USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 769 hydrogens (14 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 NoAdj-H: A 37 ALY H2 : A 37 ALY N : A 36 PHE C :(H bumps) USER MOD NoAdj-H: A 37 ALY H : A 37 ALY N : A 36 PHE C :(H bumps) USER MOD Set 1.1: A 39 LYS NZ :NH3+ -132:sc= -0.121 (180deg=-1.25) USER MOD Set 1.2: A 41 THR OG1 : rot -64:sc= 1.15 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.119 (180deg=-0.63) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.0135 K(o=-0.013,f=-0.97) USER MOD Single : A 7 LYS NZ :NH3+ 148:sc= 1.94 (180deg=-0.479) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -146:sc= 1.26 (180deg=0.438) USER MOD Single : A 25 LYS NZ :NH3+ -133:sc= 1.05 (180deg=-0.31) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.0387 F(o=-2.1,f=-0.039) USER MOD Single : A 31 SER OG : rot -3:sc= 1.14 USER MOD Single : A 32 SER OG : rot 140:sc= -0.0461 USER MOD Single : A 35 HIS : no HD1:sc= -0.772 K(o=-0.77,f=-6.8!) USER MOD Single : A 40 MET CE :methyl -149:sc= -2.1 (180deg=-4.29!) USER MOD Single : A 42 THR OG1 : rot 180:sc=-0.00879 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 45 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.2) USER MOD Single : A 46 LYS NZ :NH3+ -164:sc= -1.31 (180deg=-1.76!) USER MOD Single : A 48 LYS NZ :NH3+ -144:sc= -0.244! (180deg=-1.56!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 120:sc= 0.0625 USER MOD Single : A 52 CYS SG : rot 65:sc= 0.0491 USER MOD Single : A 53 GLN : amide:sc= -0.0365 K(o=-0.037,f=-1.3!) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.162 F(o=-2.3!,f=-0.16) USER MOD Single : A 59 MET CE :methyl 177:sc= -6.12! (180deg=-6.29!) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.255 F(o=-3!,f=-0.26) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.205 K(o=-0.2,f=-2.3) USER MOD Single : A 74 ASN : amide:sc= 1.14 K(o=1.1,f=-0.23) USER MOD Single : A 75 HIS : no HE2:sc= 0.763 K(o=0.76,f=-3.6!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 157:sc= -2.52 (180deg=-4.93!) USER MOD Single : A 91 TYR OH : rot -5:sc= 0.352 USER MOD Single : A 92 GLN : amide:sc= -0.694 K(o=-0.69,f=-1.6) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 95 THR OG1 : rot -41:sc= 0.459 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.687 10.900 7.801 1.00 0.00 N ATOM 2 CA MET A 1 -26.795 11.257 6.896 1.00 0.00 C ATOM 3 C MET A 1 -26.900 12.768 6.747 1.00 0.00 C ATOM 4 O MET A 1 -26.833 13.294 5.640 1.00 0.00 O ATOM 5 CB MET A 1 -28.120 10.684 7.412 1.00 0.00 C ATOM 6 CG MET A 1 -29.302 10.947 6.494 1.00 0.00 C ATOM 7 SD MET A 1 -30.860 10.317 7.157 1.00 0.00 S ATOM 8 CE MET A 1 -30.492 8.565 7.282 1.00 0.00 C ATOM 0 H1 MET A 1 -25.631 9.865 7.890 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.792 11.263 7.414 1.00 0.00 H new ATOM 0 H3 MET A 1 -25.855 11.320 8.738 1.00 0.00 H new ATOM 0 HA MET A 1 -26.586 10.824 5.918 1.00 0.00 H new ATOM 0 HB2 MET A 1 -28.011 9.608 7.549 1.00 0.00 H new ATOM 0 HB3 MET A 1 -28.332 11.110 8.393 1.00 0.00 H new ATOM 0 HG2 MET A 1 -29.392 12.020 6.325 1.00 0.00 H new ATOM 0 HG3 MET A 1 -29.112 10.486 5.525 1.00 0.00 H new ATOM 0 HE1 MET A 1 -31.423 8.001 7.346 1.00 0.00 H new ATOM 0 HE2 MET A 1 -29.935 8.246 6.401 1.00 0.00 H new ATOM 0 HE3 MET A 1 -29.895 8.382 8.175 1.00 0.00 H new ATOM 18 N SER A 2 -27.072 13.469 7.865 1.00 0.00 N ATOM 19 CA SER A 2 -27.178 14.922 7.850 1.00 0.00 C ATOM 20 C SER A 2 -25.908 15.574 7.301 1.00 0.00 C ATOM 