USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 715 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 38 SER OG : rot -14:sc= -0.649! USER MOD Set 1.2: A 46 THR OG1 : rot 135:sc= 0.784 USER MOD Set 1.3: A 69 GLN : amide:sc= -6.81 K(o=-10,f=-14!) USER MOD Set 1.4: A 71 MET CE :methyl -170:sc= -3.32 (180deg=-1.21) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -136:sc= -1.55 (180deg=-4.41!) USER MOD Single : A 26 GLN : amide:sc= -0.0281 X(o=-0.028,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.7 F(o=-2.1,f=-0.7) USER MOD Single : A 52 MET CE :methyl -163:sc= -2.93! (180deg=-5.23!) USER MOD Single : A 53 MET CE :methyl 153:sc= -0.333 (180deg=-1.45) USER MOD Single : A 54 HIS : no HD1:sc= -0.0579 X(o=-0.058,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -57:sc= 1.15 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.504 F(o=-1.8,f=-0.5) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.401 K(o=0.4,f=-4.7!) USER MOD Single : A 76 THR OG1 : rot 76:sc= 1.24 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -170:sc= 0.00302 USER MOD Single : A 86 CYS SG : rot 61:sc= -1.1 USER MOD Single : A 87 GLN :FLIP amide:sc= -0.0217 F(o=-0.89,f=-0.022) USER MOD Single : A 88 SER OG : rot -41:sc= 1.19 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.289 X(o=-0.29,f=-0.026) USER MOD Single : A 96 GLN : amide:sc= -3.05 X(o=-3,f=-3.2!) USER MOD Single : A 97 SER OG : rot 119:sc= -1.29 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN :FLIP amide:sc= -0.0309 F(o=-0.82,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -3.415 -7.423 -10.122 1.00 0.00 N ATOM 2 CA GLU A 17 -3.612 -6.016 -10.451 1.00 0.00 C ATOM 3 C GLU A 17 -2.449 -5.156 -9.966 1.00 0.00 C ATOM 4 O GLU A 17 -2.464 -4.646 -8.845 1.00 0.00 O ATOM 5 CB GLU A 17 -4.924 -5.512 -9.844 1.00 0.00 C ATOM 6 CG GLU A 17 -6.097 -5.564 -10.809 1.00 0.00 C ATOM 7 CD GLU A 17 -7.433 -5.390 -10.111 1.00 0.00 C ATOM 8 OE1 GLU A 17 -7.491 -5.593 -8.881 1.00 0.00 O ATOM 9 OE2 GLU A 17 -8.420 -5.052 -10.796 1.00 0.00 O ATOM 0 HA GLU A 17 -3.659 -5.933 -11.537 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.161 -6.109 -8.964 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.788 -4.485 -9.505 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.979 -4.784 -11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.088 -6.518 -11.336 1.00 0.00 H new ATOM 16 N PHE A 18 -1.449 -4.983 -10.825 1.00 0.00 N ATOM 17 CA PHE A 18 -0.284 -4.168 -10.494 1.00 0.00 C ATOM 18 C PHE A 18 -0.636 -2.688 -10.609 1.00 0.00 C ATOM 19 O PHE A 18 -1.481 -2.309 -11.419 1.00 0.00 O ATOM 20 CB PHE A 18 0.883 -4.510 -11.421 1.00 0.00 C ATOM 21 CG PHE A 18 1.929 -5.374 -10.775 1.00 0.00 C ATOM 22 CD1 PHE A 18 1.700 -6.724 -10.571 1.00 0.00 C ATOM 23 CD2 PHE A 18 3.139 -4.834 -10.373 1.00 0.00 C ATOM 24 CE1 PHE A 18 2.660 -7.522 -9.975 1.00 0.00 C ATOM 25 CE2 PHE A 18 4.103 -5.625 -9.778 1.00 0.00 C ATOM 26 CZ PHE A 18 3.864 -6.971 -9.579 1.00 0.00 C ATOM 0 H PHE A 18 -1.422 -5.397 -11.757 1.00 0.00 H new ATOM 0 HA PHE A 18 0.016 -4.381 -9.468 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.498 -5.019 -12.304 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.348 -3.585 -11.763 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.761 -7.159 -10.881 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.331 -3.782 -10.526 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.469 -8.574 -9.819 1.00 0.00 H new ATOM 0 HE2 PHE A 18 5.043 -5.191 -9.469 1.00 0.00 H new ATOM 0 HZ PHE A 18 4.616 -7.591 -9.115 1.00 0.00 H new ATOM 36 N LYS A 19 -0.009 -1.852 -9.785 1.00 0.00 N ATOM 37 CA LYS A 19 -0.299 -0.425 -9.808 1.00 0.00 C ATOM 38 C LYS A 19 0.926 0.429 -9.488 1.00 0.00 C ATOM 39 O LYS A 19 1.490 0.345 -8.398 1.00 0.00 O ATOM 40 CB LYS A 19 -1.415 -0.114 -8.808 1.00 0.00 C ATOM 41 CG LYS A 19 -2.658 0.472 -9.450 1.00 0.00 C ATOM 42 CD LYS A 19 -3.919 0.060 -8.705 1.00 0.00 C ATOM 43 CE LYS A 19 -5.038 -0.308 -9.667 1.00 0.00 C ATOM 44 NZ LYS A 19 -6.004 0.810 -9.851 1.00 0.00 N ATOM 0 H LYS A 19 0.694 -2.135 -9.102 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.613 -0.174 -10.821 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.685 -1.029 -8.281 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.038 0.584 -8.061 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.582 1.559 -9.465 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.723 0.142 -10.487 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.700 -0.789 -8.058 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.245 0.876 -8.060 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.611 -0.581 -10.632 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.565 -1.185 -9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.751 0.518 -10.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.431 1.055 -8.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.506 1.639 -10.233 1.00 0.00 H new ATOM 58 N ASP A 20 1.301 1.288 -10.437 1.00 0.00 N ATOM 59 CA ASP A 20 2.424 2.203 -10.248 1.00 0.00 C ATOM 60 C ASP A 20 1.948 3.388 -9.421 1.00 0.00 C ATOM 61 O ASP A 20 1.628 4.447 -9.960 1.00 0.00 O ATOM 62 CB ASP A 20 2.960 2.683 -11.598 1.00 0.00 C ATOM 63 CG ASP A 20 3.109 1.554 -12.598 1.00 0.00 C ATOM 64 OD1 ASP A 20 2.073 1.044 -13.075 1.00 0.00 O ATOM 65 OD2 ASP A 20 4.260 1.180 -12.904 1.00 0.00 O ATOM 0 H ASP A 20 0.842 1.368 -11.344 1.00 0.00 H new ATOM 0 HA ASP A 20 3.233 1.687 -9.730 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.287 3.438 -12.005 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.927 3.164 -11.451 1.00 0.00 H new ATOM 70 N VAL A 21 1.872 3.189 -8.111 1.00 0.00 N ATOM 71 CA VAL A 21 1.399 4.226 -7.214 1.00 0.00 C ATOM 72 C VAL A 21 2.381 5.377 -7.113 1.00 0.00 C ATOM 73 O VAL A 21 3.536 5.197 -6.727 1.00 0.00 O ATOM 74 CB VAL A 21 1.123 3.675 -5.801 1.00 0.00 C ATOM 75 CG1 VAL A 21 0.530 4.756 -4.907 1.00 0.00 C ATOM 76 CG2 VAL A 21 0.202 2.468 -5.872 1.00 0.00 C ATOM 0 H VAL A 21 2.133 2.317 -7.650 1.00 0.00 H new ATOM 0 HA VAL A 21 0.466 4.594 -7.642 1.00 0.00 H new ATOM 0 HB VAL A 21 2.070 3.358 -5.364 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.343 4.345 -3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.230 5.588 -4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.408 5.109 -5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.017 2.091 -4.866 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.744 2.758 -6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.671 1.687 -6.471 1.00 0.00 H new ATOM 86 N PHE A 22 1.900 6.568 -7.440 1.00 0.00 N ATOM 87 CA PHE A 22 2.715 7.764 -7.360 1.00 0.00 C ATOM 88 C PHE A 22 2.143 8.690 -6.300 1.00 0.00 C ATOM 89 O PHE A 22 1.136 9.358 -6.531 1.00 0.00 O ATOM 90 CB PHE A 22 2.750 8.486 -8.711 1.00 0.00 C ATOM 91 CG PHE A 22 4.079 9.111 -9.054 1.00 0.00 C ATOM 92 CD1 PHE A 22 5.131 9.117 -8.146 1.00 0.00 C ATOM 93 CD2 PHE A 22 4.276 9.683 -10.300 1.00 0.00 C ATOM 94 CE1 PHE A 22 6.346 9.673 -8.480 1.00 0.00 C ATOM 95 CE2 PHE A 22 5.491 10.247 -10.635 1.00 0.00 C ATOM 96 CZ PHE A 22 6.527 10.239 -9.722 1.00 0.00 C ATOM 0 H PHE A 22 0.946 6.728 -7.764 1.00 0.00 H new ATOM 0 HA PHE A 22 3.733 7.480 -7.094 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.484 7.776 -9.494 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.986 9.264 -8.713 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.994 8.681 -7.168 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.469 9.688 -11.018 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.157 9.665 -7.767 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.631 10.693 -11.609 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.479 10.677 -9.982 1.00 0.00 H new ATOM 106 N ILE A 23 2.779 8.726 -5.140 1.00 0.00 N ATOM 107 CA ILE A 23 2.307 9.573 -4.062 1.00 0.00 C ATOM 108 C ILE A 23 3.076 10.881 -4.038 1.00 0.00 C ATOM 109 O ILE A 23 4.212 10.940 -3.574 1.00 0.00 O ATOM 110 CB ILE A 23 2.440 8.867 -2.701 1.00 0.00 C ATOM 111 CG1 ILE A 23 1.915 7.433 -2.803 1.00 0.00 C ATOM 112 CG2 ILE A 23 1.698 9.643 -1.623 1.00 0.00 C ATOM 113 CD1 ILE A 23 0.413 7.339 -2.975 1.00 0.00 C ATOM 0 H ILE A 23 3.615 8.183 -4.924 1.00 0.00 H new ATOM 0 HA ILE A 23 1.252 9.781 -4.242 1.00 0.00 H new ATOM 0 HB ILE A 23 3.493 8.830 -2.423 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.399 6.939 -3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.203 6.887 -1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.803 9.129 -0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.117 10.646 -1.543 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.642 9.710 -1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.119 6.291 -3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.081 7.803 -2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.118 7.855 -3.889 1.00 0.00 H new ATOM 125 N GLU A 24 2.436 11.923 -4.547 1.00 0.00 N ATOM 126 CA GLU A 24 3.037 13.249 -4.604 1.00 0.00 C ATOM 127 C GLU A 24 2.616 14.079 -3.394 1.00 0.00 C ATOM 128 O GLU A 24 1.457 14.477 -3.279 1.00 0.00 O ATOM 129 CB GLU A 24 2.610 13.957 -5.893 1.00 0.00 C ATOM 130 CG GLU A 24 3.592 13.791 -7.041 1.00 0.00 C ATOM 131 CD GLU A 24 3.034 14.287 -8.361 1.00 0.00 C ATOM 132 OE1 GLU A 24 1.796 14.398 -8.478 1.00 0.00 O ATOM 133 OE2 GLU A 24 3.836 14.564 -9.276 1.00 0.00 O ATOM 0 H GLU A 24 1.492 11.875 -4.930 1.00 0.00 H new ATOM 0 HA GLU A 24 4.122 13.141 -4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.637 13.574 -6.201 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.483 15.020 -5.687 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.509 14.334 -6.811 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.860 12.739 -7.136 1.00 0.00 H new ATOM 140 N LYS A 25 3.558 14.333 -2.495 1.00 0.00 N ATOM 141 CA LYS A 25 3.273 15.116 -1.297 1.00 0.00 C ATOM 142 C LYS A 25 4.299 16.226 -1.115 1.00 0.00 C ATOM 143 O LYS A 25 5.100 16.498 -2.010 1.00 0.00 O ATOM 144 CB LYS A 25 3.243 14.209 -0.062 1.00 0.00 C ATOM 145 CG LYS A 25 4.564 13.512 0.228 1.00 0.00 C ATOM 146 CD LYS A 25 4.349 12.090 0.722 1.00 0.00 C ATOM 147 CE LYS A 25 4.888 11.066 -0.264 1.00 0.00 C ATOM 148 NZ LYS A 25 6.377 11.018 -0.259 1.00 0.00 N ATOM 0 H LYS A 25 4.523 14.010 -2.571 1.00 0.00 H new ATOM 0 HA LYS A 25 2.293 15.577 -1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.960 14.804 0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.468 13.454 -0.197 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.174 13.496 -0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.118 14.078 0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.841 11.961 1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.285 11.917 0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.492 10.081 -0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.536 11.308 -1.