USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -129:sc= 1.07 (180deg=-1.68) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.311! USER MOD Single : A 5 ASN : amide:sc= -2.47 K(o=-2.5,f=-3!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN :FLIP amide:sc= -1.55 F(o=-4.9!,f=-1.5) USER MOD Single : A 30 CYS SG : rot -71:sc= 0.414 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -6.3! C(o=-6.3!,f=-9.3!) USER MOD Single : A 45 HIS : no HE2:sc= -0.364 K(o=-0.36,f=-1.1) USER MOD Single : A 48 CYS SG : rot 180:sc= -0.0405 USER MOD Single : A 50 THR OG1 : rot 25:sc= 0.862 USER MOD Single : A 51 CYS SG : rot 180:sc= -0.0103 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.141 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.422 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -4.1! C(o=-6!,f=-4.1!) USER MOD Single : A 78 GLN :FLIP amide:sc= -2.04 F(o=-4.2!,f=-2) USER MOD Single : A 83 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-2.5) USER MOD Single : A 84 HIS : no HD1:sc= -0.0686 X(o=-0.069,f=-0.4) USER MOD Single : A 85 HIS : no HD1:sc=-0.00564 X(o=-0.0056,f=-0.053) USER MOD Single : A 86 HIS : no HD1:sc= -0.592 X(o=-0.59,f=-0.92) USER MOD Single : A 87 HIS : no HD1:sc= -0.909 K(o=-0.91,f=-2.2!) USER MOD Single : A 88 HIS : no HD1:sc= -0.921 X(o=-0.92,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.625 -31.114 -5.075 1.00 0.00 N ATOM 2 CA MET A 1 3.764 -30.327 -4.145 1.00 0.00 C ATOM 3 C MET A 1 4.642 -29.403 -3.302 1.00 0.00 C ATOM 4 O MET A 1 4.924 -29.690 -2.137 1.00 0.00 O ATOM 5 CB MET A 1 2.985 -31.286 -3.234 1.00 0.00 C ATOM 6 CG MET A 1 2.258 -32.333 -4.083 1.00 0.00 C ATOM 7 SD MET A 1 3.336 -33.768 -4.325 1.00 0.00 S ATOM 8 CE MET A 1 2.885 -34.657 -2.813 1.00 0.00 C ATOM 0 H1 MET A 1 4.255 -31.032 -6.044 1.00 0.00 H new ATOM 0 H2 MET A 1 5.597 -30.746 -5.043 1.00 0.00 H new ATOM 0 H3 MET A 1 4.623 -32.113 -4.787 1.00 0.00 H new ATOM 0 HA MET A 1 3.057 -29.726 -4.717 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.667 -31.777 -2.540 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.266 -30.728 -2.634 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.334 -32.638 -3.591 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.981 -31.906 -5.047 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.444 -35.591 -2.759 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.122 -34.042 -1.945 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.817 -34.874 -2.823 1.00 0.00 H new ATOM 20 N PRO A 2 5.077 -28.303 -3.867 1.00 0.00 N ATOM 21 CA PRO A 2 5.938 -27.317 -3.158 1.00 0.00 C ATOM 22 C PRO A 2 5.142 -26.482 -2.159 1.00 0.00 C ATOM 23 O PRO A 2 3.976 -26.771 -1.884 1.00 0.00 O ATOM 24 CB PRO A 2 6.516 -26.433 -4.278 1.00 0.00 C ATOM 25 CG PRO A 2 5.969 -26.956 -5.575 1.00 0.00 C ATOM 26 CD PRO A 2 4.795 -27.876 -5.240 1.00 0.00 C ATOM 0 HA PRO A 2 6.713 -27.808 -2.570 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.232 -25.391 -4.132 1.00 0.00 H new ATOM 0 HB3 PRO A 2 7.605 -26.470 -4.276 1.00 0.00 H new ATOM 0 HG2 PRO A 2 5.643 -26.134 -6.213 1.00 0.00 H new ATOM 0 HG3 PRO A 2 6.738 -27.500 -6.124 1.00 0.00 H new ATOM 0 HD2 PRO A 2 3.842 -27.352 -5.310 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.743 -28.725 -5.922 1.00 0.00 H new ATOM 34 N THR A 3 5.781 -25.447 -1.619 1.00 0.00 N ATOM 35 CA THR A 3 5.127 -24.570 -0.652 1.00 0.00 C ATOM 36 C THR A 3 4.015 -23.773 -1.320 1.00 0.00 C ATOM 37 O THR A 3 2.969 -24.315 -1.678 1.00 0.00 O ATOM 38 CB THR A 3 6.150 -23.596 -0.050 1.00 0.00 C ATOM 39 OG1 THR A 3 6.735 -22.822 -1.087 1.00 0.00 O ATOM 40 CG2 THR A 3 7.242 -24.370 0.673 1.00 0.00 C ATOM 0 H THR A 3 6.746 -25.196 -1.833 1.00 0.00 H new ATOM 0 HA THR A 3 4.700 -25.190 0.137 1.00 0.00 H new ATOM 0 HB THR A 3 5.643 -22.941 0.658 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.387 -22.199 -0.702 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.963 -23.671 1.097 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.799 -24.964 1.472 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.747 -25.030 -0.032 1.00 0.00 H new ATOM 48 N GLU A 4 4.264 -22.479 -1.485 1.00 0.00 N ATOM 49 CA GLU A 4 3.311 -21.580 -2.108 1.00 0.00 C ATOM 50 C GLU A 4 2.026 -21.479 -1.288 1.00 0.00 C ATOM 51 O GLU A 4 1.058 -20.847 -1.715 1.00 0.00 O ATOM 52 CB GLU A 4 2.985 -22.053 -3.530 1.00 0.00 C ATOM 53 CG GLU A 4 2.814 -20.836 -4.448 1.00 0.00 C ATOM 54 CD GLU A 4 4.172 -20.351 -4.964 1.00 0.00 C ATOM 55 OE1 GLU A 4 5.186 -20.784 -4.437 1.00 0.00 O ATOM 56 OE2 GLU A 4 4.177 -19.546 -5.882 1.00 0.00 O ATOM 0 H GLU A 4 5.130 -22.029 -1.190 1.00 0.00 H new ATOM 0 HA GLU A 4 3.766 -20.591 -2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.784 -22.694 -3.903 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.073 -22.650 -3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.172 -21.096 -5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.318 -20.032 -3.905 1.00 0.00 H new ATOM 63 N ASN A 5 2.023 -22.095 -0.108 1.00 0.00 N ATOM 64 CA ASN A 5 0.851 -22.053 0.758 1.00 0.00 C ATOM 65 C ASN A 5 0.576 -20.612 1.191 1.00 0.00 C ATOM 66 O ASN A 5 -0.557 -20.137 1.095 1.00 0.00 O ATOM 67 CB ASN A 5 1.060 -22.976 1.974 1.00 0.00 C ATOM 68 CG ASN A 5 0.900 -22.213 3.290 1.00 0.00 C ATOM 69 OD1 ASN A 5 -0.173 -21.680 3.576 1.00 0.00 O ATOM 70 ND2 ASN A 5 1.909 -22.136 4.114 1.00 0.00 N ATOM 0 H ASN A 5 2.811 -22.624 0.266 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.020 -22.413 0.210 1.00 0.00 H new ATOM 0 HB2 ASN A 5 0.342 -23.796 1.938 1.00 0.00 H new ATOM 0 HB3 ASN A 5 2.054 -23.420 1.928 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.810 -21.634 4.996 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.797 -22.578 3.876 1.00 0.00 H new ATOM 77 N PRO A 6 1.585 -19.902 1.640 1.00 0.00 N ATOM 78 CA PRO A 6 1.444 -18.485 2.066 1.00 0.00 C ATOM 79 C PRO A 6 1.422 -17.552 0.856 1.00 0.00 C ATOM 80 O PRO A 6 2.470 -17.155 0.344 1.00 0.00 O ATOM 81 CB PRO A 6 2.685 -18.224 2.939 1.00 0.00 C ATOM 82 CG PRO A 6 3.474 -19.502 2.958 1.00 0.00 C ATOM 83 CD PRO A 6 2.966 -20.360 1.803 1.00 0.00 C ATOM 0 HA PRO A 6 0.513 -18.303 2.603 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.281 -17.407 2.531 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.394 -17.933 3.948 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.539 -19.299 2.847 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.345 -20.020 3.908 1.00 0.00 H new ATOM 0 HD2 PRO A 6 3.552 -20.207 0.897 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.014 -21.423 2.038 1.00 0.00 H new ATOM 91 N THR A 7 0.220 -17.217 0.397 1.00 0.00 N ATOM 92 CA THR A 7 0.067 -16.341 -0.762 1.00 0.00 C ATOM 93 C THR A 7 0.395 -14.897 -0.395 1.00 0.00 C ATOM 94 O THR A 7 0.804 -14.610 0.729 1.00 0.00 O ATOM 95 CB THR A 7 -1.369 -16.420 -1.291 1.00 0.00 C ATOM 96 OG1 THR A 7 -2.246 -15.767 -0.382 1.00 0.00 O ATOM 97 CG2 THR A 7 -1.784 -17.886 -1.441 1.00 0.00 C ATOM 0 H THR A 7 -0.658 -17.536 0.806 1.00 0.00 H new ATOM 0 HA THR A 7 0.760 -16.673 -1.535 1.00 0.00 H new ATOM 0 HB THR A 7 -1.423 -15.930 -2.263 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.164 -15.816 -0.721 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.806 -17.938 -1.817 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.113 -18.384 -2.141 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.729 -18.381 -0.471 1.00 0.00 H new ATOM 105 N MET A 8 0.204 -13.993 -1.353 1.00 0.00 N ATOM 106 CA MET A 8 0.473 -12.579 -1.121 1.00 0.00 C ATOM 107 C MET A 8 -0.226 -12.115 0.153 1.00 0.00 C ATOM 108 O MET A 8 0.390 -11.487 1.013 1.00 0.00 O ATOM 109 CB MET A 8 -0.016 -11.745 -2.310 1.00 0.00 C ATOM 110 CG MET A 8 0.945 -11.915 -3.491 1.00 0.00 C ATOM 111 SD MET A 8 0.682 -13.535 -4.257 1.00 0.00 S ATOM 112 CE MET A 8 2.333 -14.211 -3.945 1.00 0.00 C ATOM 0 H MET A 8 -0.133 -14.213 -2.290 1.00 0.00 H new ATOM 0 HA MET A 8 1.549 -12.443 -1.009 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.020 -12.058 -2.598 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.078 -10.694 -2.028 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.782 -11.124 -4.223 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.976 -11.825 -3.150 1.00 0.00 H new ATOM 0 HE1 MET A 8 2.393 -15.224 -4.343 1.00 0.00 H new ATOM 0 HE2 MET A 8 3.081 -13.585 -4.432 1.00 0.00 H new ATOM 0 HE3 MET A 8 2.521 -14.232 -2.871 1.00 0.00 H new ATOM 122 N PHE A 9 -1.512 -12.445 0.264 1.00 0.00 N ATOM 123 CA PHE A 9 -2.306 -12.077 1.435 1.00 0.00 C ATOM 124 C PHE A 9 -1.489 -12.241 2.716 1.00 0.00 C ATOM 125 O PHE A 9 -1.541 -11.399 3.612 1.00 0.00 O ATOM 126 CB PHE A 9 -3.555 -12.962 1.506 1.00 0.00 C ATOM 127 CG PHE A 9 -4.642 -12.258 2.283 1.00 0.00 C ATOM 128 CD1 PHE A 9 -5.531 -11.404 1.622 1.00 0.00 C ATOM 129 CD2 PHE A 9 -4.763 -12.462 3.664 1.00 0.00 C ATOM 130 CE1 PHE A 9 -6.542 -10.753 2.338 1.00 0.00 C ATOM 131 CE2 PHE A 9 -5.773 -11.812 4.381 1.00 0.00 C ATOM 132 CZ PHE A 9 -6.663 -10.956 3.718 1.00 0.00 C ATOM 0 H PHE A 9 -2.027 -12.968 -0.445 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.599 -11.031 1.342 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.906 -13.192 0.500 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.312 -13.911 1.983 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.437 -11.247 0.558 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.077 -13.121 4.175 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.228 -10.095 1.826 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.867 -11.970 5.445 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.442 -10.453 4.272 1.00 0.00 H new ATOM 142 N ASP A 10 -0.736 -13.333 2.788 1.00 0.00 N ATOM 143 CA ASP A 10 0.096 -13.609 3.954 1.00 0.00 C ATOM 144 C ASP A 10 1.152 -12.520 4.149 1.00 0.00 C ATOM 145 O ASP A 10 1.219 -11.891 5.204 1.00 0.00 O ATOM 146 CB ASP A 10 0.779 -14.971 3.800 1.00 0.00 C ATOM 147 CG ASP A 10 1.645 -15.265 5.022 1.00 0.00 C ATOM 148 OD1 ASP A 10 1.096 -15.334 6.110 1.00 0.00 O ATOM 149 OD2 ASP A 10 2.844 -15.415 4.852 1.00 0.00 O ATOM 0 H ASP A 10 -0.684 -14.040 2.055 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.548 -13.623 4.833 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.028 -15.752 3.681 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.393 -14.979 2.899 