.00 0.00 O ATOM 1120 CB VAL A 70 0.537 3.017 -5.605 1.00 0.00 C ATOM 1121 CG1 VAL A 70 0.893 4.426 -6.054 1.00 0.00 C ATOM 1122 CG2 VAL A 70 0.545 2.056 -6.783 1.00 0.00 C ATOM 0 H VAL A 70 0.736 0.596 -4.639 1.00 0.00 H new ATOM 0 HA VAL A 70 2.501 2.929 -4.724 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.471 3.036 -5.190 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.198 4.747 -6.830 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.828 5.106 -5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.908 4.436 -6.450 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.146 2.411 -7.547 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.550 2.000 -7.200 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.236 1.066 -6.447 1.00 0.00 H new ATOM 1132 N LEU A 71 1.316 4.338 -2.900 1.00 0.00 N ATOM 1133 CA LEU A 71 0.922 4.968 -1.645 1.00 0.00 C ATOM 1134 C LEU A 71 -0.225 5.949 -1.858 1.00 0.00 C ATOM 1135 O LEU A 71 -0.025 7.164 -1.849 1.00 0.00 O ATOM 1136 CB LEU A 71 2.117 5.692 -1.021 1.00 0.00 C ATOM 1137 CG LEU A 71 3.240 4.779 -0.524 1.00 0.00 C ATOM 1138 CD1 LEU A 71 2.662 3.563 0.183 1.00 0.00 C ATOM 1139 CD2 LEU A 71 4.132 4.355 -1.681 1.00 0.00 C ATOM 0 H LEU A 71 1.817 4.953 -3.541 1.00 0.00 H new ATOM 0 HA LEU A 71 0.581 4.185 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.529 6.382 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.762 6.294 -0.184 1.00 0.00 H new ATOM 0 HG LEU A 71 3.848 5.334 0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.474 2.924 0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.065 3.887 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.032 3.005 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.925 3.706 -1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.538 3.816 -2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.572 5.238 -2.144 1.00 0.00 H new ATOM 1151 N ARG A 72 -1.429 5.415 -2.047 1.00 0.00 N ATOM 1152 CA ARG A 72 -2.610 6.244 -2.261 1.00 0.00 C ATOM 1153 C ARG A 72 -2.261 7.493 -3.064 1.00 0.00 C ATOM 1154 O ARG A 72 -1.971 8.547 -2.497 1.00 0.00 O ATOM 1155 CB ARG A 72 -3.225 6.643 -0.918 1.00 0.00 C ATOM 1156 CG ARG A 72 -4.744 6.592 -0.904 1.00 0.00 C ATOM 1157 CD ARG A 72 -5.315 7.343 0.288 1.00 0.00 C ATOM 1158 NE ARG A 72 -6.685 6.936 0.587 1.00 0.00 N ATOM 1159 CZ ARG A 72 -7.727 7.244 -0.178 1.00 0.00 C ATOM 1160 NH1 ARG A 72 -7.554 7.958 -1.281 1.00 0.00 N ATOM 1161 NH2 ARG A 72 -8.944 6.840 0.162 1.00 0.00 N ATOM 0 H ARG A 72 -1.612 4.412 -2.056 1.00 0.00 H new ATOM 0 HA ARG A 72 -3.335 5.661 -2.829 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.841 5.982 -0.141 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.902 7.653 -0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.132 7.023 -1.827 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.074 5.554 -0.873 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.686 7.168 1.161 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.291 8.414 0.087 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.851 6.385 1.429 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.620 8.272 -1.544 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.355 8.193 -1.867 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.081 6.292 1.012 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.743 7.077 -0.426 1.00 0.00 H new ATOM 1175 N LEU A 73 -2.292 7.369 -4.387 1.00 0.00 N ATOM 1176 CA LEU A 73 -1.978 8.489 -5.265 1.00 0.00 C ATOM 1177 C LEU A 73 -2.975 9.628 -5.073 1.00 0.00 C ATOM 1178 O LEU A 73 -3.919 9.513 -4.291 1.00 0.00 O ATOM 1179 CB LEU A 73 -1.977 8.035 -6.726 1.00 0.00 C ATOM 1180 CG LEU A 73 -0.922 6.984 -7.075 1.00 0.00 C ATOM 1181 CD1 LEU A 73 -0.992 6.625 -8.552 1.00 0.00 C ATOM 1182 CD2 LEU A 73 0.468 7.484 -6.711 1.00 0.00 C ATOM 0 H LEU A 73 -2.531 6.505 -4.874 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.984 8.854 -5.006 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.961 7.634 -6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.824 8.907 -7.362 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.127 6.085 -6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.234 5.876 -8.781 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.979 6.224 -8.783 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.813 7.517 -9.152 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.206 6.724 -6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.682 8.398 -7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.512 7.689 -5.641 1.00 0.00 H new ATOM 1194 N ARG A 74 -2.756 10.726 -5.786 1.00 0.00 N ATOM 1195 CA ARG A 74 -3.631 11.889 -5.691 1.00 0.00 C ATOM 1196 C ARG A 74 -4.841 11.740 -6.609 1.00 0.00 C ATOM 1197 O ARG A 74 -5.944 12.171 -6.273 1.00 0.00 O ATOM 1198 CB ARG A 74 -2.862 13.163 -6.044 1.00 0.00 C ATOM 1199 CG ARG A 74 -1.929 13.001 -7.232 1.00 0.00 C ATOM 1200 CD ARG A 74 -2.005 14.195 -8.168 1.00 0.00 C ATOM 1201 NE ARG A 74 -3.148 14.109 -9.074 1.00 0.00 N ATOM 1202 CZ ARG A 74 -3.658 15.154 -9.717 1.00 0.00 C ATOM 1203 NH1 ARG A 74 -3.129 16.359 -9.553 1.00 0.00 N ATOM 1204 NH2 ARG A 74 -4.698 14.995 -10.524 1.00 0.00 N ATOM 0 H ARG A 74 -1.979 10.836 -6.437 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.986 11.960 -4.663 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.574 13.960 -6.258 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.281 13.479 -5.177 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.905 12.880 -6.878 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.187 12.093 -7.777 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.075 15.111 -7.582 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.085 14.259 -8.750 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.578 13.196 -9.221 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.329 16.485 -8.932 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.522 17.160 -10.047 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.108 14.070 -10.652 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.088 15.798 -11.017 1.00 0.00 H new ATOM 1218 N GLY A 75 -4.628 11.131 -7.770 1.00 0.00 N ATOM 1219 CA GLY A 75 -5.712 10.941 -8.716 1.00 0.00 C ATOM 1220 C GLY A 75 -5.624 9.613 -9.444 1.00 0.00 C ATOM 1221 O GLY A 75 -4.826 8.749 -9.081 1.00 0.00 O ATOM 0 H GLY A 75 -3.725 10.766 -8.073 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.664 11.000 -8.189 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.700 11.752 -9.444 1.00 0.00 H new ATOM 1225 N GLY A 76 -6.449 9.452 -10.474 1.00 0.00 N ATOM 1226 CA GLY A 76 -6.448 8.219 -11.240 1.00 0.00 C ATOM 1227 C GLY A 76 -5.522 8.283 -12.438 1.00 0.00 C ATOM 1228 O GLY A 76 -4.795 9.288 -12.573 1.00 0.00 O ATOM 1229 OXT GLY A 76 -5.525 7.326 -13.241 1.00 0.00 O ATOM 0 H GLY A 76 -7.118 10.153 -10.792 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.146 7.394 -10.595 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.462 8.004 -11.579 1.00 0.00 H new TER 1233 GLY A 76