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.726 10.981 -1.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.750 11.868 0.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.695 10.172 0.255 1.00 0.00 H new ATOM 162 N GLN A 26 4.266 16.871 0.045 1.00 0.00 N ATOM 163 CA GLN A 26 5.194 17.954 0.340 1.00 0.00 C ATOM 164 C GLN A 26 6.276 17.487 1.306 1.00 0.00 C ATOM 165 O GLN A 26 5.992 16.790 2.281 1.00 0.00 O ATOM 166 CB GLN A 26 4.445 19.151 0.931 1.00 0.00 C ATOM 167 CG GLN A 26 4.077 20.206 -0.099 1.00 0.00 C ATOM 168 CD GLN A 26 2.808 19.866 -0.856 1.00 0.00 C ATOM 169 OE1 GLN A 26 1.725 20.347 -0.522 1.00 0.00 O ATOM 170 NE2 GLN A 26 2.937 19.031 -1.881 1.00 0.00 N ATOM 0 H GLN A 26 3.607 16.663 0.795 1.00 0.00 H new ATOM 0 HA GLN A 26 5.669 18.260 -0.592 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.536 18.797 1.417 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.062 19.609 1.704 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.951 21.167 0.400 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.898 20.319 -0.807 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.855 18.657 -2.122 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.118 18.764 -2.427 1.00 0.00 H new ATOM 179 N LYS A 27 7.517 17.877 1.031 1.00 0.00 N ATOM 180 CA LYS A 27 8.646 17.500 1.876 1.00 0.00 C ATOM 181 C LYS A 27 8.325 17.739 3.344 1.00 0.00 C ATOM 182 O LYS A 27 7.938 18.839 3.739 1.00 0.00 O ATOM 183 CB LYS A 27 9.892 18.277 1.466 1.00 0.00 C ATOM 184 CG LYS A 27 10.586 17.689 0.252 1.00 0.00 C ATOM 185 CD LYS A 27 12.052 17.406 0.528 1.00 0.00 C ATOM 186 CE LYS A 27 12.718 16.722 -0.654 1.00 0.00 C ATOM 187 NZ LYS A 27 13.255 17.705 -1.635 1.00 0.00 N ATOM 0 H LYS A 27 7.767 18.455 0.228 1.00 0.00 H new ATOM 0 HA LYS A 27 8.838 16.436 1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.616 19.310 1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.591 18.299 2.302 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.086 16.766 -0.042 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.500 18.380 -0.587 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.569 18.340 0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.142 16.776 1.413 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.528 16.087 -0.296 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.998 16.071 -1.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.701 17.198 -2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.478 18.295 -1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.961 18.310 -1.169 1.00 0.00 H new ATOM 201 N GLY A 28 8.461 16.689 4.137 1.00 0.00 N ATOM 202 CA GLY A 28 8.156 16.776 5.548 1.00 0.00 C ATOM 203 C GLY A 28 6.828 16.117 5.864 1.00 0.00 C ATOM 204 O GLY A 28 6.268 16.312 6.943 1.00 0.00 O ATOM 0 H GLY A 28 8.780 15.771 3.826 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.948 16.298 6.124 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.127 17.822 5.853 1.00 0.00 H new ATOM 208 N GLU A 29 6.323 15.333 4.909 1.00 0.00 N ATOM 209 CA GLU A 29 5.049 14.641 5.082 1.00 0.00 C ATOM 210 C GLU A 29 5.166 13.158 4.729 1.00 0.00 C ATOM 211 O GLU A 29 5.686 12.804 3.670 1.00 0.00 O ATOM 212 CB GLU A 29 3.971 15.295 4.215 1.00 0.00 C ATOM 213 CG GLU A 29 3.710 16.751 4.561 1.00 0.00 C ATOM 214 CD GLU A 29 3.288 16.942 6.006 1.00 0.00 C ATOM 215 OE1 GLU A 29 2.696 16.002 6.579 1.00 0.00 O ATOM 216 OE2 GLU A 29 3.551 18.027 6.563 1.00 0.00 O ATOM 0 H GLU A 29 6.777 15.163 4.011 1.00 0.00 H new ATOM 0 HA GLU A 29 4.769 14.720 6.132 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.268 15.227 3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.043 14.734 4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.612 17.333 4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.933 17.143 3.905 1.00 0.00 H new ATOM 223 N ILE A 30 4.676 12.297 5.620 1.00 0.00 N ATOM 224 CA ILE A 30 4.720 10.859 5.399 1.00 0.00 C ATOM 225 C ILE A 30 3.580 10.407 4.492 1.00 0.00 C ATOM 226 O ILE A 30 2.514 11.020 4.471 1.00 0.00 O ATOM 227 CB ILE A 30 4.643 10.081 6.724 1.00 0.00 C ATOM 228 CG1 ILE A 30 3.309 10.349 7.413 1.00 0.00 C ATOM 229 CG2 ILE A 30 5.804 10.450 7.636 1.00 0.00 C ATOM 230 CD1 ILE A 30 2.578 9.089 7.833 1.00 0.00 C ATOM 0 H ILE A 30 4.244 12.574 6.502 1.00 0.00 H new ATOM 0 HA ILE A 30 5.674 10.645 4.917 1.00 0.00 H new ATOM 0 HB ILE A 30 4.714 9.016 6.505 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.482 10.969 8.293 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.671 10.922 6.740 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.729 9.888 8.567 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.745 10.210 7.142 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.771 11.518 7.853 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.638 9.357 8.316 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.373 8.477 6.954 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.197 8.525 8.531 1.00 0.00 H new ATOM 242 N LEU A 31 3.810 9.327 3.753 1.00 0.00 N ATOM 243 CA LEU A 31 2.800 8.785 2.848 1.00 0.00 C ATOM 244 C LEU A 31 1.447 8.662 3.545 1.00 0.00 C ATOM 245 O LEU A 31 0.410 8.992 2.971 1.00 0.00 O ATOM 246 CB LEU A 31 3.244 7.413 2.335 1.00 0.00 C ATOM 247 CG LEU A 31 2.909 7.124 0.872 1.00 0.00 C ATOM 248 CD1 LEU A 31 3.912 6.143 0.284 1.00 0.00 C ATOM 249 CD2 LEU A 31 1.492 6.584 0.746 1.00 0.00 C ATOM 0 H LEU A 31 4.688 8.808 3.762 1.00 0.00 H new ATOM 0 HA LEU A 31 2.692 9.472 2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.322 7.325 2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.782 6.645 2.955 1.00 0.00 H new ATOM 0 HG LEU A 31 2.970 8.056 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.661 5.947 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.914 6.568 0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.881 5.210 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.271 6.384 -0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.402 5.661 1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.787 7.320 1.132 1.00 0.00 H new ATOM 261 N GLY A 32 1.470 8.192 4.788 1.00 0.00 N ATOM 262 CA GLY A 32 0.243 8.039 5.546 1.00 0.00 C ATOM 263 C GLY A 32 -0.322 6.631 5.484 1.00 0.00 C ATOM 264 O GLY A 32 -1.421 6.378 5.977 1.00 0.00 O ATOM 0 H GLY A 32 2.317 7.914 5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.430 8.304 6.587 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.501 8.740 5.168 1.00 0.00 H new ATOM 268 N VAL A 33 0.425 5.710 4.880 1.00 0.00 N ATOM 269 CA VAL A 33 -0.021 4.328 4.766 1.00 0.00 C ATOM 270 C VAL A 33 0.550 3.467 5.882 1.00 0.00 C ATOM 271 O VAL A 33 1.694 3.647 6.299 1.00 0.00 O ATOM 272 CB VAL A 33 0.379 3.706 3.416 1.00 0.00 C ATOM 273 CG1 VAL A 33 -0.522 4.215 2.302 1.00 0.00 C ATOM 274 CG2 VAL A 33 1.842 3.988 3.108 1.00 0.00 C ATOM 0 H VAL A 33 1.338 5.896 4.464 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.108 4.353 4.841 1.00 0.00 H new ATOM 0 HB VAL A 33 0.251 2.626 3.484 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.222 3.763 1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.556 3.948 2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.434 5.299 2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.105 3.540 2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.003 5.065 3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.468 3.561 3.892 1.00 0.00 H new ATOM 284 N VAL A 34 -0.254 2.523 6.353 1.00 0.00 N ATOM 285 CA VAL A 34 0.167 1.617 7.412 1.00 0.00 C ATOM 286 C VAL A 34 0.119 0.178 6.917 1.00 0.00 C ATOM 287 O VAL A 34 -0.945 -0.442 6.881 1.00 0.00 O ATOM 288 CB VAL A 34 -0.717 1.756 8.669 1.00 0.00 C ATOM 289 CG1 VAL A 34 0.036 1.280 9.901 1.00 0.00 C ATOM 290 CG2 VAL A 34 -1.180 3.197 8.845 1.00 0.00 C ATOM 0 H VAL A 34 -1.204 2.365 6.017 1.00 0.00 H new ATOM 0 HA VAL A 34 1.188 1.883 7.684 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.600 1.129 8.541 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.601 1.384 10.779 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.313 0.233 9.776 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.936 1.881 10.032 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.802 3.273 9.737 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.312 3.848 8.951 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.758 3.503 7.973 1.00 0.00 H new ATOM 300 N ILE A 35 1.274 -0.344 6.519 1.00 0.00 N ATOM 301 CA ILE A 35 1.344 -1.705 6.010 1.00 0.00 C ATOM 302 C ILE A 35 1.731 -2.702 7.094 1.00 0.00 C ATOM 303 O ILE A 35 2.398 -2.355 8.070 1.00 0.00 O ATOM 304 CB ILE A 35 2.333 -1.842 4.832 1.00 0.00 C ATOM 305 CG1 ILE A 35 3.636 -1.085 5.103 1.00 0.00 C ATOM 306 CG2 ILE A 35 1.694 -1.344 3.545 1.00 0.00 C ATOM 307 CD1 ILE A 35 4.434 -1.625 6.269 1.00 0.00 C ATOM 0 H ILE A 35 2.166 0.151 6.539 1.00 0.00 H new ATOM 0 HA ILE A 35 0.339 -1.933 5.655 1.00 0.00 H new ATOM 0 HB ILE A 35 2.576 -2.899 4.723 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.255 -1.118 4.207 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.402 -0.037 5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.403 -1.447 2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.802 -1.932 3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.419 -0.295 3.658 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.341 -1.034 6.394 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.835 -1.567 7.178 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.702 -2.664 6.077 1.00 0.00 H new ATOM 319 N VAL A 36 1.310 -3.946 6.907 1.00 0.00 N ATOM 320 CA VAL A 36 1.610 -5.016 7.849 1.00 0.00 C ATOM 321 C VAL A 36 2.169 -6.229 7.115 1.00 0.00 C ATOM 322 O VAL A 36 1.937 -6.399 5.919 1.00 0.00 O ATOM 323 CB VAL A 36 0.363 -5.438 8.650 1.00 0.00 C ATOM 324 CG1 VAL A 36 0.087 -4.446 9.770 1.00 0.00 C ATOM 325 CG2 VAL A 36 -0.844 -5.568 7.734 1.00 0.00 C ATOM 0 H VAL A 36 0.755 -4.240 6.104 1.00 0.00 H new ATOM 0 HA VAL A 36 2.354 -4.631 8.547 1.00 0.00 H new ATOM 0 HB VAL A 36 0.555 -6.413 9.098 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.797 -4.760 10.325 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.944 -4.409 10.443 