1.00 0.00 H new ATOM 154 N GLN A 11 1.987 -12.318 3.128 1.00 0.00 N ATOM 155 CA GLN A 11 3.057 -11.319 3.195 1.00 0.00 C ATOM 156 C GLN A 11 2.502 -9.922 3.396 1.00 0.00 C ATOM 157 O GLN A 11 2.815 -9.263 4.383 1.00 0.00 O ATOM 158 CB GLN A 11 3.896 -11.341 1.908 1.00 0.00 C ATOM 159 CG GLN A 11 5.214 -12.076 2.168 1.00 0.00 C ATOM 160 CD GLN A 11 4.920 -13.411 2.832 1.00 0.00 C ATOM 161 OE1 GLN A 11 3.805 -14.021 2.547 1.00 0.00 O flip ATOM 162 NE2 GLN A 11 5.717 -13.906 3.628 1.00 0.00 N flip ATOM 0 H GLN A 11 1.944 -12.831 2.247 1.00 0.00 H new ATOM 0 HA GLN A 11 3.683 -11.575 4.050 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.343 -11.836 1.110 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.095 -10.323 1.574 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.748 -12.232 1.231 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.860 -11.473 2.806 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.588 -13.422 3.846 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.507 -14.801 4.070 1.00 0.00 H new ATOM 171 N VAL A 12 1.691 -9.472 2.450 1.00 0.00 N ATOM 172 CA VAL A 12 1.117 -8.139 2.521 1.00 0.00 C ATOM 173 C VAL A 12 0.573 -7.861 3.907 1.00 0.00 C ATOM 174 O VAL A 12 1.032 -6.948 4.588 1.00 0.00 O ATOM 175 CB VAL A 12 0.010 -7.997 1.476 1.00 0.00 C ATOM 176 CG1 VAL A 12 0.565 -8.431 0.136 1.00 0.00 C ATOM 177 CG2 VAL A 12 -1.186 -8.892 1.818 1.00 0.00 C ATOM 0 H VAL A 12 1.417 -10.009 1.627 1.00 0.00 H new ATOM 0 HA VAL A 12 1.900 -7.410 2.313 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.324 -6.960 1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.209 -8.338 -0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.413 -7.799 -0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.891 -9.469 0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.959 -8.772 1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.865 -9.933 1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.586 -8.608 2.791 1.00 0.00 H new ATOM 187 N ALA A 13 -0.398 -8.652 4.328 1.00 0.00 N ATOM 188 CA ALA A 13 -0.972 -8.462 5.635 1.00 0.00 C ATOM 189 C ALA A 13 0.128 -8.426 6.693 1.00 0.00 C ATOM 190 O ALA A 13 0.103 -7.608 7.610 1.00 0.00 O ATOM 191 CB ALA A 13 -1.963 -9.585 5.950 1.00 0.00 C ATOM 0 H ALA A 13 -0.797 -9.420 3.788 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.505 -7.511 5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.388 -9.427 6.941 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.762 -9.584 5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.446 -10.544 5.925 1.00 0.00 H new ATOM 197 N GLU A 14 1.092 -9.336 6.549 1.00 0.00 N ATOM 198 CA GLU A 14 2.208 -9.428 7.491 1.00 0.00 C ATOM 199 C GLU A 14 3.085 -8.176 7.469 1.00 0.00 C ATOM 200 O GLU A 14 3.234 -7.496 8.485 1.00 0.00 O ATOM 201 CB GLU A 14 3.065 -10.659 7.173 1.00 0.00 C ATOM 202 CG GLU A 14 4.062 -10.909 8.312 1.00 0.00 C ATOM 203 CD GLU A 14 5.227 -9.923 8.227 1.00 0.00 C ATOM 204 OE1 GLU A 14 5.892 -9.907 7.204 1.00 0.00 O ATOM 205 OE2 GLU A 14 5.436 -9.199 9.186 1.00 0.00 O ATOM 0 H GLU A 14 1.123 -10.018 5.791 1.00 0.00 H new ATOM 0 HA GLU A 14 1.781 -9.519 8.490 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.427 -11.532 7.038 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.601 -10.508 6.236 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.559 -10.805 9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.437 -11.931 8.257 1.00 0.00 H new ATOM 212 N VAL A 15 3.688 -7.902 6.314 1.00 0.00 N ATOM 213 CA VAL A 15 4.584 -6.757 6.175 1.00 0.00 C ATOM 214 C VAL A 15 3.858 -5.438 6.434 1.00 0.00 C ATOM 215 O VAL A 15 4.375 -4.574 7.142 1.00 0.00 O ATOM 216 CB VAL A 15 5.233 -6.751 4.782 1.00 0.00 C ATOM 217 CG1 VAL A 15 6.266 -7.882 4.700 1.00 0.00 C ATOM 218 CG2 VAL A 15 4.170 -6.961 3.695 1.00 0.00 C ATOM 0 H VAL A 15 3.573 -8.455 5.464 1.00 0.00 H new ATOM 0 HA VAL A 15 5.366 -6.855 6.928 1.00 0.00 H new ATOM 0 HB VAL A 15 5.717 -5.788 4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.729 -7.881 3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.032 -7.731 5.460 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.772 -8.839 4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.646 -6.954 2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.674 -7.919 3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.434 -6.159 3.746 1.00 0.00 H new ATOM 228 N ILE A 16 2.663 -5.283 5.868 1.00 0.00 N ATOM 229 CA ILE A 16 1.897 -4.055 6.068 1.00 0.00 C ATOM 230 C ILE A 16 1.703 -3.788 7.557 1.00 0.00 C ATOM 231 O ILE A 16 2.009 -2.704 8.041 1.00 0.00 O ATOM 232 CB ILE A 16 0.535 -4.152 5.372 1.00 0.00 C ATOM 233 CG1 ILE A 16 0.744 -4.201 3.854 1.00 0.00 C ATOM 234 CG2 ILE A 16 -0.314 -2.924 5.728 1.00 0.00 C ATOM 235 CD1 ILE A 16 -0.472 -4.846 3.191 1.00 0.00 C ATOM 0 H ILE A 16 2.210 -5.980 5.277 1.00 0.00 H new ATOM 0 HA ILE A 16 2.455 -3.227 5.630 1.00 0.00 H new ATOM 0 HB ILE A 16 0.022 -5.055 5.702 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.892 -3.194 3.464 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.644 -4.769 3.619 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.282 -2.995 5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.461 -2.884 6.807 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.198 -2.020 5.398 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.323 -4.880 2.112 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.600 -5.859 3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.363 -4.259 3.415 1.00 0.00 H new ATOM 247 N GLU A 17 1.193 -4.787 8.276 1.00 0.00 N ATOM 248 CA GLU A 17 0.964 -4.651 9.714 1.00 0.00 C ATOM 249 C GLU A 17 2.249 -4.240 10.432 1.00 0.00 C ATOM 250 O GLU A 17 2.217 -3.456 11.381 1.00 0.00 O ATOM 251 CB GLU A 17 0.452 -5.973 10.291 1.00 0.00 C ATOM 252 CG GLU A 17 -1.028 -6.149 9.935 1.00 0.00 C ATOM 253 CD GLU A 17 -1.475 -7.578 10.234 1.00 0.00 C ATOM 254 OE1 GLU A 17 -1.295 -8.012 11.360 1.00 0.00 O ATOM 255 OE2 GLU A 17 -1.993 -8.218 9.333 1.00 0.00 O ATOM 0 H GLU A 17 0.932 -5.694 7.890 1.00 0.00 H new ATOM 0 HA GLU A 17 0.215 -3.874 9.868 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.034 -6.805 9.893 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.580 -5.983 11.373 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.633 -5.444 10.505 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.185 -5.924 8.880 1.00 0.00 H new ATOM 262 N ARG A 18 3.378 -4.775 9.974 1.00 0.00 N ATOM 263 CA ARG A 18 4.670 -4.458 10.577 1.00 0.00 C ATOM 264 C ARG A 18 5.033 -2.995 10.331 1.00 0.00 C ATOM 265 O ARG A 18 5.354 -2.258 11.264 1.00 0.00 O ATOM 266 CB ARG A 18 5.756 -5.365 9.989 1.00 0.00 C ATOM 267 CG ARG A 18 7.059 -5.191 10.777 1.00 0.00 C ATOM 268 CD ARG A 18 7.759 -6.545 10.914 1.00 0.00 C ATOM 269 NE ARG A 18 9.191 -6.356 11.131 1.00 0.00 N ATOM 270 CZ ARG A 18 10.000 -7.391 11.346 1.00 0.00 C ATOM 271 NH1 ARG A 18 9.506 -8.553 11.676 1.00 0.00 N ATOM 272 NH2 ARG A 18 11.291 -7.244 11.226 1.00 0.00 N ATOM 0 H ARG A 18 3.425 -5.427 9.191 1.00 0.00 H new ATOM 0 HA ARG A 18 4.601 -4.625 11.652 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.434 -6.406 10.027 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.919 -5.120 8.940 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.712 -4.482 10.268 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.847 -4.778 11.763 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.329 -7.102 11.746 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.596 -7.139 10.015 1.00 0.00 H new ATOM 0 HE ARG A 18 9.579 -5.413 11.118 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.497 -8.670 11.770 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.129 -9.344 11.840 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.679 -6.337 10.968 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.912 -8.036 11.390 1.00 0.00 H new ATOM 286 N LEU A 19 4.983 -2.592 9.065 1.00 0.00 N ATOM 287 CA LEU A 19 5.308 -1.222 8.674 1.00 0.00 C ATOM 288 C LEU A 19 4.172 -0.263 9.032 1.00 0.00 C ATOM 289 O LEU A 19 4.381 0.945 9.122 1.00 0.00 O ATOM 290 CB LEU A 19 5.587 -1.167 7.168 1.00 0.00 C ATOM 291 CG LEU A 19 7.053 -1.537 6.900 1.00 0.00 C ATOM 292 CD1 LEU A 19 7.356 -2.919 7.486 1.00 0.00 C ATOM 293 CD2 LEU A 19 7.308 -1.562 5.389 1.00 0.00 C ATOM 0 H LEU A 19 4.719 -3.198 8.288 1.00 0.00 H new ATOM 0 HA LEU A 19 6.198 -0.910 9.221 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.926 -1.855 6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.378 -0.168 6.786 1.00 0.00 H new ATOM 0 HG LEU A 19 7.699 -0.795 7.369 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.398 -3.176 7.293 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.179 -2.905 8.562 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.707 -3.661 7.022 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.349 -1.825 5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.657 -2.301 4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.100 -0.578 4.969 1.00 0.00 H new ATOM 305 N ARG A 20 2.972 -0.816 9.211 1.00 0.00 N ATOM 306 CA ARG A 20 1.784 -0.024 9.542 1.00 0.00 C ATOM 307 C ARG A 20 2.131 1.183 10.419 1.00 0.00 C ATOM 308 O ARG A 20 1.874 2.320 10.028 1.00 0.00 O ATOM 309 CB ARG A 20 0.749 -0.906 10.253 1.00 0.00 C ATOM 310 CG ARG A 20 -0.355 -0.031 10.865 1.00 0.00 C ATOM 311 CD ARG A 20 -1.559 -0.903 11.234 1.00 0.00 C ATOM 312 NE ARG A 20 -2.073 -1.587 10.052 1.00 0.00 N ATOM 313 CZ ARG A 20 -2.593 -0.909 9.033 1.00 0.00 C ATOM 314 NH1 ARG A 20 -1.809 -0.409 8.116 1.00 0.00 N ATOM 315 NH2 ARG A 20 -3.884 -0.744 8.950 1.00 0.00 N ATOM 0 H ARG A 20 2.795 -1.817 9.132 1.00 0.00 H new ATOM 0 HA ARG A 20 1.366 0.353 8.609 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.314 -1.613 9.546 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.234 -1.493 11.033 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.022 0.480 11.751 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.656 0.740 10.156 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.269 -1.635 11.988 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.342 -0.286 11.674 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.033 -2.605 10.006 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.799 -0.539 8.182 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.206 