21 O SER A 2 -25.939 16.270 6.282 1.00 0.00 O ATOM 22 CB SER A 2 -27.480 15.440 9.256 1.00 0.00 C ATOM 23 OG SER A 2 -28.646 14.823 9.783 1.00 0.00 O ATOM 0 H SER A 2 -27.141 13.052 8.793 1.00 0.00 H new ATOM 0 HA SER A 2 -27.999 15.192 7.185 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.631 15.242 9.911 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.616 16.521 9.228 1.00 0.00 H new ATOM 0 HG SER A 2 -28.820 15.168 10.684 1.00 0.00 H new ATOM 29 N ASP A 3 -24.790 15.344 7.960 1.00 0.00 N ATOM 30 CA ASP A 3 -23.531 15.929 7.531 1.00 0.00 C ATOM 31 C ASP A 3 -22.744 14.968 6.646 1.00 0.00 C ATOM 32 O ASP A 3 -21.971 14.141 7.119 1.00 0.00 O ATOM 33 CB ASP A 3 -22.678 16.412 8.736 1.00 0.00 C ATOM 34 CG ASP A 3 -22.290 15.303 9.710 1.00 0.00 C ATOM 35 OD1 ASP A 3 -23.180 14.784 10.414 1.00 0.00 O ATOM 36 OD2 ASP A 3 -21.090 14.963 9.793 1.00 0.00 O ATOM 0 H ASP A 3 -24.725 14.758 8.793 1.00 0.00 H new ATOM 0 HA ASP A 3 -23.773 16.808 6.933 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -21.770 16.883 8.359 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -23.234 17.178 9.277 1.00 0.00 H new ATOM 41 N GLN A 4 -22.979 15.044 5.348 1.00 0.00 N ATOM 42 CA GLN A 4 -22.249 14.216 4.395 1.00 0.00 C ATOM 43 C GLN A 4 -21.090 14.992 3.807 1.00 0.00 C ATOM 44 O GLN A 4 -20.515 14.622 2.778 1.00 0.00 O ATOM 45 CB GLN A 4 -23.173 13.732 3.278 1.00 0.00 C ATOM 46 CG GLN A 4 -23.810 14.857 2.482 1.00 0.00 C ATOM 47 CD GLN A 4 -24.526 14.369 1.245 1.00 0.00 C ATOM 48 OE1 GLN A 4 -24.142 13.366 0.640 1.00 0.00 O ATOM 49 NE2 GLN A 4 -25.566 15.072 0.856 1.00 0.00 N ATOM 0 H GLN A 4 -23.667 15.668 4.927 1.00 0.00 H new ATOM 0 HA GLN A 4 -21.862 13.346 4.926 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -22.605 13.095 2.600 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -23.960 13.115 3.711 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -24.516 15.391 3.118 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -23.040 15.571 2.192 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -25.851 15.896 1.385 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -26.088 14.793 0.025 1.00 0.00 H new ATOM 58 N GLU A 5 -20.732 16.053 4.479 1.00 0.00 N ATOM 59 CA GLU A 5 -19.672 16.927 4.032 1.00 0.00 C ATOM 60 C GLU A 5 -18.314 16.324 4.358 1.00 0.00 C ATOM 61 O GLU A 5 -18.167 15.551 5.313 1.00 0.00 O ATOM 62 CB GLU A 5 -19.817 18.313 4.673 1.00 0.00 C ATOM 63 CG GLU A 5 -18.832 19.350 4.152 1.00 0.00 C ATOM 64 CD GLU A 5 -18.847 19.451 2.646 1.00 0.00 C ATOM 65 OE1 GLU A 5 -19.755 20.104 2.101 1.00 0.00 O ATOM 66 OE2 GLU A 5 -17.954 18.865 2.000 1.00 0.00 O ATOM 0 H GLU A 5 -21.167 16.340 5.356 1.00 0.00 H new ATOM 0 HA GLU A 5 -19.746 17.039 2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -20.831 18.675 4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -19.689 18.217 5.751 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -19.072 20.323 4.581 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -17.827 19.093 4.486 1.00 0.00 H new ATOM 73 N ALA A 6 -17.330 16.666 3.572 1.00 0.00 N ATOM 74 CA ALA A 6 -15.995 16.158 3.757 1.00 0.00 C ATOM 75 C ALA A 6 -15.071 17.260 4.230 1.00 0.00 C ATOM 76 O ALA A 6 -15.446 18.436 4.267 1.00 0.00 O ATOM 77 CB ALA A 6 -15.477 15.538 2.467 1.00 0.00 C ATOM 0 H ALA A 6 -17.430 17.306 2.784 1.00 0.00 H new ATOM 0 HA ALA A 6 -16.022 15.382 4.522 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -14.467 15.159 2.625 