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.084 -3.457 9.346 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.714 -5.867 8.319 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.041 -4.610 7.254 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.643 -6.321 6.972 1.00 0.00 H new ATOM 335 N GLU A 37 2.909 -7.067 7.830 1.00 0.00 N ATOM 336 CA GLU A 37 3.503 -8.258 7.232 1.00 0.00 C ATOM 337 C GLU A 37 2.445 -9.125 6.550 1.00 0.00 C ATOM 338 O GLU A 37 1.817 -9.970 7.188 1.00 0.00 O ATOM 339 CB GLU A 37 4.239 -9.076 8.296 1.00 0.00 C ATOM 340 CG GLU A 37 5.700 -8.691 8.457 1.00 0.00 C ATOM 341 CD GLU A 37 6.383 -9.448 9.578 1.00 0.00 C ATOM 342 OE1 GLU A 37 6.717 -10.635 9.376 1.00 0.00 O ATOM 343 OE2 GLU A 37 6.584 -8.855 10.659 1.00 0.00 O ATOM 0 H GLU A 37 3.112 -6.945 8.822 1.00 0.00 H new ATOM 0 HA GLU A 37 4.214 -7.930 6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.732 -8.952 9.253 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.177 -10.133 8.037 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.227 -8.881 7.522 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.770 -7.621 8.651 1.00 0.00 H new ATOM 350 N SER A 38 2.260 -8.914 5.249 1.00 0.00 N ATOM 351 CA SER A 38 1.284 -9.680 4.479 1.00 0.00 C ATOM 352 C SER A 38 1.664 -11.158 4.455 1.00 0.00 C ATOM 353 O SER A 38 2.582 -11.561 3.744 1.00 0.00 O ATOM 354 CB SER A 38 1.184 -9.136 3.052 1.00 0.00 C ATOM 355 OG SER A 38 2.168 -9.709 2.211 1.00 0.00 O ATOM 0 H SER A 38 2.773 -8.219 4.706 1.00 0.00 H new ATOM 0 HA SER A 38 0.311 -9.579 4.960 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.193 -9.345 2.650 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.300 -8.052 3.065 1.00 0.00 H new ATOM 0 HG SER A 38 2.847 -10.156 2.759 1.00 0.00 H new ATOM 361 N GLY A 39 0.956 -11.963 5.244 1.00 0.00 N ATOM 362 CA GLY A 39 1.244 -13.384 5.300 1.00 0.00 C ATOM 363 C GLY A 39 0.053 -14.246 4.924 1.00 0.00 C ATOM 364 O GLY A 39 0.028 -15.442 5.217 1.00 0.00 O ATOM 0 H GLY A 39 0.190 -11.656 5.844 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.073 -13.608 4.629 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.570 -13.644 6.307 1.00 0.00 H new ATOM 368 N TRP A 40 -0.937 -13.644 4.271 1.00 0.00 N ATOM 369 CA TRP A 40 -2.130 -14.373 3.858 1.00 0.00 C ATOM 370 C TRP A 40 -1.805 -15.363 2.743 1.00 0.00 C ATOM 371 O TRP A 40 -0.671 -15.426 2.267 1.00 0.00 O ATOM 372 CB TRP A 40 -3.218 -13.404 3.393 1.00 0.00 C ATOM 373 CG TRP A 40 -2.743 -12.394 2.389 1.00 0.00 C ATOM 374 CD1 TRP A 40 -1.502 -12.317 1.821 1.00 0.00 C ATOM 375 CD2 TRP A 40 -3.506 -11.319 1.834 1.00 0.00 C ATOM 376 NE1 TRP A 40 -1.446 -11.253 0.955 1.00 0.00 N ATOM 377 CE2 TRP A 40 -2.666 -10.626 0.943 1.00 0.00 C ATOM 378 CE3 TRP A 40 -4.820 -10.874 2.006 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -3.098 -9.513 0.225 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -5.247 -9.770 1.294 1.00 0.00 C ATOM 381 CH2 TRP A 40 -4.389 -9.101 0.412 1.00 0.00 C ATOM 0 H TRP A 40 -0.936 -12.656 4.017 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.497 -14.930 4.720 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.039 -13.975 2.959 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.619 -12.879 4.260 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -0.685 -12.994 2.024 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -0.630 -10.974 0.410 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -5.489 -11.384 2.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.438 -8.994 -0.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.260 -9.417 1.420 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.754 -8.242 -0.132 1.00 0.00 H new ATOM 392 N GLY A 41 -2.806 -16.134 2.333 1.00 0.00 N ATOM 393 CA GLY A 41 -2.607 -17.112 1.278 1.00 0.00 C ATOM 394 C GLY A 41 -2.839 -16.532 -0.102 1.00 0.00 C ATOM 395 O GLY A 41 -3.679 -17.025 -0.857 1.00 0.00 O ATOM 0 H GLY A 41 -3.752 -16.100 2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.592 -17.505 1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.283 -17.952 1.434 1.00 0.00 H new ATOM 399 N SER A 42 -2.096 -15.483 -0.435 1.00 0.00 N ATOM 400 CA SER A 42 -2.225 -14.834 -1.734 1.00 0.00 C ATOM 401 C SER A 42 -0.975 -14.023 -2.061 1.00 0.00 C ATOM 402 O SER A 42 -0.341 -13.456 -1.171 1.00 0.00 O ATOM 403 CB SER A 42 -3.461 -13.931 -1.753 1.00 0.00 C ATOM 404 OG SER A 42 -3.801 -13.551 -3.077 1.00 0.00 O ATOM 0 H SER A 42 -1.397 -15.063 0.178 1.00 0.00 H new ATOM 0 HA SER A 42 -2.340 -15.607 -2.494 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.302 -14.452 -1.295 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.273 -13.040 -1.154 1.00 0.00 H new ATOM 0 HG SER A 42 -4.595 -12.976 -3.059 1.00 0.00 H new ATOM 410 N ILE A 43 -0.621 -13.982 -3.345 1.00 0.00 N ATOM 411 CA ILE A 43 0.560 -13.249 -3.807 1.00 0.00 C ATOM 412 C ILE A 43 1.770 -13.529 -2.917 1.00 0.00 C ATOM 413 O ILE A 43 1.725 -14.403 -2.051 1.00 0.00 O ATOM 414 CB ILE A 43 0.319 -11.721 -3.864 1.00 0.00 C ATOM 415 CG1 ILE A 43 -1.176 -11.398 -3.892 1.00 0.00 C ATOM 416 CG2 ILE A 43 1.011 -11.121 -5.081 1.00 0.00 C ATOM 417 CD1 ILE A 43 -1.761 -11.157 -2.522 1.00 0.00 C ATOM 0 H ILE A 43 -1.138 -14.451 -4.089 1.00 0.00 H new ATOM 0 HA ILE A 43 0.760 -13.605 -4.818 1.00 0.00 H new ATOM 0 HB ILE A 43 0.743 -11.280 -2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.338 -10.514 -4.509 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.710 -12.221 -4.367 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.833 -10.046 -5.108 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.083 -11.310 -5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.613 -11.577 -5.987 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.824 -10.933 -2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.630 -12.048 -1.908 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.253 -10.315 -2.052 1.00 0.00 H new ATOM 429 N LEU A 44 2.849 -12.781 -3.126 1.00 0.00 N ATOM 430 CA LEU A 44 4.058 -12.952 -2.330 1.00 0.00 C ATOM 431 C LEU A 44 3.992 -12.076 -1.080 1.00 0.00 C ATOM 432 O LEU A 44 3.724 -10.878 -1.169 1.00 0.00 O ATOM 433 CB LEU A 44 5.299 -12.601 -3.155 1.00 0.00 C ATOM 434 CG LEU A 44 5.178 -11.337 -4.007 1.00 0.00 C ATOM 435 CD1 LEU A 44 6.506 -10.596 -4.052 1.00 0.00 C ATOM 436 CD2 LEU A 44 4.712 -11.686 -5.412 1.00 0.00 C ATOM 0 H LEU A 44 2.910 -12.053 -3.838 1.00 0.00 H new ATOM 0 HA LEU A 44 4.128 -13.997 -2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.145 -12.484 -2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.530 -13.441 -3.810 1.00 0.00 H new ATOM 0 HG LEU A 44 4.435 -10.682 -3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.402 -9.699 -4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.800 -10.314 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.269 -11.243 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.631 -10.775 -6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.432 -12.359 -5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.739 -12.174 -5.362 1.00 0.00 H new ATOM 448 N PRO A 45 4.228 -12.661 0.107 1.00 0.00 N ATOM 449 CA PRO A 45 4.182 -11.922 1.374 1.00 0.00 C ATOM 450 C PRO A 45 5.171 -10.763 1.418 1.00 0.00 C ATOM 451 O PRO A 45 6.384 -10.965 1.335 1.00 0.00 O ATOM 452 CB PRO A 45 4.540 -12.976 2.428 1.00 0.00 C ATOM 453 CG PRO A 45 5.195 -14.080 1.669 1.00 0.00 C ATOM 454 CD PRO A 45 4.549 -14.082 0.315 1.00 0.00 C ATOM 0 HA PRO A 45 3.206 -11.462 1.531 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.210 -12.566 3.184 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.650 -13.330 2.949 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.270 -13.916 1.590 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.054 -15.037 2.171 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.222 -14.462 -0.454 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.656 -14.706 0.294 1.00 0.00 H new ATOM 462 N THR A 46 4.646 -9.549 1.555 1.00 0.00 N ATOM 463 CA THR A 46 5.478 -8.354 1.618 1.00 0.00 C ATOM 464 C THR A 46 4.923 -7.354 2.625 1.00 0.00 C ATOM 465 O THR A 46 5.477 -7.178 3.710 1.00 0.00 O ATOM 466 CB THR A 46 5.579 -7.693 0.243 1.00 0.00 C ATOM 467 OG1 THR A 46 4.292 -7.410 -0.274 1.00 0.00 O ATOM 468 CG2 THR A 46 6.308 -8.537 -0.776 1.00 0.00 C ATOM 0 H THR A 46 3.645 -9.368 1.625 1.00 0.00 H new ATOM 0 HA THR A 46 6.473 -8.662 1.940 1.00 0.00 H new ATOM 0 HB THR A 46 6.149 -6.778 0.405 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.280 -6.502 -0.643 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.343 -8.008 -1.728 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.324 -8.729 -0.430 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.784 -9.484 -0.906 1.00 0.00 H new ATOM 476 N VAL A 47 3.829 -6.694 2.257 1.00 0.00 N ATOM 477 CA VAL A 47 3.207 -5.701 3.129 1.00 0.00 C ATOM 478 C VAL A 47 1.752 -5.441 2.743 1.00 0.00 C ATOM 479 O VAL A 47 1.411 -5.390 1.562 1.00 0.00 O ATOM 480 CB VAL A 47 3.979 -4.363 3.106 1.00 0.00 C ATOM 481 CG1 VAL A 47 4.871 -4.248 4.330 1.00 0.00 C ATOM 482 CG2 VAL A 47 4.796 -4.225 1.828 1.00 0.00 C ATOM 0 H VAL A 47 3.355 -6.828 1.364 1.00 0.00 H new ATOM 0 HA VAL A 47 3.238 -6.116 4.136 1.00 0.00 H new ATOM 0 HB VAL A 47 3.254 -3.550 3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.409 -3.300 4.300 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.259 -4.290 5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.586 -5.071 4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.329 -3.274 1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.514 -5.043 1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.131 -4.259 0.965 1.00 0.00 H new ATOM 492 N ILE A 48 0.905 -5.272 3.754 1.00 0.00 N ATOM 493 CA ILE A 48 -0.516 -5.007 3.533 1.00 0.00 C ATOM 494 C ILE A 48 -0.911 -3.656 4.106 1.00 0.00 C ATOM 495 O ILE A 48 -0.836 -3.459 5.316 1.00 0.00 O ATOM 496 CB ILE A 48 -1.437 -6.059 4.198 1.00 0.00 C ATOM 497 CG1 ILE A 48 -0.696 -7.351 4.542 1.00 0.00 C ATOM 498 CG2 ILE A 48 -2.628 -6.354 3.306 1.00 0.00 C ATOM 499 CD1 ILE A 48 -1.084 -7.903 5.897 1.00 0.00 C ATOM 0 H ILE A 48 1.177 -5.314 4.736 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.648 -5.039 2.452 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.786 -5.632 5.138 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.903 -8.099 3.777 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.378 -7.165 4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.267 -7.095 3.786 