0.111 7.334 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.495 -1.135 9.667 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.282 -0.224 8.168 1.00 0.00 H new ATOM 329 N PRO A 21 2.704 0.967 11.584 1.00 0.00 N ATOM 330 CA PRO A 21 3.081 2.072 12.511 1.00 0.00 C ATOM 331 C PRO A 21 3.714 3.248 11.770 1.00 0.00 C ATOM 332 O PRO A 21 3.506 4.406 12.132 1.00 0.00 O ATOM 333 CB PRO A 21 4.083 1.429 13.485 1.00 0.00 C ATOM 334 CG PRO A 21 4.230 -0.006 13.071 1.00 0.00 C ATOM 335 CD PRO A 21 3.056 -0.335 12.152 1.00 0.00 C ATOM 0 HA PRO A 21 2.211 2.489 13.018 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.044 1.943 13.447 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.724 1.500 14.512 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.177 -0.162 12.555 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.230 -0.660 13.943 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.338 -1.049 11.378 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.223 -0.773 12.703 1.00 0.00 H new ATOM 343 N PHE A 22 4.475 2.939 10.723 1.00 0.00 N ATOM 344 CA PHE A 22 5.125 3.971 9.924 1.00 0.00 C ATOM 345 C PHE A 22 4.116 4.621 8.979 1.00 0.00 C ATOM 346 O PHE A 22 3.994 5.849 8.931 1.00 0.00 O ATOM 347 CB PHE A 22 6.269 3.357 9.113 1.00 0.00 C ATOM 348 CG PHE A 22 7.212 4.449 8.662 1.00 0.00 C ATOM 349 CD1 PHE A 22 6.881 5.245 7.559 1.00 0.00 C ATOM 350 CD2 PHE A 22 8.416 4.662 9.345 1.00 0.00 C ATOM 351 CE1 PHE A 22 7.753 6.256 7.139 1.00 0.00 C ATOM 352 CE2 PHE A 22 9.288 5.674 8.924 1.00 0.00 C ATOM 353 CZ PHE A 22 8.957 6.470 7.820 1.00 0.00 C ATOM 0 H PHE A 22 4.656 1.985 10.410 1.00 0.00 H new ATOM 0 HA PHE A 22 5.525 4.733 10.593 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.805 2.626 9.718 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.871 2.826 8.248 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.953 5.079 7.032 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.672 4.047 10.195 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.497 6.871 6.289 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.216 5.841 9.451 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.631 7.249 7.494 1.00 0.00 H new ATOM 363 N LEU A 23 3.385 3.790 8.237 1.00 0.00 N ATOM 364 CA LEU A 23 2.380 4.298 7.309 1.00 0.00 C ATOM 365 C LEU A 23 1.356 5.126 8.070 1.00 0.00 C ATOM 366 O LEU A 23 0.989 6.216 7.648 1.00 0.00 O ATOM 367 CB LEU A 23 1.664 3.139 6.598 1.00 0.00 C ATOM 368 CG LEU A 23 2.467 2.688 5.367 1.00 0.00 C ATOM 369 CD1 LEU A 23 2.454 3.792 4.302 1.00 0.00 C ATOM 370 CD2 LEU A 23 3.914 2.386 5.771 1.00 0.00 C ATOM 0 H LEU A 23 3.469 2.774 8.260 1.00 0.00 H new ATOM 0 HA LEU A 23 2.879 4.916 6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.540 2.303 7.286 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.665 3.452 6.294 1.00 0.00 H new ATOM 0 HG LEU A 23 2.010 1.787 4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.025 3.466 3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.426 3.998 4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.902 4.698 4.711 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.478 2.067 4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.370 3.284 6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.925 1.592 6.518 1.00 0.00 H new ATOM 382 N LEU A 24 0.907 4.594 9.200 1.00 0.00 N ATOM 383 CA LEU A 24 -0.079 5.279 10.029 1.00 0.00 C ATOM 384 C LEU A 24 0.385 6.690 10.373 1.00 0.00 C ATOM 385 O LEU A 24 -0.400 7.639 10.326 1.00 0.00 O ATOM 386 CB LEU A 24 -0.307 4.485 11.320 1.00 0.00 C ATOM 387 CG LEU A 24 -1.800 4.460 11.661 1.00 0.00 C ATOM 388 CD1 LEU A 24 -2.030 3.547 12.867 1.00 0.00 C ATOM 389 CD2 LEU A 24 -2.277 5.877 11.996 1.00 0.00 C ATOM 0 H LEU A 24 1.209 3.690 9.564 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.011 5.349 9.469 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.065 3.467 11.202 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.254 4.936 12.138 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.360 4.084 10.805 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.092 3.528 13.111 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.694 2.538 12.629 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.468 3.924 13.721 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.340 5.856 12.238 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.718 6.257 12.851 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.114 6.528 11.137 1.00 0.00 H new ATOM 401 N ARG A 25 1.659 6.818 10.723 1.00 0.00 N ATOM 402 CA ARG A 25 2.219 8.117 11.081 1.00 0.00 C ATOM 403 C ARG A 25 2.025 9.134 9.958 1.00 0.00 C ATOM 404 O ARG A 25 1.376 10.161 10.149 1.00 0.00 O ATOM 405 CB ARG A 25 3.712 7.977 11.389 1.00 0.00 C ATOM 406 CG ARG A 25 3.897 7.317 12.759 1.00 0.00 C ATOM 407 CD ARG A 25 3.832 8.380 13.858 1.00 0.00 C ATOM 408 NE ARG A 25 5.146 8.987 14.055 1.00 0.00 N ATOM 409 CZ ARG A 25 5.279 10.161 14.665 1.00 0.00 C ATOM 410 NH1 ARG A 25 4.448 11.134 14.403 1.00 0.00 N ATOM 411 NH2 ARG A 25 6.241 10.340 15.527 1.00 0.00 N ATOM 0 H ARG A 25 2.321 6.044 10.767 1.00 0.00 H new ATOM 0 HA ARG A 25 1.692 8.475 11.965 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.198 7.379 10.618 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.189 8.957 11.379 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.123 6.567 12.919 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.855 6.799 12.797 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.106 9.147 13.589 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.489 7.929 14.789 1.00 0.00 H new ATOM 0 HE ARG A 25 5.977 8.501 13.718 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.695 10.994 13.729 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.552 12.034 14.872 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.890 9.580 15.732 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.345 11.240 15.996 1.00 0.00 H new ATOM 425 N ASP A 26 2.617 8.855 8.796 1.00 0.00 N ATOM 426 CA ASP A 26 2.522 9.779 7.663 1.00 0.00 C ATOM 427 C ASP A 26 1.499 9.330 6.618 1.00 0.00 C ATOM 428 O ASP A 26 0.609 10.096 6.247 1.00 0.00 O ATOM 429 CB ASP A 26 3.895 9.918 6.998 1.00 0.00 C ATOM 430 CG ASP A 26 4.834 10.758 7.868 1.00 0.00 C ATOM 431 OD1 ASP A 26 4.513 10.977 9.027 1.00 0.00 O ATOM 432 OD2 ASP A 26 5.864 11.168 7.361 1.00 0.00 O ATOM 0 H ASP A 26 3.160 8.011 8.615 1.00 0.00 H new ATOM 0 HA ASP A 26 2.186 10.737 8.058 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.328 8.931 6.835 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.785 10.383 6.018 1.00 0.00 H new ATOM 437 N GLY A 27 1.649 8.103 6.123 1.00 0.00 N ATOM 438 CA GLY A 27 0.752 7.577 5.092 1.00 0.00 C ATOM 439 C GLY A 27 -0.642 7.270 5.633 1.00 0.00 C ATOM 440 O GLY A 27 -1.480 6.718 4.916 1.00 0.00 O ATOM 0 H GLY A 27 2.380 7.455 6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.672 8.300 4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.182 6.669 4.669 1.00 0.00 H new ATOM 444 N GLY A 28 -0.887 7.610 6.895 1.00 0.00 N ATOM 445 CA GLY A 28 -2.185 7.344 7.505 1.00 0.00 C ATOM 446 C GLY A 28 -2.475 5.845 7.507 1.00 0.00 C ATOM 447 O GLY A 28 -1.567 5.030 7.330 1.00 0.00 O ATOM 0 H GLY A 28 -0.212 8.065 7.509 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.199 7.725 8.526 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.966 7.871 6.957 1.00 0.00 H new ATOM 451 N ASP A 29 -3.738 5.486 7.701 1.00 0.00 N ATOM 452 CA ASP A 29 -4.123 4.078 7.722 1.00 0.00 C ATOM 453 C ASP A 29 -4.458 3.587 6.317 1.00 0.00 C ATOM 454 O ASP A 29 -5.044 4.316 5.516 1.00 0.00 O ATOM 455 CB ASP A 29 -5.339 3.883 8.635 1.00 0.00 C ATOM 456 CG ASP A 29 -4.895 3.816 10.091 1.00 0.00 C ATOM 457 OD1 ASP A 29 -4.527 2.737 10.530 1.00 0.00 O ATOM 458 OD2 ASP A 29 -4.928 4.843 10.749 1.00 0.00 O ATOM 0 H ASP A 29 -4.507 6.141 7.845 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.282 3.499 8.104 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.042 4.705 8.498 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.864 2.967 8.364 1.00 0.00 H new ATOM 463 N CYS A 30 -4.083 2.343 6.035 1.00 0.00 N ATOM 464 CA CYS A 30 -4.345 1.738 4.731 1.00 0.00 C ATOM 465 C CYS A 30 -5.026 0.385 4.914 1.00 0.00 C ATOM 466 O CYS A 30 -4.898 -0.242 5.967 1.00 0.00 O ATOM 467 CB CYS A 30 -3.035 1.557 3.960 1.00 0.00 C ATOM 468 SG CYS A 30 -1.877 0.581 4.953 1.00 0.00 S ATOM 0 H CYS A 30 -3.596 1.733 6.692 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.002 2.397 4.163 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.226 1.058 3.010 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.601 2.529 3.727 1.00 0.00 H new ATOM 0 HG CYS A 30 -1.456 1.295 5.955 1.00 0.00 H new ATOM 474 N THR A 31 -5.754 -0.059 3.891 1.00 0.00 N ATOM 475 CA THR A 31 -6.454 -1.339 3.971 1.00 0.00 C ATOM 476 C THR A 31 -6.574 -1.990 2.596 1.00 0.00 C ATOM 477 O THR A 31 -7.177 -1.429 1.679 1.00 0.00 O ATOM 478 CB THR A 31 -7.853 -1.132 4.564 1.00 0.00 C ATOM 479 OG1 THR A 31 -7.752 -0.375 5.763 1.00 0.00 O ATOM 480 CG2 THR A 31 -8.491 -2.490 4.871 1.00 0.00 C ATOM 0 H THR A 31 -5.874 0.440 3.010 1.00 0.00 H new ATOM 0 HA THR A 31 -5.875 -2.001 4.615 1.00 0.00 H new ATOM 0 HB THR A 31 -8.473 -0.597 3.845 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.646 -0.241 6.142 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.485 -2.338 5.292 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.571 -3.070 3.952 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.872 -3.029 5.588 1.00 0.00 H new ATOM 488 N LEU A 32 -6.008 -3.189 2.470 1.00 0.00 N ATOM 489 CA LEU A 32 -6.066 -3.934 1.217 1.00 0.00 C ATOM 490 C LEU A 32 -7.442 -4.577 1.074 1.00 0.00 C ATOM 491 O LEU A 32 -7.851 -5.374 1.921 1.00 0.00 O ATOM 492 CB LEU A 32 -4.982 -5.016 1.203 1.00 0.00 C ATOM 493 CG LEU A 32 -4.850 -5.605 -0.208 1.00 0.00 C ATOM 494 CD1 LEU A 32 -3.385 -5.960 -0.478 1.00 0.00 C ATOM 495 CD2 LEU A 32 -5.709 -6.871 -0.321 1.00 0.00 C ATOM 0 H LEU A 32 -5.505 -3.663 3.220 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.896 -3.253 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.029 -4.592 1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.233 -5.804 1.913 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.189 -4.870 -0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.291 -6.378 -1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.773 -5.062 -0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.047 -6.693 0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.613 -7.287 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.372 -7.606 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.753 -6.621 -0.130 1.00 0.00 H new ATOM 507 N VAL A 33 -8.159 -4.218 0.013 1.00 0.00 N ATOM 508 CA VAL A 33 -9.498 -4.758 -0.210 1.00 0.00 C ATOM 509 C VAL A 33 -9.463 -5.987 -1.116 1.00 0.00 C ATOM 510 O VAL A 33 -10.302 -6.879 -0.982 1.00 0.00 O ATOM 511 CB VAL A 33 -10.399 -3.682 -0.828 1.00 0.00 C ATOM 512 CG1 VAL A 33 -9.878 -3.294 -2.214 1.00 0.00 C ATOM 513 CG2 VAL A 33 -11.829 -4.218 -0.957 1.00 0.00 C ATOM 0 H VAL A 33 -7.840 -3.562 -0.700 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.901 -5.063 0.756 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.393 -2.804 -0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.524 -2.529 -2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.864 -2.904 -2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -9.874 -4.172 -2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.467 -3.451 -1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.830 -5.101 -1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.208 -4.484 0.030 1.00 0.00 H new ATOM 523 N ASP A 34 -8.502 -6.035 -2.038 1.00 0.00 N ATOM 524 CA ASP A 34 -8.406 -7.173 -2.950 1.00 0.00 C ATOM 525 C ASP A 34 -7.055 -7.215 -3.657 1.00 0.00 C ATOM 526 O ASP A 34 -6.497 -6.180 -4.025 1.00 0.00 O ATOM 527 CB ASP A 34 -9.521 -7.097 -3.997 1.00 0.00 C ATOM 528 CG ASP A 34 -9.778 -8.480 -4.588 1.00 0.00 C ATOM 529 OD1 ASP A 34 -9.092 -8.837 -5.534 1.00 0.00 O ATOM 530 OD2 ASP A 34 -10.655 -9.163 -4.086 1.00 0.00 O ATOM 0 H ASP A 34 -7.792 -5.315 -2.172 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.510 -8.081 -2.357 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -10.433 -6.712 -3.541 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.242 -6.401 -4.788 1.00 0.00 H new ATOM 535 N VAL A 35 -6.551 -8.432 -3.854 1.00 0.00 N ATOM 536 CA VAL A 35 -5.274 -8.638 -4.533 1.00 0.00 C ATOM 537 C VAL A 35 -5.511 -9.265 -5.906 1.00 0.00 C ATOM 538 O VAL A 35 -6.401 -10.101 -6.067 1.00 0.00 O ATOM 539 CB VAL A 35 -4.371 -9.549 -3.685 1.00 0.00 C ATOM 540 CG1 VAL A 35 -4.960 -10.963 -3.621 1.00 0.00 C ATOM 541 CG2 VAL A 35 -2.974 -9.612 -4.308 1.00 0.00 C ATOM 0 H VAL A 35 -7.009 -9.292 -3.552 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.780 -7.675 -4.664 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.306 -9.141 -2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.313 -11.600 -3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.952 -10.924 -3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.035 -11.372 -4.629 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.336 -10.258 -3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.044 -10.013 -5.319 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.546 -8.610 -4.343 1.00 0.00 H new ATOM 551 N GLU A 36 -4.717 -8.855 -6.893 1.00 0.00 N ATOM 552 CA GLU A 36 -4.864 -9.388 -8.245 1.00 0.00 C ATOM 553 C GLU A 36 -3.616 -9.120 -9.077 1.00 0.00 C ATOM 554 O GLU A 36 -3.443 -8.026 -9.613 1.00 0.00 O ATOM 555 CB GLU A 36 -6.086 -8.764 -8.927 1.00 0.00 C ATOM 556 CG GLU A 36 -6.554 -9.668 -10.072 1.00 0.00 C ATOM 557 CD GLU A 36 -7.599 -8.951 -10.925 1.00 0.00 C ATOM 558 OE1 GLU A 36 -8.454 -8.289 -10.355 1.00 0.00 O ATOM 559 OE2 GLU A 36 -7.534 -9.076 -12.137 1.00 0.00 O ATOM 0 H GLU A 36 -3.974 -8.164 -6.785 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.003 -10.467 -8.170 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.890 -8.631 -8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.835 -7.775 -9.310 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.703 -9.951 -10.691 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.975 -10.589 -9.668 1.00 0.00 H new ATOM 566 N ASP A 37 -2.759 -10.139 -9.185 1.00 0.00 N ATOM 567 CA ASP A 37 -1.523 -10.033 -9.959 1.00 0.00 C ATOM 568 C ASP A 37 -0.748 -8.771 -9.587 1.00 0.00 C ATOM 569 O ASP A 37 0.131 -8.802 -8.724 1.00 0.00 O ATOM 570 CB ASP A 37 -1.844 -10.022 -11.459 1.00 0.00 C ATOM 571 CG ASP A 37 -2.528 -11.328 -11.864 1.00 0.00 C ATOM 572 OD1 ASP A 37 -2.026 -12.378 -11.496 1.00 0.00 O ATOM 573 OD2 ASP A 37 -3.542 -11.258 -12.539 1.00 0.00 O ATOM 0 H ASP A 37 -2.901 -11.048 -8.744 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.902 -10.898 -9.726 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.491 -9.177 -11.693 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.927 -9.890 -12.033 1.00 0.00 H new ATOM 578 N GLY A 38 -1.081 -7.665 -10.246 1.00 0.00 N ATOM 579 CA GLY A 38 -0.417 -6.393 -9.985 1.00 0.00 C ATOM 580 C GLY A 38 -1.434 -5.283 -9.733 1.00 0.00 C ATOM 581 O GLY A 38 -1.080 -4.208 -9.255 1.00 0.00 O ATOM 0 H GLY A 38 -1.805 -7.624 -10.963 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.239 -6.493 -9.120 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.213 -6.127 -10.834 1.00 0.00 H new ATOM 585 N ILE A 39 -2.699 -5.554 -10.055 1.00 0.00 N ATOM 586 CA ILE A 39 -3.765 -4.575 -9.863 1.00 0.00 C ATOM 587 C ILE A 39 -4.328 -4.677 -8.449 1.00 0.00 C ATOM 588 O ILE A 39 -5.499 -5.008 -8.251 1.00 0.00 O ATOM 589 CB ILE A 39 -4.882 -4.802 -10.893 1.00 0.00 C ATOM 590 CG1 ILE A 39 -4.275 -4.913 -12.299 1.00 0.00 C ATOM 591 CG2 ILE A 39 -5.865 -3.626 -10.858 1.00 0.00 C ATOM 592 CD1 ILE A 39 -3.769 -6.340 -12.542 1.00 0.00 C ATOM 0 H ILE A 39 -3.009 -6.442 -10.449 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.352 -3.576 -10.004 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.409 -5.725 -10.649 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.022 -4.651 -13.048 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.454 -4.204 -12.406 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.656 -3.791 -11.590 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.303 -3.547 -9.863 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.337 -2.703 -11.096 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.340 -6.409 -13.542 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.007 -6.587 -11.803 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.600 -7.040 -12.454 1.00 0.00 H new ATOM 604 N VAL A 40 -3.481 -4.400 -7.467 1.00 0.00 N ATOM 605 CA VAL A 40 -3.896 -4.468 -6.069 1.00 0.00 C ATOM 606 C VAL A 40 -4.692 -3.224 -5.677 1.00 0.00 C ATOM 607 O VAL A 40 -4.228 -2.090 -5.840 1.00 0.00 O ATOM 608 CB VAL A 40 -2.662 -4.624 -5.162 1.00 0.00 C ATOM 609 CG1 VAL A 40 -2.792 -3.746 -3.910 1.00 0.00 C ATOM 610 CG2 VAL A 40 -2.537 -6.088 -4.733 1.00 0.00 C ATOM 0 H VAL A 40 -2.508 -4.128 -7.609 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.542 -5.336 -5.941 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.778 -4.313 -5.719 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.909 -3.872 -3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.880 -2.701 -4.206 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.679 -4.041 -3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.665 -6.206 -4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.433 -6.385 -4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.425 -6.717 -5.616 1.00 0.00 H new ATOM 620 N LYS A 41 -5.889 -3.452 -5.143 1.00 0.00 N ATOM 621 CA LYS A 41 -6.745 -2.361 -4.700 1.00 0.00 C ATOM 622 C LYS A 41 -6.409 -2.001 -3.256 1.00 0.00 C ATOM 623 O LYS A 41 -6.001 -2.863 -2.476 1.00 0.00 O ATOM 624 CB LYS A 41 -8.215 -2.770 -4.806 1.00 0.00 C ATOM 625 CG LYS A 41 -8.648 -2.753 -6.273 1.00 0.00 C ATOM 626 CD LYS A 41 -9.915 -3.595 -6.443 1.00 0.00 C ATOM 627 CE LYS A 41 -10.399 -3.511 -7.895 1.00 0.00 C ATOM 628 NZ LYS A 41 -11.326 -4.643 -8.178 1.00 0.00 N ATOM 0 H LYS A 41 -6.286 -4.382 -5.008 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.575 -1.493 -5.337 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.357 -3.766 -4.386 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.836 -2.088 -4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.834 -1.729 -6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.850 -3.146 -6.903 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.713 -4.632 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.694 -3.239 -5.769 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.906 -2.561 -8.066 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.548 -3.545 -8.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.654 -4.585 -9.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.828 -5.544 -8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.144 -4.591 -7.537 1.00 0.00 H new ATOM 642 N LEU A 42 -6.573 -0.729 -2.904 1.00 0.00 N ATOM 643 CA LEU A 42 -6.270 -0.276 -1.548 1.00 0.00 C ATOM 644 C LEU A 42 -7.257 0.797 -1.099 1.00 0.00 C ATOM 645 O LEU A 42 -8.013 1.340 -1.907 1.00 0.00 O ATOM 646 CB LEU A 42 -4.844 0.286 -1.494 1.00 0.00 C ATOM 647 CG LEU A 42 -3.862 -0.817 -1.080 1.00 0.00 C ATOM 648 CD1 LEU A 42 -2.466 -0.484 -1.616 1.00 0.00 C ATOM 649 CD2 LEU A 42 -3.812 -0.912 0.448 1.00 0.00 C ATOM 0 H LEU A 42 -6.911 0.001 -3.531 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.355 -1.130 -0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.565 0.686 -2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.796 1.112 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.193 -1.770 -1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.767 -1.267 -1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.500 -0.417 -2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.136 0.470 -1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.114 -1.696 0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.482 0.041 0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.805 -1.149 0.831 1.00 0.00 H new ATOM 661 N GLN A 43 -7.233 1.100 0.197 1.00 0.00 N ATOM 662 CA GLN A 43 -8.121 2.111 0.764 1.00 0.00 C ATOM 663 C GLN A 43 -7.384 2.910 1.829 1.00 0.00 C ATOM 664 O GLN A 43 -6.897 2.350 2.811 1.00 0.00 O ATOM 665 CB GLN A 43 -9.354 1.446 1.384 1.00 0.00 C ATOM 666 CG GLN A 43 -10.461 1.325 0.331 1.00 0.00 C ATOM 667 CD GLN A 43 -10.216 0.108 -0.559 1.00 0.00 C ATOM 668 OE1 GLN A 43 -9.469 -0.798 -0.188 1.00 0.00 O ATOM 