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.195 -5.438 3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.279 -6.741 2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.528 -8.820 6.089 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.852 -7.169 6.669 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.153 -8.117 5.910 1.00 0.00 H new ATOM 511 N ILE A 49 -1.370 -2.746 3.252 1.00 0.00 N ATOM 512 CA ILE A 49 -1.813 -1.436 3.716 1.00 0.00 C ATOM 513 C ILE A 49 -3.006 -1.612 4.645 1.00 0.00 C ATOM 514 O ILE A 49 -4.145 -1.321 4.280 1.00 0.00 O ATOM 515 CB ILE A 49 -2.210 -0.515 2.545 1.00 0.00 C ATOM 516 CG1 ILE A 49 -1.021 -0.302 1.608 1.00 0.00 C ATOM 517 CG2 ILE A 49 -2.726 0.824 3.061 1.00 0.00 C ATOM 518 CD1 ILE A 49 -1.416 0.194 0.236 1.00 0.00 C ATOM 0 H ILE A 49 -1.445 -2.889 2.245 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.982 -0.967 4.243 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.012 -0.998 1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.335 0.414 2.061 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.478 -1.241 1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.000 1.458 2.218 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.601 0.659 3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.947 1.314 3.645 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.523 0.323 -0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.078 -0.532 -0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.933 1.149 0.329 1.00 0.00 H new ATOM 530 N ALA A 50 -2.737 -2.113 5.843 1.00 0.00 N ATOM 531 CA ALA A 50 -3.784 -2.352 6.819 1.00 0.00 C ATOM 532 C ALA A 50 -4.564 -1.072 7.097 1.00 0.00 C ATOM 533 O ALA A 50 -5.745 -1.110 7.437 1.00 0.00 O ATOM 534 CB ALA A 50 -3.189 -2.913 8.103 1.00 0.00 C ATOM 0 H ALA A 50 -1.800 -2.361 6.160 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.478 -3.087 6.411 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.985 -3.088 8.827 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.681 -3.853 7.888 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.474 -2.200 8.515 1.00 0.00 H new ATOM 540 N ASN A 51 -3.890 0.066 6.935 1.00 0.00 N ATOM 541 CA ASN A 51 -4.514 1.363 7.154 1.00 0.00 C ATOM 542 C ASN A 51 -3.957 2.403 6.196 1.00 0.00 C ATOM 543 O ASN A 51 -3.018 2.135 5.446 1.00 0.00 O ATOM 544 CB ASN A 51 -4.309 1.826 8.600 1.00 0.00 C ATOM 545 CG ASN A 51 -5.008 0.927 9.597 1.00 0.00 C ATOM 546 OD1 ASN A 51 -6.259 0.597 9.311 1.00 0.00 O flip ATOM 547 ND2 ASN A 51 -4.431 0.535 10.611 1.00 0.00 N flip ATOM 0 H ASN A 51 -2.911 0.112 6.653 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.582 1.253 6.967 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.242 1.851 8.823 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.682 2.844 8.709 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.467 0.815 10.790 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.917 -0.070 11.273 1.00 0.00 H new ATOM 554 N MET A 52 -4.550 3.586 6.221 1.00 0.00 N ATOM 555 CA MET A 52 -4.127 4.671 5.349 1.00 0.00 C ATOM 556 C MET A 52 -4.832 5.972 5.718 1.00 0.00 C ATOM 557 O MET A 52 -6.050 6.002 5.891 1.00 0.00 O ATOM 558 CB MET A 52 -4.414 4.310 3.899 1.00 0.00 C ATOM 559 CG MET A 52 -3.914 5.348 2.908 1.00 0.00 C ATOM 560 SD MET A 52 -5.190 5.899 1.760 1.00 0.00 S ATOM 561 CE MET A 52 -6.124 4.388 1.549 1.00 0.00 C ATOM 0 H MET A 52 -5.328 3.820 6.838 1.00 0.00 H new ATOM 0 HA MET A 52 -3.055 4.819 5.476 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.950 3.350 3.673 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.489 4.183 3.770 1.00 0.00 H new ATOM 0 HG2 MET A 52 -3.529 6.209 3.455 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.080 4.931 2.343 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.749 4.468 0.660 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.438 3.549 1.436 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.755 4.226 2.423 1.00 0.00 H new ATOM 571 N MET A 53 -4.057 7.045 5.841 1.00 0.00 N ATOM 572 CA MET A 53 -4.605 8.351 6.194 1.00 0.00 C ATOM 573 C MET A 53 -5.694 8.775 5.212 1.00 0.00 C ATOM 574 O MET A 53 -5.461 8.849 4.006 1.00 0.00 O ATOM 575 CB MET A 53 -3.491 9.400 6.227 1.00 0.00 C ATOM 576 CG MET A 53 -3.517 10.276 7.470 1.00 0.00 C ATOM 577 SD MET A 53 -3.088 9.367 8.967 1.00 0.00 S ATOM 578 CE MET A 53 -1.421 8.841 8.579 1.00 0.00 C ATOM 0 H MET A 53 -3.047 7.036 5.701 1.00 0.00 H new ATOM 0 HA MET A 53 -5.052 8.272 7.185 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.526 8.896 6.168 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.574 10.034 5.344 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.821 11.105 7.341 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.511 10.709 7.584 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.857 8.708 9.502 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.455 7.897 8.035 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.935 9.598 7.963 1.00 0.00 H new ATOM 588 N HIS A 54 -6.881 9.057 5.738 1.00 0.00 N ATOM 589 CA HIS A 54 -8.003 9.479 4.911 1.00 0.00 C ATOM 590 C HIS A 54 -7.868 10.950 4.530 1.00 0.00 C ATOM 591 O HIS A 54 -8.351 11.832 5.240 1.00 0.00 O ATOM 592 CB HIS A 54 -9.327 9.245 5.643 1.00 0.00 C ATOM 593 CG HIS A 54 -9.958 7.924 5.328 1.00 0.00 C ATOM 594 ND1 HIS A 54 -11.318 7.703 5.397 1.00 0.00 N ATOM 595 CD2 HIS A 54 -9.407 6.750 4.939 1.00 0.00 C ATOM 596 CE1 HIS A 54 -11.575 6.451 5.064 1.00 0.00 C ATOM 597 NE2 HIS A 54 -10.433 5.852 4.783 1.00 0.00 N ATOM 0 H HIS A 54 -7.090 9.001 6.735 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.996 8.882 3.999 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.155 9.310 6.717 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.023 10.042 5.383 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -8.356 6.556 4.781 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.553 5.995 5.028 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -10.330 4.879 4.496 1.00 0.00 H new ATOM 606 N GLY A 55 -7.201 11.203 3.410 1.00 0.00 N ATOM 607 CA GLY A 55 -7.004 12.566 2.955 1.00 0.00 C ATOM 608 C GLY A 55 -5.538 12.955 2.899 1.00 0.00 C ATOM 609 O GLY A 55 -5.209 14.136 2.777 1.00 0.00 O ATOM 0 H GLY A 55 -6.793 10.488 2.808 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.445 12.682 1.965 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.532 13.248 3.622 1.00 0.00 H new ATOM 613 N GLY A 56 -4.655 11.963 2.983 1.00 0.00 N ATOM 614 CA GLY A 56 -3.230 12.232 2.938 1.00 0.00 C ATOM 615 C GLY A 56 -2.623 11.896 1.588 1.00 0.00 C ATOM 616 O GLY A 56 -3.345 11.741 0.605 1.00 0.00 O ATOM 0 H GLY A 56 -4.902 10.978 3.081 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.054 13.284 3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.729 11.653 3.714 1.00 0.00 H new ATOM 620 N PRO A 57 -1.287 11.780 1.508 1.00 0.00 N ATOM 621 CA PRO A 57 -0.593 11.462 0.254 1.00 0.00 C ATOM 622 C PRO A 57 -1.091 10.169 -0.383 1.00 0.00 C ATOM 623 O PRO A 57 -1.431 10.144 -1.566 1.00 0.00 O ATOM 624 CB PRO A 57 0.872 11.323 0.678 1.00 0.00 C ATOM 625 CG PRO A 57 0.977 12.114 1.936 1.00 0.00 C ATOM 626 CD PRO A 57 -0.346 11.957 2.628 1.00 0.00 C ATOM 0 HA PRO A 57 -0.760 12.228 -0.503 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.139 10.279 0.843 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.545 11.707 -0.089 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.791 11.748 2.561 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.185 13.162 1.723 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.351 11.098 3.299 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.594 12.832 3.229 1.00 0.00 H new ATOM 634 N ALA A 58 -1.130 9.097 0.402 1.00 0.00 N ATOM 635 CA ALA A 58 -1.585 7.809 -0.099 1.00 0.00 C ATOM 636 C ALA A 58 -3.007 7.903 -0.639 1.00 0.00 C ATOM 637 O ALA A 58 -3.288 7.461 -1.752 1.00 0.00 O ATOM 638 CB ALA A 58 -1.502 6.754 0.992 1.00 0.00 C ATOM 0 H ALA A 58 -0.853 9.096 1.384 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.929 7.516 -0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.846 5.797 0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.469 6.658 1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.131 7.049 1.832 1.00 0.00 H new ATOM 644 N GLU A 59 -3.897 8.491 0.153 1.00 0.00 N ATOM 645 CA GLU A 59 -5.284 8.652 -0.254 1.00 0.00 C ATOM 646 C GLU A 59 -5.391 9.677 -1.376 1.00 0.00 C ATOM 647 O GLU A 59 -6.301 9.624 -2.204 1.00 0.00 O ATOM 648 CB GLU A 59 -6.137 9.092 0.935 1.00 0.00 C ATOM 649 CG GLU A 59 -7.613 9.205 0.607 1.00 0.00 C ATOM 650 CD GLU A 59 -8.493 8.485 1.611 1.00 0.00 C ATOM 651 OE1 GLU A 59 -8.327 7.258 1.775 1.00 0.00 O ATOM 652 OE2 GLU A 59 -9.348 9.149 2.234 1.00 0.00 O ATOM 0 H GLU A 59 -3.681 8.863 1.078 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.651 7.692 -0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.007 8.380 1.750 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.777 10.056 1.294 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.894 10.258 0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.792 8.795 -0.387 1.00 0.00 H new ATOM 659 N LYS A 60 -4.449 10.609 -1.386 1.00 0.00 N ATOM 660 CA LYS A 60 -4.411 11.660 -2.388 1.00 0.00 C ATOM 661 C LYS A 60 -4.174 11.079 -3.777 1.00 0.00 C ATOM 662 O LYS A 60 -4.876 11.415 -4.732 1.00 0.00 O ATOM 663 CB LYS A 60 -3.323 12.677 -2.049 1.00 0.00 C ATOM 664 CG LYS A 60 -3.832 13.857 -1.236 1.00 0.00 C ATOM 665 CD LYS A 60 -2.746 14.431 -0.343 1.00 0.00 C ATOM 666 CE LYS A 60 -2.002 15.567 -1.028 1.00 0.00 C ATOM 667 NZ LYS A 60 -1.502 16.572 -0.049 1.00 0.00 N ATOM 0 H LYS A 60 -3.693 10.657 -0.702 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.377 12.164 -2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.530 12.178 -1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.880 13.046 -2.974 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.198 14.632 -1.909 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.677 13.541 -0.625 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.190 14.793 0.584 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.042 13.644 -0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.163 15.162 -1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.664 16.055 -1.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.001 17.330 -0.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.305 16.977 0.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.851 16.112 0.619 1.00 0.00 H new ATOM 681 N SER A 61 -3.179 10.205 -3.883 1.00 0.00 N ATOM 682 CA SER A 61 -2.845 9.570 -5.152 1.00 0.00 C ATOM 683 C SER A 61 -4.081 8.955 -5.797 1.00 0.00 C ATOM 684 O SER A 61 -4.260 9.026 -7.012 1.00 0.00 O ATOM 685 CB SER A 61 -1.780 8.492 -4.939 1.00 0.00 C ATOM 686 OG SER A 61 -2.317 7.373 -4.255 1.00 0.00 O ATOM 0 H SER A 61 -2.588 9.920 -3.102 1.00 0.00 H new ATOM 0 HA SER A 61 -2.453 10.336 -5.820 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.380 8.176 -5.903 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.948 8.906 -4.369 1.00 0.00 H new ATOM 0 HG SER A 61 -2.693 7.663 -3.398 1.00 0.00 H new ATOM 692 N GLY A 62 -4.927 8.349 -4.974 1.00 0.00 N ATOM 693 CA GLY A 62 -6.134 7.724 -5.479 1.00 0.00 C ATOM 694 C GLY A 62 -5.862 6.349 -6.057 1.00 0.00 C ATOM 695 O GLY A 62 -6.620 5.859 -6.896 1.00 0.00 O ATOM 0 H GLY A 62 -4.799 8.279 -3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.864 7.641 -4.673 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.577 8.359 -6.246 1.00 0.00 H new ATOM 699 N LYS A 63 -4.777 5.728 -5.607 1.00 0.00 N ATOM 700 CA LYS A 63 -4.399 4.403 -6.080 1.00 0.00 C ATOM 701 C LYS A 63 -4.330 3.417 -4.922 1.00 0.00 C ATOM 702 O LYS A 63 -4.936 2.345 -4.965 1.00 0.00 O ATOM 703 CB LYS A 63 -3.040 4.443 -6.790 1.00 0.00 C ATOM 704 CG LYS A 63 -2.705 5.780 -7.436 1.00 0.00 C ATOM 705 CD LYS A 63 -3.333 5.906 -8.814 1.00 0.00 C ATOM 706 CE LYS A 63 -3.818 7.322 -9.077 1.00 0.00 C ATOM 707 NZ LYS A 63 -4.052 7.568 -10.526 1.00 0.00 N ATOM 0 H LYS A 63 -4.143 6.123 -4.913 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.162 4.076 -6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.260 4.196 -6.069 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.022 3.669 -7.557 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.057 6.591 -6.799 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.623 5.885 -7.517 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.605 5.622 -9.574 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.169 5.212 -8.899 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.741 7.498 -8.525 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.082 8.033 -8.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.382 8.545 -10.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.165 7.425 -11.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.773 6.906 -10.878 1.00 0.00 H new ATOM 721 N LEU A 64 -3.575 3.784 -3.892 1.00 0.00 N ATOM 722 CA LEU A 64 -3.413 2.932 -2.724 1.00 0.00 C ATOM 723 C LEU A 64 -4.627 3.001 -1.809 1.00 0.00 C ATOM 724 O LEU A 64 -4.972 4.063 -1.290 1.00 0.00 O ATOM 725 CB LEU A 64 -2.156 3.326 -1.947 1.00 0.00 C ATOM 726 CG LEU A 64 -0.852 2.720 -2.467 1.00 0.00 C ATOM 727 CD1 LEU A 64 0.292 3.022 -1.513 1.00 0.00 C ATOM 728 CD2 LEU A 64 -0.996 1.217 -2.667 1.00 0.00 C ATOM 0 H LEU A 64 -3.066 4.667 -3.844 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.312 1.906 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.065 4.412 -1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.285 3.031 -0.906 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.627 3.172 -3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.212 2.583 -1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.415 4.101 -1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.070 2.598 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.056 0.808 -3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.248 0.746 -1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.787 1.020 -3.390 1.00 0.00 H new ATOM 740 N ASN A 65 -5.261 1.853 -1.607 1.00 0.00 N ATOM 741 CA ASN A 65 -6.430 1.762 -0.745 1.00 0.00 C ATOM 742 C ASN A 65 -6.237 0.661 0.291 1.00 0.00 C ATOM 743 O ASN A 65 -5.812 -0.445 -0.046 1.00 0.00 O ATOM 744 CB ASN A 65 -7.686 1.488 -1.574 1.00 0.00 C ATOM 745 CG ASN A 65 -7.603 0.180 -2.335 1.00 0.00 C ATOM 746 OD1 ASN A 65 -6.802 0.159 -3.394 1.00 0.00 O flip ATOM 747 ND2 ASN A 65 -8.251 -0.804 -1.975 1.00 0.00 N flip ATOM 0 H ASN A 65 -4.983 0.968 -2.031 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.553 2.714 -0.229 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.555 1.468 -0.916 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.839 2.306 -2.278 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.855 -0.745 -1.155 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.184 -1.678 -2.497 1.00 0.00 H new ATOM 754 N ILE A 66 -6.544 0.971 1.552 1.00 0.00 N ATOM 755 CA ILE A 66 -6.405 0.016 2.649 1.00 0.00 C ATOM 756 C ILE A 66 -6.666 -1.420 2.188 1.00 0.00 C ATOM 757 O ILE A 66 -7.764 -1.752 1.739 1.00 0.00 O ATOM 758 CB ILE A 66 -7.347 0.379 3.811 1.00 0.00 C ATOM 759 CG1 ILE A 66 -6.751 1.547 4.593 1.00 0.00 C ATOM 760 CG2 ILE A 66 -7.579 -0.815 4.726 1.00 0.00 C ATOM 761 CD1 ILE A 66 -7.528 1.902 5.834 1.00 0.00 C ATOM 0 H ILE A 66 -6.894 1.885 1.839 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.374 0.073 2.998 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.315 0.670 3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.727 1.300 4.874 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.702 2.421 3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.248 -0.527 5.537 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.028 -1.628 4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.627 -1.146 5.141 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.046 2.740 6.338 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -8.545 2.181 5.559 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.556 1.043 6.504 1.00 0.00 H new ATOM 773 N GLY A 67 -5.639 -2.255 2.289 1.00 0.00 N ATOM 774 CA GLY A 67 -5.755 -3.638 1.867 1.00 0.00 C ATOM 775 C GLY A 67 -4.945 -3.924 0.613 1.00 0.00 C ATOM 776 O GLY A 67 -5.000 -5.024 0.067 1.00 0.00 O ATOM 0 H GLY A 67 -4.724 -1.997 2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.419 -4.291 2.672 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.803 -3.873 1.682 1.00 0.00 H new ATOM 780 N ASP A 68 -4.192 -2.923 0.160 1.00 0.00 N ATOM 781 CA ASP A 68 -3.364 -3.056 -1.033 1.00 0.00 C ATOM 782 C ASP A 68 -2.061 -3.778 -0.709 1.00 0.00 C ATOM 783 O ASP A 68 -1.344 -3.399 0.218 1.00 0.00 O ATOM 784 CB ASP A 68 -3.082 -1.678 -1.623 1.00 0.00 C ATOM 785 CG ASP A 68 -3.984 -1.363 -2.800 1.00 0.00 C ATOM 786 OD1 ASP A 68 -4.423 -2.313 -3.483 1.00 0.00 O ATOM 787 OD2 ASP A 68 -4.251 -0.167 -3.041 1.00 0.00 O ATOM 0 H ASP A 68 -4.140 -2.007 0.605 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.904 -3.652 -1.769 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.216 -0.920 -0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.041 -1.627 -1.942 1.00 0.00 H new ATOM 792 N GLN A 69 -1.760 -4.824 -1.474 1.00 0.00 N ATOM 793 CA GLN A 69 -0.546 -5.599 -1.259 1.00 0.00 C ATOM 794 C GLN A 69 0.648 -4.930 -1.933 1.00 0.00 C ATOM 795 O GLN A 69 1.023 -5.283 -3.050 1.00 0.00 O ATOM 796 CB GLN A 69 -0.722 -7.023 -1.788 1.00 0.00 C ATOM 797 CG GLN A 69 -0.194 -8.091 -0.845 1.00 0.00 C ATOM 798 CD GLN A 69 1.294 -7.962 -0.589 1.00 0.00 C ATOM 799 OE1 GLN A 69 1.809 -6.860 -0.395 1.00 0.00 O ATOM 800 NE2 GLN A 69 1.995 -9.089 -0.586 1.00 0.00 N ATOM 0 H GLN A 69 -2.340 -5.152 -2.246 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.356 -5.644 -0.187 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.781 -7.205 -1.973 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.211 -7.111 -2.747 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.728 -8.029 0.103 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.402 -9.075 -1.264 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.528 -9.981 -0.751 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.001 -9.064 -0.418 1.00 0.00 H new ATOM 809 N ILE A 70 1.235 -3.961 -1.243 1.00 0.00 N ATOM 810 CA ILE A 70 2.384 -3.234 -1.769 1.00 0.00 C ATOM 811 C ILE A 70 3.568 -4.171 -1.995 1.00 0.00 C ATOM 812 O ILE A 70 3.775 -5.116 -1.235 1.00 0.00 O ATOM 813 CB ILE A 70 2.807 -2.091 -0.824 1.00 0.00 C ATOM 814 CG1 ILE A 70 1.566 -1.394 -0.242 1.00 0.00 C ATOM 815 CG2 ILE A 70 3.699 -1.101 -1.562 1.00 0.00 C ATOM 816 CD1 ILE A 70 1.843 -0.019 0.339 1.00 0.00 C ATOM 0 H ILE A 70 0.934 -3.659 -0.316 1.00 0.00 H new ATOM 0 HA ILE A 70 2.081 -2.805 -2.724 1.00 0.00 H new ATOM 0 HB ILE A 70 3.379 -2.508 0.005 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.814 -1.301 -1.025 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.139 -2.026 0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.991 -0.299 -0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.591 -1.614 -1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.155 -0.681 -2.408 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.917 0.405 0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.571 -0.105 1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.240 0.632 -0.440 1.00 0.00 H new ATOM 828 N MET A 71 4.334 -3.913 -3.054 1.00 0.00 N ATOM 829 CA MET A 71 5.485 -4.751 -3.383 1.00 0.00 C ATOM 830 C MET A 71 6.803 -4.000 -3.210 1.00 0.00 C ATOM 831 O MET A 71 7.802 -4.587 -2.794 1.00 0.00 O ATOM 832 CB MET A 71 5.371 -5.270 -4.817 1.00 0.00 C ATOM 833 CG MET A 71 4.389 -6.422 -4.966 1.00 0.00 C ATOM 834 SD MET A 71 4.877 -7.877 -4.021 1.00 0.00 S ATOM 835 CE MET A 71 3.421 -8.128 -3.009 1.00 0.00 C ATOM 0 H MET A 71 4.179 -3.135 -3.695 1.00 0.00 H new ATOM 0 HA MET A 71 5.484 -5.592 -2.689 1.00 0.00 H new ATOM 0 HB2 MET A 71 5.062 -4.452 -5.468 1.00 0.00 H new ATOM 0 HB3 MET A 71 6.354 -5.594 -5.157 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.401 -6.097 -4.640 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.305 -6.689 -6.019 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.632 -8.878 -2.247 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.146 -7.189 -2.528 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.597 -8.469 -3.635 1.00 0.00 H new ATOM 845 N SER A 72 6.817 -2.708 -3.534 1.00 0.00 N ATOM 846 CA SER A 72 8.036 -1.914 -3.408 1.00 0.00 C ATOM 847 C SER A 72 7.721 -0.421 -3.360 1.00 0.00 C ATOM 848 O SER A 72 6.646 0.005 -3.778 1.00 0.00 O ATOM 849 CB SER A 72 8.980 -2.206 -4.576 1.00 0.00 C ATOM 850 OG SER A 72 8.526 -1.587 -5.767 1.00 0.00 O ATOM 0 H SER A 72 6.007 -2.194 -3.882 1.00 0.00 H new ATOM 0 HA SER A 72 8.521 -2.192 -2.472 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.981 -1.849 -4.336 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.053 -3.283 -4.728 1.00 0.00 H new ATOM 0 HG SER A 72 9.148 -1.788 -6.497 1.00 0.00 H new ATOM 856 N ILE A 73 