669 NE2 GLN A 43 -10.803 0.036 -1.721 1.00 0.00 N ATOM 0 H GLN A 43 -6.609 0.660 0.873 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.441 2.781 -0.034 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.093 0.459 1.766 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -9.708 2.033 2.232 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.430 1.236 0.821 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -10.493 2.229 -0.278 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.422 0.787 -2.027 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -10.644 -0.771 -2.324 1.00 0.00 H new ATOM 678 N LEU A 44 -7.298 4.220 1.621 1.00 0.00 N ATOM 679 CA LEU A 44 -6.604 5.092 2.566 1.00 0.00 C ATOM 680 C LEU A 44 -7.533 5.527 3.695 1.00 0.00 C ATOM 681 O LEU A 44 -8.748 5.333 3.627 1.00 0.00 O ATOM 682 CB LEU A 44 -6.069 6.329 1.835 1.00 0.00 C ATOM 683 CG LEU A 44 -4.722 6.752 2.436 1.00 0.00 C ATOM 684 CD1 LEU A 44 -3.679 5.649 2.212 1.00 0.00 C ATOM 685 CD2 LEU A 44 -4.251 8.046 1.763 1.00 0.00 C ATOM 0 H LEU A 44 -7.696 4.700 0.814 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.774 4.533 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.951 6.111 0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.785 7.147 1.915 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.842 6.917 3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.726 5.957 2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.013 4.729 2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.556 5.476 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.294 8.350 2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.136 7.878 0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.988 8.832 1.930 1.00 0.00 H new ATOM 697 N HIS A 45 -6.945 6.122 4.731 1.00 0.00 N ATOM 698 CA HIS A 45 -7.709 6.593 5.882 1.00 0.00 C ATOM 699 C HIS A 45 -6.890 7.613 6.669 1.00 0.00 C ATOM 700 O HIS A 45 -6.359 7.314 7.740 1.00 0.00 O ATOM 701 CB HIS A 45 -8.086 5.411 6.787 1.00 0.00 C ATOM 702 CG HIS A 45 -9.475 4.938 6.449 1.00 0.00 C ATOM 703 ND1 HIS A 45 -10.596 5.725 6.661 1.00 0.00 N ATOM 704 CD2 HIS A 45 -9.941 3.760 5.916 1.00 0.00 C ATOM 705 CE1 HIS A 45 -11.670 5.020 6.259 1.00 0.00 C ATOM 706 NE2 HIS A 45 -11.326 3.815 5.797 1.00 0.00 N ATOM 0 H HIS A 45 -5.941 6.289 4.796 1.00 0.00 H new ATOM 0 HA HIS A 45 -8.623 7.069 5.527 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -7.372 4.598 6.656 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -8.038 5.712 7.834 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -10.605 6.667 7.051 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.325 2.919 5.633 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -12.686 5.384 6.305 1.00 0.00 H new ATOM 714 N GLY A 46 -6.790 8.822 6.121 1.00 0.00 N ATOM 715 CA GLY A 46 -6.035 9.892 6.761 1.00 0.00 C ATOM 716 C GLY A 46 -6.324 11.226 6.082 1.00 0.00 C ATOM 717 O GLY A 46 -5.465 12.107 6.025 1.00 0.00 O ATOM 0 H GLY A 46 -7.223 9.083 5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.298 9.950 7.817 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.968 9.674 6.710 1.00 0.00 H new ATOM 721 N ALA A 47 -7.544 11.361 5.567 1.00 0.00 N ATOM 722 CA ALA A 47 -7.954 12.586 4.887 1.00 0.00 C ATOM 723 C ALA A 47 -8.295 13.680 5.895 1.00 0.00 C ATOM 724 O ALA A 47 -8.704 14.776 5.514 1.00 0.00 O ATOM 725 CB ALA A 47 -9.171 12.308 4.004 1.00 0.00 C ATOM 0 H ALA A 47 -8.264 10.639 5.608 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.123 12.928 4.270 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.472 13.226 3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.916 11.552 3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.994 11.947 4.621 1.00 0.00 H new ATOM 731 N CYS A 48 -8.125 13.373 7.181 1.00 0.00 N ATOM 732 CA CYS A 48 -8.420 14.340 8.235 1.00 0.00 C ATOM 733 C CYS A 48 -7.406 15.485 8.213 1.00 0.00 C ATOM 734 O CYS A 48 -6.528 15.571 9.073 1.00 0.00 O ATOM 735 CB CYS A 48 -8.395 13.646 9.601 1.00 0.00 C ATOM 736 SG CYS A 48 -8.953 14.806 10.876 1.00 0.00 S ATOM 0 H CYS A 48 -7.788 12.470 7.515 1.00 0.00 H new ATOM 0 HA CYS A 48 -9.413 14.753 8.060 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -9.039 12.767 9.586 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -7.387 13.298 9.826 1.00 0.00 H new ATOM 0 HG CYS A 48 -8.934 14.218 12.035 1.00 0.00 H new ATOM 742 N GLY A 49 -7.541 16.357 7.219 1.00 0.00 N ATOM 743 CA GLY A 49 -6.644 17.499 7.074 1.00 0.00 C ATOM 744 C GLY A 49 -7.148 18.434 5.983 1.00 0.00 C ATOM 745 O GLY A 49 -6.359 19.018 5.238 1.00 0.00 O ATOM 0 H GLY A 49 -8.263 16.295 6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.574 18.037 8.019 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.640 17.152 6.830 1.00 0.00 H new ATOM 749 N THR A 50 -8.473 18.563 5.900 1.00 0.00 N ATOM 750 CA THR A 50 -9.109 19.424 4.902 1.00 0.00 C ATOM 751 C THR A 50 -8.461 19.240 3.530 1.00 0.00 C ATOM 752 O THR A 50 -7.765 20.128 3.034 1.00 0.00 O ATOM 753 CB THR A 50 -9.023 20.895 5.335 1.00 0.00 C ATOM 754 OG1 THR A 50 -7.661 21.289 5.426 1.00 0.00 O ATOM 755 CG2 THR A 50 -9.698 21.072 6.697 1.00 0.00 C ATOM 0 H THR A 50 -9.129 18.080 6.514 1.00 0.00 H new ATOM 0 HA THR A 50 -10.158 19.138 4.826 1.00 0.00 H new ATOM 0 HB THR A 50 -9.530 21.516 4.596 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.117 20.723 4.840 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.635 22.117 7.001 1.00 0.00 H new ATOM 0 HG22 THR A 50 -10.745 20.777 6.625 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.195 20.448 7.436 1.00 0.00 H new ATOM 763 N CYS A 51 -8.699 18.078 2.923 1.00 0.00 N ATOM 764 CA CYS A 51 -8.140 17.774 1.606 1.00 0.00 C ATOM 765 C CYS A 51 -6.616 17.904 1.624 1.00 0.00 C ATOM 766 O CYS A 51 -6.065 18.927 1.212 1.00 0.00 O ATOM 767 CB CYS A 51 -8.735 18.719 0.557 1.00 0.00 C ATOM 768 SG CYS A 51 -10.522 18.853 0.810 1.00 0.00 S ATOM 0 H CYS A 51 -9.273 17.334 3.320 1.00 0.00 H new ATOM 0 HA CYS A 51 -8.395 16.746 1.349 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -8.271 19.703 0.633 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.526 18.345 -0.445 1.00 0.00 H new ATOM 0 HG CYS A 51 -11.027 19.657 -0.078 1.00 0.00 H new ATOM 774 N PRO A 52 -5.932 16.891 2.094 1.00 0.00 N ATOM 775 CA PRO A 52 -4.446 16.887 2.172 1.00 0.00 C ATOM 776 C PRO A 52 -3.799 16.762 0.796 1.00 0.00 C ATOM 777 O PRO A 52 -3.970 15.756 0.107 1.00 0.00 O ATOM 778 CB PRO A 52 -4.100 15.673 3.049 1.00 0.00 C ATOM 779 CG PRO A 52 -5.396 15.032 3.449 1.00 0.00 C ATOM 780 CD PRO A 52 -6.508 15.640 2.596 1.00 0.00 C ATOM 0 HA PRO A 52 -4.070 17.823 2.585 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.475 14.968 2.501 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.536 15.982 3.929 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.349 13.953 3.301 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.593 15.200 4.508 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.792 14.976 1.779 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.407 15.823 3.185 1.00 0.00 H new ATOM 788 N SER A 53 -3.053 17.792 0.407 1.00 0.00 N ATOM 789 CA SER A 53 -2.374 17.796 -0.884 1.00 0.00 C ATOM 790 C SER A 53 -1.057 17.030 -0.793 1.00 0.00 C ATOM 791 O SER A 53 -0.503 16.603 -1.808 1.00 0.00 O ATOM 792 CB SER A 53 -2.101 19.236 -1.321 1.00 0.00 C ATOM 793 OG SER A 53 -1.296 19.879 -0.340 1.00 0.00 O ATOM 0 H SER A 53 -2.904 18.632 0.966 1.00 0.00 H new ATOM 0 HA SER A 53 -3.016 17.309 -1.618 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.595 19.246 -2.287 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.040 19.774 -1.447 1.00 0.00 H new ATOM 0 HG SER A 53 -1.117 20.802 -0.617 1.00 0.00 H new ATOM 799 N SER A 54 -0.565 16.861 0.432 1.00 0.00 N ATOM 800 CA SER A 54 0.688 16.149 0.655 1.00 0.00 C ATOM 801 C SER A 54 0.477 14.641 0.543 1.00 0.00 C ATOM 802 O SER A 54 1.293 13.937 -0.054 1.00 0.00 O ATOM 803 CB SER A 54 1.245 16.501 2.038 1.00 0.00 C ATOM 804 OG SER A 54 0.732 15.595 3.006 1.00 0.00 O ATOM 0 H SER A 54 -1.013 17.206 1.281 1.00 0.00 H new ATOM 0 HA SER A 54 1.404 16.453 -0.109 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.334 16.456 2.024 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.972 17.523 2.301 1.00 0.00 H new ATOM 0 HG SER A 54 1.091 15.822 3.889 1.00 0.00 H new ATOM 810 N THR A 55 -0.621 14.151 1.117 1.00 0.00 N ATOM 811 CA THR A 55 -0.929 12.724 1.068 1.00 0.00 C ATOM 812 C THR A 55 -0.890 12.224 -0.375 1.00 0.00 C ATOM 813 O THR A 55 -0.353 11.152 -0.658 1.00 0.00 O ATOM 814 CB THR A 55 -2.314 12.468 1.671 1.00 0.00 C ATOM 815 OG1 THR A 55 -2.344 12.968 3.000 1.00 0.00 O ATOM 816 CG2 THR A 55 -2.606 10.966 1.687 1.00 0.00 C ATOM 0 H THR A 55 -1.307 14.717 1.617 1.00 0.00 H new ATOM 0 HA THR A 55 -0.181 12.183 1.648 1.00 0.00 H new ATOM 0 HB THR A 55 -3.069 12.973 1.068 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.229 12.808 3.390 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.592 10.792 2.117 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.581 10.580 0.668 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.853 10.455 2.287 1.00 0.00 H new ATOM 824 N ILE A 56 -1.459 13.017 -1.279 1.00 0.00 N ATOM 825 CA ILE A 56 -1.482 12.660 -2.696 1.00 0.00 C ATOM 826 C ILE A 56 -0.058 12.513 -3.221 1.00 0.00 C ATOM 827 O ILE A 56 0.261 11.551 -3.923 1.00 0.00 O ATOM 828 CB ILE A 56 -2.218 13.735 -3.509 1.00 0.00 C ATOM 829 CG1 ILE A 56 -3.371 14.334 -2.688 1.00 0.00 C ATOM 830 CG2 ILE A 56 -2.781 13.114 -4.792 1.00 0.00 C ATOM 831 CD1 ILE A 56 -4.238 13.218 -2.096 1.00 0.00 C ATOM 0 H ILE A 56 -1.908 13.906 -1.058 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.008 11.711 -2.803 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.512 14.527 -3.759 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.971 14.957 -1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.980 14.980 -3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.303 13.878 -5.368 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.964 12.706 -5.387 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.477 12.315 -4.535 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.051 13.657 -1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.652 12.613 -2.902 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.628 12.589 -1.447 1.00 0.00 H new ATOM 843 N THR A 57 0.792 13.476 -2.869 1.00 0.00 N ATOM 844 CA THR A 57 2.186 13.457 -3.300 1.00 0.00 C ATOM 845 C THR A 57 2.917 12.260 -2.695 1.00 0.00 C ATOM 846 O THR A 57 3.641 11.549 -3.393 1.00 0.00 O ATOM 847 CB THR A 57 2.874 14.763 -2.879 1.00 0.00 C ATOM 848 OG1 THR A 57 2.359 15.836 -3.655 1.00 0.00 O ATOM 849 CG2 THR A 57 4.386 14.654 -3.103 1.00 0.00 C ATOM 0 H THR A 57 0.540 14.276 -2.289 1.00 0.00 H new ATOM 0 HA THR A 57 2.218 13.367 -4.386 1.00 0.00 H new ATOM 0 HB THR A 57 2.681 14.945 -1.822 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.795 16.672 -3.387 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.866 15.585 -2.802 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.784 13.831 -2.508 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.585 14.468 -4.158 1.00 0.00 H new ATOM 857 N LEU A 58 2.720 12.041 -1.395 1.00 0.00 N ATOM 858 CA LEU A 58 3.364 10.921 -0.713 1.00 0.00 C ATOM 859 C LEU A 58 2.983 9.607 -1.390 1.00 0.00 C ATOM 860 O LEU A 58 3.850 8.809 -1.745 1.00 0.00 O ATOM 861 CB LEU A 58 2.945 10.893 0.763 1.00 0.00 C ATOM 862 CG LEU A 58 3.788 9.861 1.525 1.00 0.00 C ATOM 863 CD1 LEU A 58 5.246 10.330 1.597 1.00 0.00 C ATOM 864 CD2 LEU A 58 3.233 9.699 2.944 1.00 0.00 C ATOM 0 H LEU A 58 2.126 12.618 -0.799 1.00 0.00 H new ATOM 0 HA LEU A 58 4.445 11.047 -0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.075 11.880 1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.887 10.644 0.845 1.00 0.00 H new ATOM 0 HG LEU A 58 3.745 8.905 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.839 9.593 2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.642 10.443 0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.295 11.288 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.830 8.966 3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.274 10.657 3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.199 9.358 2.894 1.00 0.00 H new ATOM 876 N LYS A 59 1.679 9.398 -1.575 1.00 0.00 N ATOM 877 CA LYS A 59 1.185 8.186 -2.226 1.00 0.00 C ATOM 878 C LYS A 59 1.919 7.962 -3.547 1.00 0.00 C ATOM 879 O LYS A 59 2.421 6.872 -3.812 1.00 0.00 O ATOM 880 CB LYS A 59 -0.322 8.308 -2.481 1.00 0.00 C ATOM 881 CG LYS A 59 -0.822 7.071 -3.239 1.00 0.00 C ATOM 882 CD LYS A 59 -2.341 7.161 -3.429 1.00 0.00 C ATOM 883 CE LYS A 59 -2.660 8.015 -4.659 1.00 0.00 C ATOM 884 NZ LYS A 59 -2.606 7.166 -5.883 1.00 0.00 N ATOM 0 H LYS A 59 0.950 10.049 -1.285 1.00 0.00 H new ATOM 0 HA LYS A 59 1.369 7.334 -1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.854 8.406 -1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.531 9.209 -3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.328 7.002 -4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.568 6.166 -2.686 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.761 6.163 -3.549 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.802 7.597 -2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.649 8.462 -4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.946 8.835 -4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.823 7.747 -6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.654 6.759 -5.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.304 6.399 -5.804 1.00 0.00 H new ATOM 898 N ALA A 60 1.977 9.009 -4.367 1.00 0.00 N ATOM 899 CA ALA A 60 2.655 8.930 -5.657 1.00 0.00 C ATOM 900 C ALA A 60 4.137 8.618 -5.466 1.00 0.00 C ATOM 901 O ALA A 60 4.767 7.998 -6.325 1.00 0.00 O ATOM 902 CB ALA A 60 2.506 10.255 -6.408 1.00 0.00 C ATOM 0 H ALA A 60 1.564 9.919 -4.161 1.00 0.00 H new ATOM 0 HA ALA A 60 2.197 8.129 -6.237 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.015 10.187 -7.370 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.449 10.464 -6.571 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.948 11.059 -5.819 1.00 0.00 H new ATOM 908 N GLY A 61 4.686 9.052 -4.332 1.00 0.00 N ATOM 909 CA GLY A 61 6.095 8.816 -4.032 1.00 0.00 C ATOM 910 C GLY A 61 6.362 7.331 -3.819 1.00 0.00 C ATOM 911 O GLY A 61 7.180 6.732 -4.519 1.00 0.00 O ATOM 0 H GLY A 61 4.179 9.566 -3.611 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.713 9.187 -4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.380 9.373 -3.139 1.00 0.00 H new ATOM 915 N ILE A 62 5.661 6.741 -2.852 1.00 0.00 N ATOM 916 CA ILE A 62 5.824 5.324 -2.557 1.00 0.00 C ATOM 917 C ILE A 62 5.438 4.482 -3.770 1.00 0.00 C ATOM 918 O ILE A 62 6.144 3.544 -4.128 1.00 0.00 O ATOM 919 CB ILE A 62 4.967 4.933 -1.345 1.00 0.00 C ATOM 920 CG1 ILE A 62 3.527 5.432 -1.533 1.00 0.00 C ATOM 921 CG2 ILE A 62 5.565 5.554 -0.078 1.00 0.00 C ATOM 922 CD1 ILE A 62 2.707 5.144 -0.273 1.00 0.00 C ATOM 0 H ILE A 62 4.979 7.221 -2.264 1.00 0.00 H new ATOM 0 HA ILE A 62 6.871 5.135 -2.321 1.00 0.00 H new ATOM 0 HB ILE A 62 4.955 3.847 -1.251 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.528 6.502 -1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.072 4.941 -2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.958 5.278 0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.582 5.187 0.062 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.581 6.639 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.687 5.501 -0.414 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.693 4.070 -0.085 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.156 5.656 0.578 1.00 0.00 H new ATOM 934 N GLU A 63 4.319 4.833 -4.405 1.00 0.00 N ATOM 935 CA GLU A 63 3.857 4.110 -5.589 1.00 0.00 C ATOM 936 C GLU A 63 5.017 3.860 -6.554 1.00 0.00 C ATOM 937 O GLU A 63 5.404 2.717 -6.790 1.00 0.00 O ATOM 938 CB GLU A 63 2.758 4.912 -6.295 1.00 0.00 C ATOM 939 CG GLU A 63 1.979 4.001 -7.249 1.00 0.00 C ATOM 940 CD GLU A 63 1.018 4.832 -8.094 1.00 0.00 C ATOM 941 OE1 GLU A 63 0.080 5.372 -7.530 1.00 0.00 O ATOM 942 OE2 GLU A 63 1.232 4.915 -9.291 1.00 0.00 O ATOM 0 H GLU A 63 3.720 5.608 -4.121 1.00 0.00 H new ATOM 0 HA GLU A 63 3.455 3.148 -5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.081 5.345 -5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.199 5.741 -6.849 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.671 3.461 -7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.424 3.254 -6.681 1.00 0.00 H new ATOM 949 N ARG A 64 5.567 4.944 -7.103 1.00 0.00 N ATOM 950 CA ARG A 64 6.687 4.844 -8.040 1.00 0.00 C ATOM 951 C ARG A 64 7.846 4.061 -7.425 1.00 0.00 C ATOM 952 O ARG A 64 8.406 3.165 -8.059 1.00 0.00 O ATOM 953 CB ARG A 64 7.164 6.247 -8.431 1.00 0.00 C ATOM 954 CG ARG A 64 8.127 6.155 -9.620 1.00 0.00 C ATOM 955 CD ARG A 64 8.665 7.548 -9.955 1.00 0.00 C ATOM 956 NE ARG A 64 9.812 7.445 -10.853 1.00 0.00 N ATOM 957 CZ ARG A 64 9.670 7.511 -12.177 1.00 0.00 C ATOM 958 NH1 ARG A 64 8.480 7.579 -12.711 1.00 0.00 N ATOM 959 NH2 ARG A 64 10.727 7.504 -12.941 1.00 0.00 N ATOM 0 H ARG A 64 5.257 5.898 -6.916 1.00 0.00 H new ATOM 0 HA ARG A 64 6.344 4.313 -8.928 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.310 6.872 -8.691 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.661 6.721 -7.585 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.952 5.483 -9.382 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.614 5.735 -10.485 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.882 8.145 -10.421 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.956 8.063 -9.039 1.00 0.00 H new ATOM 0 HE ARG A 64 10.744 7.320 -10.458 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.653 7.582 -12.114 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.378 7.629 -13.725 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.657 7.448 -12.525 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.624 7.554 -13.955 1.00 0.00 H new ATOM 973 N ALA A 65 8.199 4.407 -6.189 1.00 0.00 N ATOM 974 CA ALA A 65 9.291 3.735 -5.492 1.00 0.00 C ATOM 975 C ALA A 65 9.020 2.238 -5.381 1.00 0.00 C ATOM 976 O ALA A 65 9.888 1.418 -5.677 1.00 0.00 O ATOM 977 CB ALA A 65 9.461 4.329 -4.092 1.00 0.00 C ATOM 0 H ALA A 65 7.746 5.146 -5.652 1.00 0.00 H new ATOM 0 HA ALA A 65 10.206 3.884 -6.065 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.278 3.822 -3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.687 5.392 -4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.539 4.196 -3.526 1.00 0.00 H new ATOM 983 N LEU A 66 7.807 1.893 -4.954 1.00 0.00 N ATOM 984 CA LEU A 66 7.419 0.493 -4.802 1.00 0.00 C ATOM 985 C LEU A 66 7.610 -0.263 -6.113 1.00 0.00 C ATOM 986 O LEU A 66 8.146 -1.367 -6.126 1.00 0.00 O ATOM 987 CB LEU A 66 5.956 0.399 -4.360 1.00 0.00 C ATOM 988 CG LEU A 66 5.863 0.606 -2.845 1.00 0.00 C ATOM 989 CD1 LEU A 66 4.485 1.170 -2.486 1.00 0.00 C ATOM 990 CD2 LEU A 66 6.069 -0.735 -2.133 1.00 0.00 C ATOM 0 H LEU A 66 7.078 2.562 -4.708 1.00 0.00 H new ATOM 0 HA LEU A 66 8.055 0.041 -4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.360 1.151 -4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.546 -0.574 -4.630 1.00 0.00 H new ATOM 0 HG LEU A 66 6.634 1.308 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.421 1.316 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.340 2.125 -2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.712 0.471 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.003 -0.588 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.299 -1.438 -2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.052 -1.134 -2.385 1.00 0.00 H new ATOM 1002 N HIS A 67 7.169 0.341 -7.212 1.00 0.00 N ATOM 1003 CA HIS A 67 7.302 -0.285 -8.525 1.00 0.00 C ATOM 1004 C HIS A 67 8.756 -0.665 -8.789 1.00 0.00 C ATOM 1005 O HIS A 67 9.063 -1.821 -9.075 1.00 0.00 O ATOM 1006 CB HIS A 67 6.817 0.673 -9.618 1.00 0.00 C ATOM 1007 CG HIS A 67 5.352 0.975 -9.429 1.00 0.00 C ATOM 1008 ND1 HIS A 67 4.472 0.676 -8.418 1.00 0.00 N flip ATOM 1009 CD2 HIS A 67 4.619 1.678 -10.372 1.00 0.00 C flip ATOM 1010 CE1 HIS A 67 3.214 1.182 -8.727 1.00 0.00 C flip ATOM 1011 NE2 HIS A 67 3.358 1.778 -9.914 1.00 0.00 N flip ATOM 0 H HIS A 67 6.719 1.257 -7.221 1.00 0.00 H new ATOM 0 HA HIS A 67 6.691 -1.187 -8.539 1.00 0.00 H new ATOM 0 HB2 HIS A 67 7.394 1.597 -9.585 1.00 0.00 H new ATOM 0 HB3 HIS A 67 6.981 0.230 -10.600 1.00 0.00 H new ATOM 0 HD2 HIS A 67 4.992 2.074 -11.305 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.314 1.109 -8.135 1.00 0.00 H new ATOM 0 HE2 HIS A 67 