8.664 0.367 -2.847 1.00 0.00 N ATOM 857 CA ILE A 73 8.481 1.811 -2.743 1.00 0.00 C ATOM 858 C ILE A 73 9.641 2.575 -3.373 1.00 0.00 C ATOM 859 O ILE A 73 10.799 2.384 -3.001 1.00 0.00 O ATOM 860 CB ILE A 73 8.321 2.248 -1.278 1.00 0.00 C ATOM 861 CG1 ILE A 73 7.158 1.494 -0.642 1.00 0.00 C ATOM 862 CG2 ILE A 73 8.100 3.753 -1.185 1.00 0.00 C ATOM 863 CD1 ILE A 73 7.380 1.170 0.812 1.00 0.00 C ATOM 0 H ILE A 73 9.561 0.029 -2.498 1.00 0.00 H new ATOM 0 HA ILE A 73 7.569 2.049 -3.290 1.00 0.00 H new ATOM 0 HB ILE A 73 9.237 2.010 -0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.251 2.091 -0.739 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.991 0.568 -1.192 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.989 4.041 -0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.955 4.274 -1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.197 4.023 -1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.515 0.634 1.202 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.269 0.547 0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.517 2.094 1.374 1.00 0.00 H new ATOM 875 N ASN A 74 9.319 3.447 -4.326 1.00 0.00 N ATOM 876 CA ASN A 74 10.327 4.252 -5.013 1.00 0.00 C ATOM 877 C ASN A 74 11.519 3.399 -5.442 1.00 0.00 C ATOM 878 O ASN A 74 12.645 3.890 -5.531 1.00 0.00 O ATOM 879 CB ASN A 74 10.798 5.393 -4.107 1.00 0.00 C ATOM 880 CG ASN A 74 10.237 6.737 -4.530 1.00 0.00 C ATOM 881 OD1 ASN A 74 9.958 6.961 -5.707 1.00 0.00 O ATOM 882 ND2 ASN A 74 10.068 7.636 -3.568 1.00 0.00 N ATOM 0 H ASN A 74 8.364 3.615 -4.641 1.00 0.00 H new ATOM 0 HA ASN A 74 9.870 4.670 -5.910 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.499 5.185 -3.080 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.887 5.437 -4.119 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.692 8.558 -3.792 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.314 7.405 -2.605 1.00 0.00 H new ATOM 889 N GLY A 75 11.264 2.123 -5.705 1.00 0.00 N ATOM 890 CA GLY A 75 12.325 1.225 -6.120 1.00 0.00 C ATOM 891 C GLY A 75 12.877 0.403 -4.972 1.00 0.00 C ATOM 892 O GLY A 75 13.964 -0.165 -5.074 1.00 0.00 O ATOM 0 H GLY A 75 10.341 1.694 -5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.947 0.555 -6.893 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.132 1.805 -6.568 1.00 0.00 H new ATOM 896 N THR A 76 12.127 0.332 -3.874 1.00 0.00 N ATOM 897 CA THR A 76 12.550 -0.431 -2.709 1.00 0.00 C ATOM 898 C THR A 76 11.661 -1.654 -2.518 1.00 0.00 C ATOM 899 O THR A 76 10.585 -1.567 -1.925 1.00 0.00 O ATOM 900 CB THR A 76 12.509 0.443 -1.458 1.00 0.00 C ATOM 901 OG1 THR A 76 13.035 1.730 -1.729 1.00 0.00 O ATOM 902 CG2 THR A 76 13.286 -0.136 -0.296 1.00 0.00 C ATOM 0 H THR A 76 11.224 0.795 -3.770 1.00 0.00 H new ATOM 0 HA THR A 76 13.574 -0.766 -2.873 1.00 0.00 H new ATOM 0 HB THR A 76 11.457 0.497 -1.178 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.378 2.252 -2.235 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.215 0.535 0.560 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.872 -1.108 -0.030 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.332 -0.253 -0.580 1.00 0.00 H new ATOM 910 N SER A 77 12.115 -2.792 -3.030 1.00 0.00 N ATOM 911 CA SER A 77 11.359 -4.034 -2.926 1.00 0.00 C ATOM 912 C SER A 77 11.065 -4.383 -1.472 1.00 0.00 C ATOM 913 O SER A 77 11.976 -4.495 -0.651 1.00 0.00 O ATOM 914 CB SER A 77 12.125 -5.178 -3.591 1.00 0.00 C ATOM 915 OG SER A 77 11.903 -5.195 -4.991 1.00 0.00 O ATOM 0 H SER A 77 13.004 -2.880 -3.522 1.00 0.00 H new ATOM 0 HA SER A 77 10.409 -3.890 -3.441 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.191 -5.071 -3.390 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.813 -6.129 -3.159 1.00 0.00 H new ATOM 0 HG SER A 77 12.405 -5.934 -5.393 1.00 0.00 H new ATOM 921 N LEU A 78 9.784 -4.560 -1.165 1.00 0.00 N ATOM 922 CA LEU A 78 9.357 -4.905 0.184 1.00 0.00 C ATOM 923 C LEU A 78 9.138 -6.407 0.316 1.00 0.00 C ATOM 924 O LEU A 78 8.418 -6.864 1.204 1.00 0.00 O ATOM 925 CB LEU A 78 8.066 -4.170 0.535 1.00 0.00 C ATOM 926 CG LEU A 78 8.193 -2.652 0.637 1.00 0.00 C ATOM 927 CD1 LEU A 78 6.821 -2.002 0.562 1.00 0.00 C ATOM 928 CD2 LEU A 78 8.903 -2.268 1.925 1.00 0.00 C ATOM 0 H LEU A 78 9.021 -4.469 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 78 10.145 -4.602 0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.315 -4.407 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.695 -4.553 1.486 1.00 0.00 H new ATOM 0 HG LEU A 78 8.788 -2.292 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.927 -0.920 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.349 -2.257 -0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.202 -2.363 1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.987 -1.183 1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.333 -2.635 2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.899 -2.710 1.937 1.00 0.00 H new ATOM 940 N VAL A 79 9.752 -7.169 -0.580 1.00 0.00 N ATOM 941 CA VAL A 79 9.614 -8.616 -0.571 1.00 0.00 C ATOM 942 C VAL A 79 10.731 -9.273 0.230 1.00 0.00 C ATOM 943 O VAL A 79 11.897 -9.227 -0.160 1.00 0.00 O ATOM 944 CB VAL A 79 9.636 -9.187 -2.002 1.00 0.00 C ATOM 945 CG1 VAL A 79 9.025 -10.579 -2.031 1.00 0.00 C ATOM 946 CG2 VAL A 79 8.916 -8.259 -2.977 1.00 0.00 C ATOM 0 H VAL A 79 10.351 -6.807 -1.322 1.00 0.00 H new ATOM 0 HA VAL A 79 8.654 -8.837 -0.105 1.00 0.00 H new ATOM 0 HB VAL A 79 10.676 -9.261 -2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 79 9.049 -10.966 -3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.595 -11.240 -1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.992 -10.530 -1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 79 8.948 -8.688 -3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 79 7.878 -8.139 -2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 79 9.407 -7.286 -2.983 1.00 0.00 H new ATOM 956 N GLY A 80 10.369 -9.896 1.347 1.00 0.00 N ATOM 957 CA GLY A 80 11.358 -10.564 2.172 1.00 0.00 C ATOM 958 C GLY A 80 11.730 -9.780 3.415 1.00 0.00 C ATOM 959 O GLY A 80 12.165 -10.360 4.409 1.00 0.00 O ATOM 0 H GLY A 80 9.412 -9.950 1.695 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.975 -11.540 2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.256 -10.740 1.580 1.00 0.00 H new ATOM 963 N LEU A 81 11.564 -8.460 3.370 1.00 0.00 N ATOM 964 CA LEU A 81 11.901 -7.623 4.519 1.00 0.00 C ATOM 965 C LEU A 81 10.750 -7.586 5.524 1.00 0.00 C ATOM 966 O LEU A 81 9.580 -7.562 5.139 1.00 0.00 O ATOM 967 CB LEU A 81 12.266 -6.198 4.086 1.00 0.00 C ATOM 968 CG LEU A 81 11.523 -5.661 2.862 1.00 0.00 C ATOM 969 CD1 LEU A 81 11.357 -4.151 2.963 1.00 0.00 C ATOM 970 CD2 LEU A 81 12.265 -6.034 1.588 1.00 0.00 C ATOM 0 H LEU A 81 11.203 -7.952 2.562 1.00 0.00 H new ATOM 0 HA LEU A 81 12.772 -8.068 5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.080 -5.526 4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.336 -6.164 3.881 1.00 0.00 H new ATOM 0 HG LEU A 81 10.532 -6.114 2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 81 10.826 -3.784 2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.787 -3.907 3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.338 -3.680 3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.724 -5.645 0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.267 -5.606 1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.336 -7.119 1.513 1.00 0.00 H new ATOM 982 N PRO A 82 11.070 -7.587 6.830 1.00 0.00 N ATOM 983 CA PRO A 82 10.059 -7.559 7.893 1.00 0.00 C ATOM 984 C PRO A 82 9.310 -6.233 7.949 1.00 0.00 C ATOM 985 O PRO A 82 9.568 -5.327 7.156 1.00 0.00 O ATOM 986 CB PRO A 82 10.877 -7.761 9.172 1.00 0.00 C ATOM 987 CG PRO A 82 12.245 -7.288 8.828 1.00 0.00 C ATOM 988 CD PRO A 82 12.441 -7.619 7.375 1.00 0.00 C ATOM 0 HA PRO A 82 9.290 -8.315 7.738 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.459 -7.192 10.003 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.885 -8.808 9.475 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.343 -6.216 9.001 1.00 0.00 H new ATOM 0 HG3 PRO A 82 12.996 -7.781 9.446 1.00 0.00 H new ATOM 0 HD2 PRO A 82 13.087 -6.893 6.881 1.00 0.00 H new ATOM 0 HD3 PRO A 82 12.903 -8.598 7.244 1.00 0.00 H new ATOM 996 N LEU A 83 8.381 -6.126 8.894 1.00 0.00 N ATOM 997 CA LEU A 83 7.590 -4.912 9.055 1.00 0.00 C ATOM 998 C LEU A 83 8.465 -3.744 9.497 1.00 0.00 C ATOM 999 O LEU A 83 8.197 -2.592 9.156 1.00 0.00 O ATOM 1000 CB LEU A 83 6.472 -5.138 10.072 1.00 0.00 C ATOM 1001 CG LEU A 83 5.601 -3.913 10.357 1.00 0.00 C ATOM 1002 CD1 LEU A 83 4.591 -3.707 9.240 1.00 0.00 C ATOM 1003 CD2 LEU A 83 4.898 -4.058 11.697 1.00 0.00 C ATOM 0 H LEU A 83 8.158 -6.866 9.560 1.00 0.00 H new ATOM 0 HA LEU A 83 7.150 -4.666 8.089 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.832 -5.945 9.713 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.916 -5.476 11.009 1.00 0.00 H new ATOM 0 HG LEU A 83 6.245 -3.035 10.403 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.980 -2.831 9.459 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.117 -3.556 8.297 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.951 -4.586 9.162 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.283 -3.177 11.883 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.265 -4.946 11.682 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.641 -4.155 12.489 1.00 0.00 H new ATOM 1015 N SER A 84 9.513 -4.046 10.258 1.00 0.00 N ATOM 1016 CA SER A 84 10.426 -3.017 10.743 1.00 0.00 C ATOM 1017 C SER A 84 11.008 -2.216 9.583 1.00 0.00 C ATOM 1018 O SER A 84 11.054 -0.986 9.623 1.00 0.00 O ATOM 1019 CB SER A 84 11.555 -3.651 11.560 1.00 0.00 C ATOM 1020 OG SER A 84 12.510 -2.679 11.949 1.00 0.00 O ATOM 0 H SER A 84 9.750 -4.994 10.552 1.00 0.00 H new ATOM 0 HA SER A 84 9.862 -2.338 11.382 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.141 -4.133 12.445 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.042 -4.429 10.971 1.00 0.00 H new ATOM 0 HG SER A 84 13.220 -3.108 12.471 1.00 0.00 H new ATOM 1026 N THR A 85 11.448 -2.924 8.548 1.00 0.00 N ATOM 1027 CA THR A 85 12.025 -2.282 7.374 1.00 0.00 C ATOM 1028 C THR A 85 10.965 -1.497 6.607 1.00 0.00 C ATOM 1029 O THR A 85 11.175 -0.340 6.249 1.00 0.00 O ATOM 1030 CB THR A 85 12.662 -3.323 6.459 1.00 0.00 C ATOM 1031 OG1 THR A 85 13.367 -4.291 7.216 1.00 0.00 O ATOM 1032 CG2 THR A 85 13.628 -2.730 5.456 1.00 0.00 C ATOM 0 H THR A 85 11.416 -3.942 8.499 1.00 0.00 H new ATOM 0 HA THR A 85 12.793 -1.587 7.713 