2.604 2.251 -10.412 1.00 0.00 H new ATOM 1019 N GLU A 68 9.647 0.321 -8.698 1.00 0.00 N ATOM 1020 CA GLU A 68 11.071 0.086 -8.932 1.00 0.00 C ATOM 1021 C GLU A 68 11.684 -0.776 -7.827 1.00 0.00 C ATOM 1022 O GLU A 68 12.652 -1.500 -8.062 1.00 0.00 O ATOM 1023 CB GLU A 68 11.809 1.423 -9.013 1.00 0.00 C ATOM 1024 CG GLU A 68 11.607 2.035 -10.404 1.00 0.00 C ATOM 1025 CD GLU A 68 12.267 3.411 -10.481 1.00 0.00 C ATOM 1026 OE1 GLU A 68 12.155 4.160 -9.522 1.00 0.00 O ATOM 1027 OE2 GLU A 68 12.871 3.699 -11.500 1.00 0.00 O ATOM 0 H GLU A 68 9.410 1.285 -8.465 1.00 0.00 H new ATOM 0 HA GLU A 68 11.174 -0.450 -9.875 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.436 2.103 -8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.872 1.276 -8.819 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.032 1.378 -11.163 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.542 2.123 -10.619 1.00 0.00 H new ATOM 1034 N GLU A 69 11.124 -0.683 -6.623 1.00 0.00 N ATOM 1035 CA GLU A 69 11.631 -1.451 -5.486 1.00 0.00 C ATOM 1036 C GLU A 69 11.014 -2.850 -5.450 1.00 0.00 C ATOM 1037 O GLU A 69 11.468 -3.717 -4.702 1.00 0.00 O ATOM 1038 CB GLU A 69 11.315 -0.714 -4.177 1.00 0.00 C ATOM 1039 CG GLU A 69 12.234 -1.221 -3.056 1.00 0.00 C ATOM 1040 CD GLU A 69 13.579 -0.492 -3.087 1.00 0.00 C ATOM 1041 OE1 GLU A 69 13.928 0.046 -4.126 1.00 0.00 O ATOM 1042 OE2 GLU A 69 14.245 -0.485 -2.064 1.00 0.00 O ATOM 0 H GLU A 69 10.324 -0.088 -6.409 1.00 0.00 H new ATOM 0 HA GLU A 69 12.710 -1.553 -5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.450 0.359 -4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.272 -0.872 -3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.754 -1.069 -2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.394 -2.294 -3.167 1.00 0.00 H new ATOM 1049 N VAL A 70 9.983 -3.062 -6.264 1.00 0.00 N ATOM 1050 CA VAL A 70 9.307 -4.356 -6.321 1.00 0.00 C ATOM 1051 C VAL A 70 8.698 -4.563 -7.708 1.00 0.00 C ATOM 1052 O VAL A 70 7.492 -4.775 -7.845 1.00 0.00 O ATOM 1053 CB VAL A 70 8.199 -4.438 -5.253 1.00 0.00 C ATOM 1054 CG1 VAL A 70 7.945 -5.905 -4.896 1.00 0.00 C ATOM 1055 CG2 VAL A 70 8.620 -3.679 -3.987 1.00 0.00 C ATOM 0 H VAL A 70 9.598 -2.357 -6.892 1.00 0.00 H new ATOM 0 HA VAL A 70 10.041 -5.138 -6.125 1.00 0.00 H new ATOM 0 HB VAL A 70 7.291 -3.987 -5.654 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.162 -5.965 -4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.632 -6.448 -5.788 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.861 -6.348 -4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.827 -3.746 -3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.533 -4.119 -3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.799 -2.632 -4.233 1.00 0.00 H new ATOM 1065 N PRO A 71 9.515 -4.499 -8.732 1.00 0.00 N ATOM 1066 CA PRO A 71 9.074 -4.675 -10.145 1.00 0.00 C ATOM 1067 C PRO A 71 8.111 -5.850 -10.312 1.00 0.00 C ATOM 1068 O PRO A 71 8.261 -6.886 -9.662 1.00 0.00 O ATOM 1069 CB PRO A 71 10.376 -4.918 -10.927 1.00 0.00 C ATOM 1070 CG PRO A 71 11.498 -4.877 -9.931 1.00 0.00 C ATOM 1071 CD PRO A 71 10.955 -4.248 -8.653 1.00 0.00 C ATOM 0 HA PRO A 71 8.523 -3.805 -10.500 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.347 -5.882 -11.436 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.513 -4.156 -11.695 1.00 0.00 H new ATOM 0 HG2 PRO A 71 11.873 -5.881 -9.734 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.334 -4.295 -10.319 1.00 0.00 H new ATOM 0 HD2 PRO A 71 11.393 -4.703 -7.765 1.00 0.00 H new ATOM 0 HD3 PRO A 71 11.174 -3.181 -8.606 1.00 0.00 H new ATOM 1079 N GLY A 72 7.122 -5.671 -11.182 1.00 0.00 N ATOM 1080 CA GLY A 72 6.126 -6.707 -11.435 1.00 0.00 C ATOM 1081 C GLY A 72 4.732 -6.098 -11.507 1.00 0.00 C ATOM 1082 O GLY A 72 3.869 -6.580 -12.243 1.00 0.00 O ATOM 0 H GLY A 72 6.989 -4.817 -11.724 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.354 -7.219 -12.370 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.162 -7.456 -10.644 1.00 0.00 H new ATOM 1086 N VAL A 73 4.522 -5.030 -10.741 1.00 0.00 N ATOM 1087 CA VAL A 73 3.237 -4.345 -10.721 1.00 0.00 C ATOM 1088 C VAL A 73 2.954 -3.709 -12.073 1.00 0.00 C ATOM 1089 O VAL A 73 3.866 -3.246 -12.760 1.00 0.00 O ATOM 1090 CB VAL A 73 3.236 -3.274 -9.625 1.00 0.00 C ATOM 1091 CG1 VAL A 73 3.739 -3.876 -8.308 1.00 0.00 C ATOM 1092 CG2 VAL A 73 4.154 -2.118 -10.031 1.00 0.00 C ATOM 0 H VAL A 73 5.227 -4.622 -10.127 1.00 0.00 H new ATOM 0 HA VAL A 73 2.454 -5.073 -10.510 1.00 0.00 H new ATOM 0 HB VAL A 73 2.219 -2.905 -9.492 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.736 -3.110 -7.533 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.086 -4.696 -8.010 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.753 -4.251 -8.443 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.150 -1.359 -9.249 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.169 -2.491 -10.170 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.797 -1.680 -10.963 1.00 0.00 H new ATOM 1102 N ILE A 74 1.682 -3.703 -12.448 1.00 0.00 N ATOM 1103 CA ILE A 74 1.269 -3.137 -13.724 1.00 0.00 C ATOM 1104 C ILE A 74 0.398 -1.906 -13.499 1.00 0.00 C ATOM 1105 O ILE A 74 0.372 -0.991 -14.323 1.00 0.00 O ATOM 1106 CB ILE A 74 0.490 -4.186 -14.526 1.00 0.00 C ATOM 1107 CG1 ILE A 74 0.757 -5.586 -13.947 1.00 0.00 C ATOM 1108 CG2 ILE A 74 0.936 -4.138 -15.989 1.00 0.00 C ATOM 1109 CD1 ILE A 74 0.190 -6.658 -14.884 1.00 0.00 C ATOM 0 H ILE A 74 0.920 -4.083 -11.887 1.00 0.00 H new ATOM 0 HA ILE A 74 2.157 -2.841 -14.283 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.577 -3.973 -14.464 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.829 -5.736 -13.816 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.300 -5.674 -12.961 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.384 -4.883 -16.562 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.739 -3.147 -16.397 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.003 -4.350 -16.051 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.384 -7.646 -14.466 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.885 -6.514 -14.993 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.668 -6.577 -15.860 1.00 0.00 H new ATOM 1121 N GLU A 75 -0.310 -1.896 -12.373 1.00 0.00 N ATOM 1122 CA GLU A 75 -1.185 -0.780 -12.029 1.00 0.00 C ATOM 1123 C GLU A 75 -1.567 -0.861 -10.554 1.00 0.00 C ATOM 1124 O GLU A 75 -1.283 -1.854 -9.889 1.00 0.00 O ATOM 1125 CB GLU A 75 -2.453 -0.822 -12.895 1.00 0.00 C ATOM 1126 CG GLU A 75 -2.480 0.383 -13.843 1.00 0.00 C ATOM 1127 CD GLU A 75 -2.908 1.641 -13.088 1.00 0.00 C ATOM 1128 OE1 GLU A 75 -4.069 1.722 -12.719 1.00 0.00 O ATOM 1129 OE2 GLU A 75 -2.068 2.503 -12.890 1.00 0.00 O ATOM 0 H GLU A 75 -0.295 -2.648 -11.684 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.658 0.156 -12.214 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.481 -1.748 -13.469 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.338 -0.815 -12.259 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.493 0.532 -14.282 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.169 0.192 -14.666 1.00 0.00 H new ATOM 1136 N VAL A 76 -2.211 0.183 -10.047 1.00 0.00 N ATOM 1137 CA VAL A 76 -2.622 0.201 -8.647 1.00 0.00 C ATOM 1138 C VAL A 76 -3.882 1.040 -8.473 1.00 0.00 C ATOM 1139 O VAL A 76 -4.194 1.886 -9.312 1.00 0.00 O ATOM 1140 CB VAL A 76 -1.490 0.762 -7.776 1.00 0.00 C ATOM 1141 CG1 VAL A 76 -1.351 2.272 -8.006 1.00 0.00 C ATOM 1142 CG2 VAL A 76 -1.800 0.495 -6.299 1.00 0.00 C ATOM 0 H VAL A 76 -2.458 1.019 -10.576 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.839 -0.820 -8.333 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.555 0.272 -8.047 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.545 2.662 -7.384 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.123 2.461 -9.055 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.285 2.768 -7.743 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.996 0.894 -5.681 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.739 0.980 -6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.887 -0.579 -6.134 1.00 0.00 H new ATOM 1152 N GLU A 77 -4.602 0.794 -7.381 1.00 0.00 N ATOM 1153 CA GLU A 77 -5.831 1.530 -7.108 1.00 0.00 C ATOM 1154 C GLU A 77 -5.965 1.805 -5.614 1.00 0.00 C ATOM 1155 O GLU A 77 -6.076 0.881 -4.811 1.00 0.00 O ATOM 1156 CB GLU A 77 -7.045 0.725 -7.585 1.00 0.00 C ATOM 1157 CG GLU A 77 -7.063 0.666 -9.117 1.00 0.00 C ATOM 1158 CD GLU A 77 -8.329 -0.037 -9.607 1.00 0.00 C ATOM 1159 OE1 GLU A 77 -8.669 -1.066 -9.046 1.00 0.00 O ATOM 1160 OE2 GLU A 77 -8.937 0.462 -10.539 1.00 0.00 O ATOM 0 H GLU A 77 -4.358 0.097 -6.677 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.790 2.478 -7.645 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.008 -0.284 -7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.963 1.184 -7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.018 1.675 -9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.182 0.135 -9.477 1.00 0.00 H new ATOM 1167 N GLN A 78 -5.957 3.086 -5.255 1.00 0.00 N ATOM 1168 CA GLN A 78 -6.084 3.489 -3.859 1.00 0.00 C ATOM 1169 C GLN A 78 -7.244 4.469 -3.707 1.00 0.00 C ATOM 1170 O GLN A 78 -7.059 5.687 -3.767 1.00 0.00 O ATOM 1171 CB GLN A 78 -4.778 4.139 -3.382 1.00 0.00 C ATOM 1172 CG GLN A 78 -4.531 3.786 -1.911 1.00 0.00 C ATOM 1173 CD GLN A 78 -3.644 4.844 -1.263 1.00 0.00 C ATOM 1174 OE1 GLN A 78 -4.143 6.018 -0.981 1.00 0.00 O flip ATOM 1175 NE2 GLN A 78 -2.466 4.598 -1.010 1.00 0.00 N flip ATOM 0 H GLN A 78 -5.864 3.861 -5.911 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.283 2.608 -3.249 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.944 3.794 -3.994 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.834 5.221 -3.502 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.481 3.720 -1.380 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.057 2.807 -1.838 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -2.078 3.681 -1.231 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.877 5.311 -0.579 1.00 0.00 H new ATOM 1184 N VAL A 79 -8.443 3.926 -3.523 1.00 0.00 N ATOM 1185 CA VAL A 79 -9.638 4.753 -3.378 1.00 0.00 C ATOM 1186 C VAL A 79 -9.882 5.111 -1.916 1.00 0.00 C ATOM 1187 O VAL A 79 -9.140 4.687 -1.026 1.00 0.00 O ATOM 1188 CB VAL A 79 -10.860 4.014 -3.938 1.00 0.00 C ATOM 1189 CG1 VAL A 79 -10.573 3.555 -5.371 1.00 0.00 C ATOM 1190 CG2 VAL A 79 -11.170 2.792 -3.064 1.00 0.00 C ATOM 0 H VAL A 79 -8.614 2.922 -3.471 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.481 5.675 -3.938 1.00 0.00 H new ATOM 0 HB VAL A 79 -11.717 4.688 -3.937 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.443 3.030 -5.766 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.358 4.423 -5.995 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.713 2.885 -5.373 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -12.039 2.269 -3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.312 2.120 -3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -11.380 3.117 -2.045 1.00 0.00 H new ATOM 1200 N PHE A 80 -10.932 5.892 -1.680 1.00 0.00 N ATOM 1201 CA PHE A 80 -11.291 6.307 -0.329 1.00 0.00 C ATOM 1202 C PHE A 80 -12.585 5.625 0.102 1.00 0.00 C ATOM 1203 O PHE A 80 -13.478 5.405 -0.717 1.00 0.00 O ATOM 1204 CB PHE A 80 -11.467 7.826 -0.279 1.00 0.00 C ATOM 1205 CG PHE A 80 -10.197 8.497 -0.752 1.00 0.00 C ATOM 1206 CD1 PHE A 80 -9.015 8.363 -0.010 1.00 0.00 C ATOM 1207 CD2 PHE A 80 -10.200 9.250 -1.932 1.00 0.00 C ATOM 1208 CE1 PHE A 80 -7.839 8.982 -0.450 1.00 0.00 C ATOM 1209 CE2 PHE A 80 -9.024 9.868 -2.372 1.00 0.00 C ATOM 1210 CZ PHE A 80 -7.844 9.735 -1.631 1.00 0.00 C ATOM 0 H PHE A 80 -11.550 6.250 -2.408 1.00 0.00 H new ATOM 0 HA PHE A 80 -10.491 6.016 0.352 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.305 8.126 -0.907 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.701 8.142 0.737 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.012 7.782 0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.111 9.354 -2.503 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -6.928 8.879 0.121 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.027 10.448 -3.283 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.937 10.213 -1.970 1.00 0.00 H new ATOM 1220 N LEU A 81 -12.679 5.289 1.386 1.00 0.00 N ATOM 1221 CA LEU A 81 -13.872 4.628 1.909 1.00 0.00 C ATOM 1222 C LEU A 81 -15.058 5.594 1.931 1.00 0.00 C ATOM 1223 O LEU A 81 -15.443 6.099 2.987 1.00 0.00 O ATOM 1224 CB LEU A 81 -13.599 4.096 3.322 1.00 0.00 C ATOM 1225 CG LEU A 81 -14.558 2.940 3.633 1.00 0.00 C ATOM 1226 CD1 LEU A 81 -13.924 1.614 3.203 1.00 0.00 C ATOM 1227 CD2 LEU A 81 -14.844 2.903 5.138 1.00 0.00 C ATOM 0 H LEU A 81 -11.950 5.462 2.079 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.121 3.792 1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.566 3.756 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.727 4.894 4.053 1.00 0.00 H new ATOM 0 HG LEU A 81 -15.490 3.089 3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -14.608 0.795 3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.722 1.638 2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.990 1.464 3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -15.526 2.081 5.359 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.911 2.757 5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -15.299 3.845 5.445 1.00 0.00 H new ATOM 1239 N GLU A 82 -15.628 5.844 0.751 1.00 0.00 N ATOM 1240 CA GLU A 82 -16.770 6.747 0.622 1.00 0.00 C ATOM 1241 C GLU A 82 -16.505 8.066 1.347 1.00 0.00 C ATOM 1242 O GLU A 82 -17.192 8.407 2.312 1.00 0.00 O ATOM 1243 CB GLU A 82 -18.030 6.083 1.190 1.00 0.00 C ATOM 1244 CG GLU A 82 -18.443 4.908 0.296 1.00 0.00 C ATOM 1245 CD GLU A 82 -19.334 5.400 -0.843 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -20.513 5.605 -0.601 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -18.826 5.561 -1.941 1.00 0.00 O ATOM 0 H GLU A 82 -15.316 5.433 -0.129 1.00 0.00 H new ATOM 0 HA GLU A 82 -16.921 6.960 -0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.842 5.732 2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -18.840 6.810 1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -17.556 4.421 -0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -18.974 4.161 0.886 1.00 0.00 H new ATOM 1254 N HIS A 83 -15.501 8.803 0.876 1.00 0.00 N ATOM 1255 CA HIS A 83 -15.149 10.081 1.485 1.00 0.00 C ATOM 1256 C HIS A 83 -15.831 11.234 0.748 1.00 0.00 C ATOM 1257 O HIS A 83 -15.177 12.024 0.067 1.00 0.00 O ATOM 1258 CB HIS A 83 -13.629 10.271 1.460 1.00 0.00 C ATOM 1259 CG HIS A 83 -12.991 9.415 2.523 1.00 0.00 C ATOM 1260 ND1 HIS A 83 -13.703 8.459 3.232 1.00 0.00 N ATOM 1261 CD2 HIS A 83 -11.708 9.362 3.008 1.00 0.00 C ATOM 1262 CE1 HIS A 83 -12.851 7.876 4.095 1.00 0.00 C ATOM 1263 NE2 HIS A 83 -11.621 8.389 4.000 1.00 0.00 N ATOM 0 H HIS A 83 -14.921 8.538 0.080 1.00 0.00 H new ATOM 0 HA HIS A 83 -15.493 10.079 2.519 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -13.236 10.003 0.479 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -13.381 11.319 1.627 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.890 9.981 2.671 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -13.128 7.089 4.781 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -10.796 8.125 4.538 1.00 0.00 H new ATOM 1271 N HIS A 84 -17.150 11.322 0.899 1.00 0.00 N ATOM 1272 CA HIS A 84 -17.922 12.382 0.256 1.00 0.00 C ATOM 1273 C HIS A 84 -19.201 12.646 1.044 1.00 0.00 C ATOM 1274 O HIS A 84 -19.445 13.766 1.492 1.00 0.00 O ATOM 1275 CB HIS A 84 -18.270 11.987 -1.185 1.00 0.00 C ATOM 1276 CG HIS A 84 -18.923 13.148 -1.888 1.00 0.00 C ATOM 1277 ND1 HIS A 84 -18.656 14.466 -1.547 1.00 0.00 N ATOM 1278 CD2 HIS A 84 -19.833 13.205 -2.914 1.00 0.00 C ATOM 1279 CE1 HIS A 84 -19.392 15.251 -2.354 1.00 0.00 C ATOM 1280 NE2 HIS A 84 -20.129 14.533 -3.205 1.00 0.00 N ATOM 0 H HIS A 84 -17.705 10.675 1.459 1.00 0.00 H new ATOM 0 HA HIS A 84 -17.320 13.291 0.236 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -17.367 11.688 -1.718 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -18.940 11.127 -1.185 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -20.255 12.349 -3.419 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -19.387 16.330 -2.318 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -20.771 14.883 -3.916 1.00 0.00 H new ATOM 1288 N HIS A 85 -20.008 11.601 1.217 1.00 0.00 N ATOM 1289 CA HIS A 85 -21.259 11.719 1.962 1.00 0.00 C ATOM 1290 C HIS A 85 -21.023 11.371 3.431 1.00 0.00 C ATOM 1291 O HIS A 85 -19.899 11.471 3.926 1.00 0.00 O ATOM 1292 CB HIS A 85 -22.318 10.780 1.371 1.00 0.00 C ATOM 1293 CG HIS A 85 -22.336 10.910 -0.130 1.00 0.00 C ATOM 1294 ND1 HIS A 85 -23.107 11.858 -0.782 1.00 0.00 N ATOM 1295 CD2 HIS A 85 -21.683 10.215 -1.117 1.00 0.00 C ATOM 1296 CE1 HIS A 85 -22.901 11.709 -2.104 1.00 0.00 C ATOM 1297 NE2 HIS A 85 -22.041 10.722 -2.362 1.00 0.00 N ATOM 0 H HIS A 85 -19.819 10.667 0.853 1.00 0.00 H new ATOM 0 HA HIS A 85 -21.616 12.746 1.888 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -22.102 9.750 1.653 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -23.300 11.022 1.778 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -20.996 9.398 -0.952 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -23.374 12.314 -2.863 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -21.716 10.407 -3.276 1.00 0.00 H new ATOM 1305 N HIS A 86 -22.084 10.960 4.121 1.00 0.00 N ATOM 1306 CA HIS A 86 -21.976 10.598 5.531 1.00 0.00 C ATOM 1307 C HIS A 86 -22.865 9.398 5.841 1.00 0.00 C ATOM 1308 O HIS A 86 -23.341 8.717 4.933 1.00 0.00 O ATOM 1309 CB HIS A 86 -22.381 11.786 6.410 1.00 0.00 C ATOM 1310 CG HIS A 86 -21.606 13.006 5.996 1.00 0.00 C ATOM 1311 ND1 HIS A 86 -20.259 13.163 6.288 1.00 0.00 N ATOM 1312 CD2 HIS A 86 -21.972 14.134 5.305 1.00 0.00 C ATOM 1313 CE1 HIS A 86 -19.868 14.344 5.778 1.00 0.00 C ATOM 1314 NE2 HIS A 86 -20.873 14.978 5.169 1.00 0.00 N ATOM 0 H HIS A 86 -23.022 10.870 3.730 1.00 0.00 H new ATOM 0 HA HIS A 86 -20.941 10.332 5.744 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -23.451 11.973 6.316 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -22.188 11.558 7.458 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -22.962 14.336 4.924 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -18.863 14.733 5.852 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -20.842 15.885 4.704 1.00 0.00 H new ATOM 1322 N HIS A 87 -23.082 9.146 7.129 1.00 0.00 N ATOM 1323 CA HIS A 87 -23.915 8.025 7.553 1.00 0.00 C ATOM 1324 C HIS A 87 -25.381 8.443 7.611 1.00 0.00 C ATOM 1325 O HIS A 87 -26.265 7.610 7.817 1.00 0.00 O ATOM 1326 CB HIS A 87 -23.461 7.535 8.932 1.00 0.00 C ATOM 1327 CG HIS A 87 -22.083 6.939 8.826 1.00 0.00 C ATOM 1328 ND1 HIS A 87 -21.085 7.515 8.056 1.00 0.00 N ATOM 1329 CD2 HIS A 87 -21.523 5.817 9.386 1.00 0.00 C ATOM 1330 CE1 HIS A 87 -19.986 6.747 8.172 1.00 0.00 C ATOM 1331 NE2 HIS A 87 -20.199 5.698 8.972 1.00 0.00 N ATOM 0 H HIS A 87 -22.695 9.700 7.893 1.00 0.00 H new ATOM 0 HA HIS A 87 -23.810 7.217 6.829 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -23.457 8.363 9.640 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -24.161 6.792 9.314 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -22.032 5.131 10.047 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -19.047 6.953 7.679 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -19.534 4.967 9.225 1.00 0.00 H new ATOM 1339 N HIS A 88 -25.629 9.739 7.424 1.00 0.00 N ATOM 1340 CA HIS A 88 -26.991 10.272 7.452 1.00 0.00 C ATOM 1341 C HIS A 88 -27.652 10.001 8.805 1.00 0.00 C ATOM 1342 O HIS A 88 -28.866 10.112 8.886 1.00 0.00 O ATOM 1343 CB HIS A 88 -27.827 9.643 6.329 1.00 0.00 C ATOM 1344 CG HIS A 88 -26.991 9.511 5.085 1.00 0.00 C ATOM 1345 ND1 HIS A 88 -26.791 10.568 4.213 1.00 0.00 N ATOM 1346 CD2 HIS A 88 -26.294 8.452 4.555 1.00 0.00 C ATOM 1347 CE1 HIS A 88 -26.005 10.129 3.215 1.00 0.00 C ATOM 1348 NE2 HIS A 88 -25.672 8.845 3.374 1.00 0.00 N ATOM 1349 OXT HIS A 88 -26.936 9.690 9.744 1.00 0.00 O ATOM 0 H HIS A 88 -24.906 10.438 7.252 1.00 0.00 H new ATOM 0 HA HIS A 88 -26.939 11.350 7.301 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -28.191 8.664 6.639 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -28.703 10.259 6.126 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -26.238 7.465 4.989 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -25.682 10.740 2.385 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -25.088 8.276 2.762 1.00 0.00 H new TER 1357 HIS A 88