1.00 0.00 H new ATOM 0 HB THR A 85 11.833 -3.774 5.915 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.896 -4.855 6.614 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.044 -3.525 4.838 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.102 -2.016 4.823 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.434 -2.221 5.984 1.00 0.00 H new ATOM 1040 N CYS A 86 9.824 -2.136 6.364 1.00 0.00 N ATOM 1041 CA CYS A 86 8.727 -1.499 5.639 1.00 0.00 C ATOM 1042 C CYS A 86 8.290 -0.216 6.333 1.00 0.00 C ATOM 1043 O CYS A 86 8.236 0.847 5.713 1.00 0.00 O ATOM 1044 CB CYS A 86 7.543 -2.462 5.520 1.00 0.00 C ATOM 1045 SG CYS A 86 7.999 -4.138 5.008 1.00 0.00 S ATOM 0 H CYS A 86 9.634 -3.094 6.658 1.00 0.00 H new ATOM 0 HA CYS A 86 9.081 -1.245 4.640 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.033 -2.514 6.482 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.830 -2.056 4.803 1.00 0.00 H new ATOM 0 HG CYS A 86 8.808 -4.654 5.885 1.00 0.00 H new ATOM 1051 N GLN A 87 7.988 -0.313 7.624 1.00 0.00 N ATOM 1052 CA GLN A 87 7.569 0.849 8.398 1.00 0.00 C ATOM 1053 C GLN A 87 8.611 1.956 8.304 1.00 0.00 C ATOM 1054 O GLN A 87 8.274 3.135 8.190 1.00 0.00 O ATOM 1055 CB GLN A 87 7.344 0.464 9.861 1.00 0.00 C ATOM 1056 CG GLN A 87 6.247 -0.570 10.056 1.00 0.00 C ATOM 1057 CD GLN A 87 4.859 0.040 10.022 1.00 0.00 C ATOM 1058 OE1 GLN A 87 4.398 0.394 8.828 1.00 0.00 O flip ATOM 1059 NE2 GLN A 87 4.207 0.189 11.055 1.00 0.00 N flip ATOM 0 H GLN A 87 8.026 -1.183 8.155 1.00 0.00 H new ATOM 0 HA GLN A 87 6.630 1.216 7.984 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.275 0.076 10.273 1.00 0.00 H new ATOM 0 HB3 GLN A 87 7.093 1.360 10.429 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.326 -1.329 9.278 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.395 -1.076 11.010 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.600 -0.097 11.952 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.274 0.599 11.014 1.00 0.00 H new ATOM 1068 N SER A 88 9.880 1.565 8.350 1.00 0.00 N ATOM 1069 CA SER A 88 10.975 2.516 8.269 1.00 0.00 C ATOM 1070 C SER A 88 11.025 3.175 6.894 1.00 0.00 C ATOM 1071 O SER A 88 11.453 4.322 6.763 1.00 0.00 O ATOM 1072 CB SER A 88 12.308 1.827 8.572 1.00 0.00 C ATOM 1073 OG SER A 88 12.849 1.226 7.407 1.00 0.00 O ATOM 0 H SER A 88 10.173 0.592 8.443 1.00 0.00 H new ATOM 0 HA SER A 88 10.802 3.291 9.015 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.015 2.555 8.971 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.162 1.069 9.342 1.00 0.00 H new ATOM 0 HG SER A 88 12.131 0.795 6.898 1.00 0.00 H new ATOM 1079 N ILE A 89 10.572 2.452 5.875 1.00 0.00 N ATOM 1080 CA ILE A 89 10.555 2.980 4.524 1.00 0.00 C ATOM 1081 C ILE A 89 9.508 4.075 4.422 1.00 0.00 C ATOM 1082 O ILE A 89 9.767 5.151 3.889 1.00 0.00 O ATOM 1083 CB ILE A 89 10.261 1.867 3.489 1.00 0.00 C ATOM 1084 CG1 ILE A 89 11.455 0.907 3.404 1.00 0.00 C ATOM 1085 CG2 ILE A 89 9.943 2.467 2.123 1.00 0.00 C ATOM 1086 CD1 ILE A 89 11.521 0.112 2.115 1.00 0.00 C ATOM 0 H ILE A 89 10.213 1.501 5.963 1.00 0.00 H new ATOM 0 HA ILE A 89 11.540 3.391 4.302 1.00 0.00 H new ATOM 0 HB ILE A 89 9.385 1.306 3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.376 1.480 3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.410 0.214 4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.740 1.666 1.412 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.068 3.111 2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.794 3.053 1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.393 -0.542 2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 89 10.618 -0.490 2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 89 11.599 0.796 1.270 1.00 0.00 H new ATOM 1098 N ILE A 90 8.328 3.798 4.961 1.00 0.00 N ATOM 1099 CA ILE A 90 7.242 4.762 4.948 1.00 0.00 C ATOM 1100 C ILE A 90 7.629 6.011 5.729 1.00 0.00 C ATOM 1101 O ILE A 90 7.311 7.131 5.328 1.00 0.00 O ATOM 1102 CB ILE A 90 5.956 4.174 5.547 1.00 0.00 C ATOM 1103 CG1 ILE A 90 5.693 2.787 4.952 1.00 0.00 C ATOM 1104 CG2 ILE A 90 4.787 5.119 5.298 1.00 0.00 C ATOM 1105 CD1 ILE A 90 4.301 2.247 5.221 1.00 0.00 C ATOM 0 H ILE A 90 8.101 2.912 5.412 1.00 0.00 H new ATOM 0 HA ILE A 90 7.054 5.021 3.906 1.00 0.00 H new ATOM 0 HB ILE A 90 6.072 4.062 6.625 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.851 2.831 3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.426 2.087 5.354 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.879 4.695 5.726 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.992 6.082 5.765 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.653 5.257 4.225 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.199 1.262 4.766 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.143 2.168 6.297 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.560 2.923 4.794 1.00 0.00 H new ATOM 1117 N LYS A 91 8.328 5.810 6.843 1.00 0.00 N ATOM 1118 CA LYS A 91 8.766 6.923 7.673 1.00 0.00 C ATOM 1119 C LYS A 91 9.831 7.731 6.942 1.00 0.00 C ATOM 1120 O LYS A 91 9.864 8.959 7.025 1.00 0.00 O ATOM 1121 CB LYS A 91 9.310 6.414 9.009 1.00 0.00 C ATOM 1122 CG LYS A 91 8.348 6.612 10.170 1.00 0.00 C ATOM 1123 CD LYS A 91 8.032 5.298 10.868 1.00 0.00 C ATOM 1124 CE LYS A 91 6.745 4.684 10.343 1.00 0.00 C ATOM 1125 NZ LYS A 91 5.581 5.012 11.211 1.00 0.00 N ATOM 0 H LYS A 91 8.601 4.890 7.189 1.00 0.00 H new ATOM 0 HA LYS A 91 7.910 7.567 7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.543 5.353 8.917 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.245 6.928 9.231 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.781 7.310 10.887 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.425 7.062 9.805 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.856 4.600 10.721 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.944 5.467 11.941 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.557 5.044 9.332 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.858 3.602 10.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.722 4.575 10.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.749 4.646 12.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.457 6.044 11.251 1.00 0.00 H new ATOM 1139 N GLY A 92 10.696 7.029 6.214 1.00 0.00 N ATOM 1140 CA GLY A 92 11.743 7.692 5.463 1.00 0.00 C ATOM 1141 C GLY A 92 11.206 8.420 4.245 1.00 0.00 C ATOM 1142 O GLY A 92 11.927 9.180 3.600 1.00 0.00 O ATOM 0 H GLY A 92 10.689 6.012 6.132 1.00 0.00 H new ATOM 0 HA2 GLY A 92 12.257 8.402 6.110 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.482 6.956 5.147 1.00 0.00 H new ATOM 1146 N LEU A 93 9.931 8.191 3.933 1.00 0.00 N ATOM 1147 CA LEU A 93 9.292 8.834 2.790 1.00 0.00 C ATOM 1148 C LEU A 93 8.585 10.117 3.216 1.00 0.00 C ATOM 1149 O LEU A 93 7.606 10.531 2.596 1.00 0.00 O ATOM 1150 CB LEU A 93 8.285 7.884 2.141 1.00 0.00 C ATOM 1151 CG LEU A 93 8.887 6.646 1.476 1.00 0.00 C ATOM 1152 CD1 LEU A 93 7.803 5.621 1.185 1.00 0.00 C ATOM 1153 CD2 LEU A 93 9.616 7.034 0.198 1.00 0.00 C ATOM 0 H LEU A 93 9.321 7.564 4.458 1.00 0.00 H new ATOM 0 HA LEU A 93 10.068 9.085 2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.576 7.558 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.718 8.438 1.393 1.00 0.00 H new ATOM 0 HG LEU A 93 9.607 6.198 2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.248 4.746 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.323 5.325 2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.060 6.057 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.039 6.142 -0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.915 7.503 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.416 7.735 0.434 1.00 0.00 H new ATOM 1165 N LYS A 94 9.078 10.736 4.283 1.00 0.00 N ATOM 1166 CA LYS A 94 8.495 11.955 4.800 1.00 0.00 C ATOM 1167 C LYS A 94 8.959 13.172 4.012 1.00 0.00 C ATOM 1168 O LYS A 94 8.213 14.133 3.848 1.00 0.00 O ATOM 1169 CB LYS A 94 8.852 12.126 6.271 1.00 0.00 C ATOM 1170 CG LYS A 94 7.909 13.056 7.004 1.00 0.00 C ATOM 1171 CD LYS A 94 8.554 13.631 8.246 1.00 0.00 C ATOM 1172 CE LYS A 94 7.963 13.031 9.512 1.00 0.00 C ATOM 1173 NZ LYS A 94 9.000 12.783 10.550 1.00 0.00 N ATOM 0 H LYS A 94 9.888 10.404 4.807 1.00 0.00 H new ATOM 0 HA LYS A 94 7.413 11.876 4.696 1.00 0.00 H new ATOM 0 HB2 LYS A 94 8.842 11.151 6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.868 12.512 6.350 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.607 13.867 6.341 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.004 12.515 7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.627 13.443 8.220 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.421 14.713 8.259 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.204 13.704 9.912 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.462 12.094 9.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.554 12.374 11.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.711 12.121 10.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.461 13.681 10.802 1.00 0.00 H new ATOM 1187 N ASN A 95 10.197 13.134 3.536 1.00 0.00 N ATOM 1188 CA ASN A 95 10.741 14.253 2.783 1.00 0.00 C ATOM 1189 C ASN A 95 11.161 13.838 1.375 1.00 0.00 C ATOM 1190 O ASN A 95 12.337 13.911 1.018 1.00 0.00 O ATOM 1191 CB ASN A 95 11.930 14.860 3.530 1.00 0.00 C ATOM 1192 CG ASN A 95 11.523 15.496 4.845 1.00 0.00 C ATOM 1193 OD1 ASN A 95 11.400 16.717 4.947 1.00 0.00 O ATOM 1194 ND2 ASN A 95 11.310 14.668 5.862 1.00 0.00 N ATOM 0 H ASN A 95 10.836 12.349 3.657 1.00 0.00 H new ATOM 0 HA ASN A 95 9.954 15.001 2.686 1.00 0.00 H new ATOM 0 HB2 ASN A 95 12.671 14.084 3.719 1.00 0.00 H new ATOM 0 HB3 ASN A 95 12.407 15.610 2.899 1.00 0.00 H new ATOM 0 HD21 ASN A 95 11.033 15.038 6.771 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.423 13.663 5.733 1.00 0.00 H new ATOM 1201 N GLN A 96 10.190 13.413 0.575 1.00 0.00 N ATOM 1202 CA GLN A 96 10.454 12.998 -0.800 1.00 0.00 C ATOM 1203 C GLN A 96 9.583 13.784 -1.770 1.00 0.00 C ATOM 1204 O GLN A 96 10.037 14.203 -2.834 1.00 0.00 O ATOM 1205 CB GLN A 96 10.187 11.502 -0.987 1.00 0.00 C ATOM 1206 CG GLN A 96 10.413 10.663 0.259 1.00 0.00 C ATOM 1207 CD GLN A 96 11.684 9.841 0.188 1.00 0.00 C ATOM 1208 OE1 GLN A 96 11.858 9.023 -0.716 1.00 0.00 O ATOM 1209 NE2 GLN A 96 12.582 10.054 1.142 1.00 0.00 N ATOM 0 H GLN A 96 9.211 13.346 0.854 1.00 0.00 H new ATOM 0 HA GLN A 96 11.505 13.198 -1.007 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.157 11.368 -1.319 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.830 11.128 -1.784 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.457 11.317 1.130 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.562 9.997 0.403 1.00 0.00 H new ATOM 0 HE21 GLN A 96 12.397 10.742 1.872 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.457 9.530 1.145 1.00 0.00 H new ATOM 1218 N SER A 97 8.320 13.968 -1.392 1.00 0.00 N ATOM 1219 CA SER A 97 7.358 14.693 -2.217 1.00 0.00 C ATOM 1220 C SER A 97 6.841 13.822 -3.362 1.00 0.00 C ATOM 1221 O SER A 97 6.042 14.275 -4.182 1.00 0.00 O ATOM 1222 CB SER A 97 7.977 15.978 -2.777 1.00 0.00 C ATOM 1223 OG SER A 97 8.753 16.641 -1.795 1.00 0.00 O ATOM 0 H SER A 97 7.937 13.622 -0.512 1.00 0.00 H new ATOM 0 HA SER A 97 6.515 14.958 -1.578 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.601 15.739 -3.638 1.00 0.00 H new ATOM 0 HB3 SER A 97 7.188 16.642 -3.130 1.00 0.00 H new ATOM 0 HG SER A 97 9.684 16.698 -2.097 1.00 0.00 H new ATOM 1229 N ARG A 98 7.292 12.569 -3.411 1.00 0.00 N ATOM 1230 CA ARG A 98 6.867 11.645 -4.456 1.00 0.00 C ATOM 1231 C ARG A 98 7.204 10.209 -4.067 1.00 0.00 C ATOM 1232 O ARG A 98 8.275 9.943 -3.522 1.00 0.00 O ATOM 1233 CB ARG A 98 7.527 12.002 -5.788 1.00 0.00 C ATOM 1234 CG ARG A 98 6.560 12.567 -6.813 1.00 0.00 C ATOM 1235 CD ARG A 98 7.107 13.821 -7.474 1.00 0.00 C ATOM 1236 NE ARG A 98 6.774 15.029 -6.721 1.00 0.00 N ATOM 1237 CZ ARG A 98 6.786 16.254 -7.243 1.00 0.00 C ATOM 1238 NH1 ARG A 98 7.122 16.438 -8.513 1.00 0.00 N ATOM 1239 NH2 ARG A 98 6.465 17.298 -6.490 1.00 0.00 N ATOM 0 H ARG A 98 7.950 12.173 -2.740 1.00 0.00 H new ATOM 0 HA ARG A 98 5.786 11.730 -4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.319 12.729 -5.608 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.000 11.111 -6.200 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.357 11.814 -7.574 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.610 12.796 -6.329 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.190 13.739 -7.566 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.706 13.902 -8.484 1.00 0.00 H new ATOM 0 HE ARG A 98 6.518 14.928 -5.739 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.373 15.639 -9.095 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.129 17.379 -8.907 1.00 0.00 H new ATOM 0 HH21 ARG A 98 6.209 17.162 -5.512 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.474 18.237 -6.889 1.00 0.00 H new ATOM 1253 N VAL A 99 6.284 9.288 -4.337 1.00 0.00 N ATOM 1254 CA VAL A 99 6.499 7.887 -3.998 1.00 0.00 C ATOM 1255 C VAL A 99 6.082 6.955 -5.129 1.00 0.00 C ATOM 1256 O VAL A 99 4.897 6.695 -5.331 1.00 0.00 O ATOM 1257 CB VAL A 99 5.735 7.492 -2.720 1.00 0.00 C ATOM 1258 CG1 VAL A 99 6.284 6.190 -2.160 1.00 0.00 C ATOM 1259 CG2 VAL A 99 5.814 8.601 -1.680 1.00 0.00 C ATOM 0 H VAL A 99 5.390 9.485 -4.786 1.00 0.00 H new ATOM 0 HA VAL A 99 7.570 7.778 -3.828 1.00 0.00 H new ATOM 0 HB VAL A 99 4.686 7.344 -2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.735 5.922 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.171 5.399 -2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.340 6.314 -1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.268 8.301 -0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.857 8.785 -1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.374 9.512 -2.085 1.00 0.00 H new ATOM 1269 N LYS A 100 7.073 6.433 -5.847 1.00 0.00 N ATOM 1270 CA LYS A 100 6.824 5.503 -6.941 1.00 0.00 C ATOM 1271 C LYS A 100 6.823 4.081 -6.404 1.00 0.00 C ATOM 1272 O LYS A 100 7.769 3.322 -6.620 1.00 0.00 O ATOM 1273 CB LYS A 100 7.900 5.642 -8.022 1.00 0.00 C ATOM 1274 CG LYS A 100 8.215 7.080 -8.391 1.00 0.00 C ATOM 1275 CD LYS A 100 8.006 7.339 -9.876 1.00 0.00 C ATOM 1276 CE LYS A 100 6.584 7.017 -10.309 1.00 0.00 C ATOM 1277 NZ LYS A 100 6.526 6.550 -11.722 1.00 0.00 N ATOM 0 H LYS A 100 8.059 6.640 -5.689 1.00 0.00 H new ATOM 0 HA LYS A 100 5.855 5.732 -7.383 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.813 5.157 -7.677 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.575 5.110 -8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.581 7.751 -7.812 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.247 7.306 -8.124 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.226 8.383 -10.098 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.707 6.736 -10.453 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.171 6.249 -9.656 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.960 7.903 -10.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.540 6.341 -11.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.897 7.293 -12.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.101 5.690 -11.827 1.00 0.00 H new ATOM 1291 N LEU A 101 5.768 3.732 -5.685 1.00 0.00 N ATOM 1292 CA LEU A 101 5.661 2.406 -5.098 1.00 0.00 C ATOM 1293 C LEU A 101 4.705 1.522 -5.891 1.00 0.00 C ATOM 1294 O LEU A 101 3.526 1.839 -6.054 1.00 0.00 O ATOM 1295 CB LEU A 101 5.238 2.508 -3.629 1.00 0.00 C ATOM 1296 CG LEU A 101 3.826 3.014 -3.386 1.00 0.00 C ATOM 1297 CD1 LEU A 101 3.390 2.693 -1.966 1.00 0.00 C ATOM 1298 CD2 LEU A 101 3.734 4.513 -3.646 1.00 0.00 C ATOM 0 H LEU A 101 4.976 4.346 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 101 6.643 1.934 -5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.335 1.523 -3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.935 3.169 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 101 3.156 2.508 -4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.377 3.061 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.413 1.614 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.067 3.174 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.714 4.852 -3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.415 5.041 -2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.007 4.720 -4.681 1.00 0.00 H new ATOM 1310 N ASN A 102 5.235 0.411 -6.388 1.00 0.00 N ATOM 1311 CA ASN A 102 4.450 -0.532 -7.168 1.00 0.00 C ATOM 1312 C ASN A 102 3.792 -1.554 -6.254 1.00 0.00 C ATOM 1313 O ASN A 102 4.470 -2.367 -5.628 1.00 0.00 O ATOM 1314 CB ASN A 102 5.333 -1.240 -8.196 1.00 0.00 C ATOM 1315 CG ASN A 102 5.352 -0.524 -9.533 1.00 0.00 C ATOM 1316 OD1 ASN A 102 4.230 -0.566 -10.243 1.00 0.00 O flip ATOM 1317 ND2 ASN A 102 6.363 0.060 -9.922 1.00 0.00 N flip ATOM 0 H ASN A 102 6.211 0.142 -6.263 1.00 0.00 H new ATOM 0 HA ASN A 102 3.673 0.020 -7.696 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.350 -1.310 -7.810 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.975 -2.260 -8.338 1.00 0.00 H new ATOM 0 HD21 ASN A 102 7.203 0.066 -9.343 1.00 0.00 H new ATOM 0 HD22 ASN A 102 6.361 0.538 -10.823 1.00 0.00 H new ATOM 1324 N ILE A 103 2.471 -1.501 -6.173 1.00 0.00 N ATOM 1325 CA ILE A 103 1.727 -2.419 -5.325 1.00 0.00 C ATOM 1326 C ILE A 103 1.004 -3.474 -6.154 1.00 0.00 C ATOM 1327 O ILE A 103 1.011 -3.423 -7.384 1.00 0.00 O ATOM 1328 CB ILE A 103 0.717 -1.668 -4.440 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -0.374 -1.016 -5.284 1.00 0.00 C ATOM 1330 CG2 ILE A 103 1.427 -0.617 -3.604 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -1.744 -1.159 -4.675 1.00 0.00 C ATOM 0 H ILE A 103 1.893 -0.833 -6.683 1.00 0.00 H new ATOM 0 HA ILE A 103 2.451 -2.918 -4.680 1.00 0.00 H new ATOM 0 HB ILE A 103 0.247 -2.393 -3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.146 0.042 -5.411 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.374 -1.463 -6.278 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.700 -0.094 -2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.168 -1.099 -2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 103 1.923 0.097 -4.262 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.480 -0.677 -5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.988 -2.216 -4.573 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.756 -0.688 -3.692 1.00 0.00 H new ATOM 1343 N VAL A 104 0.390 -4.437 -5.473 1.00 0.00 N ATOM 1344 CA VAL A 104 -0.325 -5.507 -6.153 1.00 0.00 C ATOM 1345 C VAL A 104 -1.726 -5.704 -5.582 1.00 0.00 C ATOM 1346 O VAL A 104 -1.966 -5.489 -4.391 1.00 0.00 O ATOM 1347 CB VAL A 104 0.445 -6.839 -6.062 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -0.268 -7.929 -6.848 1.00 0.00 C ATOM 1349 CG2 VAL A 104 1.873 -6.664 -6.560 1.00 0.00 C ATOM 0 H VAL A 104 0.374 -4.497 -4.455 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.409 -5.207 -7.198 1.00 0.00 H new ATOM 0 HB VAL A 104 0.480 -7.143 -5.016 1.00 0.00 H new ATOM 0 HG11 VAL A 104 0.293 -8.860 -6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.270 -8.074 -6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.339 -7.635 -7.895 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.402 -7.614 -6.489 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.858 -6.334 -7.599 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.382 -5.918 -5.950 1.00 0.00 H new ATOM 1359 N ARG A 105 -2.642 -6.122 -6.448 1.00 0.00 N ATOM 1360 CA ARG A 105 -4.024 -6.366 -6.058 1.00 0.00 C ATOM 1361 C ARG A 105 -4.470 -7.750 -6.521 1.00 0.00 C ATOM 1362 O ARG A 105 -3.892 -8.317 -7.447 1.00 0.00 O ATOM 1363 CB ARG A 105 -4.944 -5.294 -6.644 1.00 0.00 C ATOM 1364 CG ARG A 105 -5.300 -4.191 -5.659 1.00 0.00 C ATOM 1365 CD ARG A 105 -6.803 -3.970 -5.583 1.00 0.00 C ATOM 1366 NE ARG A 105 -7.430 -4.811 -4.568 1.00 0.00 N ATOM 1367 CZ ARG A 105 -8.732 -5.087 -4.534 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -9.547 -4.587 -5.454 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -9.220 -5.862 -3.575 1.00 0.00 N ATOM 0 H ARG A 105 -2.449 -6.300 -7.434 1.00 0.00 H new ATOM 0 HA ARG A 105 -4.087 -6.322 -4.971 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -4.462 -4.850 -7.515 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.862 -5.767 -6.994 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -4.919 -4.449 -4.671 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -4.810 -3.264 -5.958 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -7.004 -2.922 -5.360 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -7.250 -4.181 -6.555 1.00 0.00 H new ATOM 0 HE ARG A 105 -6.836 -5.211 -3.842 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -9.177 -3.988 -6.192 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -10.544 -4.802 -5.423 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -8.598 -6.246 -2.864 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -10.217 -6.074 -3.548 1.00 0.00 H new TER 1383 ARG A 105