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -16.130 14.717 2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -15.462 16.293 1.681 1.00 0.00 H new ATOM 83 N LYS A 7 -13.871 16.890 4.596 1.00 0.00 N ATOM 84 CA LYS A 7 -12.883 17.839 5.069 1.00 0.00 C ATOM 85 C LYS A 7 -12.048 18.398 3.910 1.00 0.00 C ATOM 86 O LYS A 7 -11.905 17.755 2.869 1.00 0.00 O ATOM 87 CB LYS A 7 -11.981 17.185 6.139 1.00 0.00 C ATOM 88 CG LYS A 7 -11.674 15.704 5.893 1.00 0.00 C ATOM 89 CD LYS A 7 -10.861 15.480 4.625 1.00 0.00 C ATOM 90 CE LYS A 7 -9.414 15.887 4.813 1.00 0.00 C ATOM 91 NZ LYS A 7 -8.730 15.008 5.791 1.00 0.00 N ATOM 0 H LYS A 7 -13.546 15.923 4.576 1.00 0.00 H new ATOM 0 HA LYS A 7 -13.408 18.678 5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.041 17.734 6.189 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.461 17.287 7.112 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.128 15.303 6.747 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.610 15.149 5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.910 14.429 4.341 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.297 16.052 3.806 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.894 15.843 3.856 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.366 16.921 5.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.727 14.915 5.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.805 15.422 6.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.178 14.069 5.786 1.00 0.00 H new ATOM 105 N PRO A 8 -11.512 19.614 4.070 1.00 0.00 N ATOM 106 CA PRO A 8 -10.661 20.242 3.061 1.00 0.00 C ATOM 107 C PRO A 8 -9.217 19.760 3.164 1.00 0.00 C ATOM 108 O PRO A 8 -8.871 18.957 4.040 1.00 0.00 O ATOM 109 CB PRO A 8 -10.732 21.711 3.451 1.00 0.00 C ATOM 110 CG PRO A 8 -10.826 21.667 4.932 1.00 0.00 C ATOM 111 CD PRO A 8 -11.712 20.497 5.238 1.00 0.00 C ATOM 0 HA PRO A 8 -10.980 20.021 2.042 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.849 22.258 3.120 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -11.597 22.204 3.007 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.842 21.544 5.385 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.246 22.592 5.327 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.426 20.007 6.168 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.755 20.797 5.343 1.00 0.00 H new ATOM 119 N SER A 9 -8.369 20.266 2.298 1.00 0.00 N ATOM 120 CA SER A 9 -6.962 19.927 2.327 1.00 0.00 C ATOM 121 C SER A 9 -6.241 20.847 3.309 1.00 0.00 C ATOM 122 O SER A 9 -5.515 21.769 2.919 1.00 0.00 O ATOM 123 CB SER A 9 -6.354 20.047 0.930 1.00 0.00 C ATOM 124 OG SER A 9 -7.115 19.313 -0.020 1.00 0.00 O ATOM 0 H SER A 9 -8.630 20.919 1.559 1.00 0.00 H new ATOM 0 HA SER A 9 -6.847 18.894 2.655 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.312 21.096 0.636 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.328 19.679 0.943 1.00 0.00 H new ATOM 0 HG SER A 9 -6.708 19.406 -0.907 1.00 0.00 H new ATOM 130 N THR A 10 -6.488 20.625 4.585 1.00 0.00 N ATOM 131 CA THR A 10 -5.910 21.434 5.629 1.00 0.00 C ATOM 132 C THR A 10 -4.532 20.897 6.038 1.00 0.00 C ATOM 133 O THR A 10 -4.027 19.928 5.456 1.00 0.00 O ATOM 134 CB THR A 10 -6.856 21.504 6.861 1.00 0.00 C ATOM 135 OG1 THR A 10 -6.407 22.503 7.787 1.00 0.00 O ATOM 136 CG2 THR A 10 -6.939 20.158 7.562 1.00 0.00 C ATOM 0 H THR A 10 -7.095 19.878 4.923 1.00 0.00 H new ATOM 0 HA THR A 10 -5.780 22.443 5.239 1.00 0.00 H new ATOM 0 HB THR A 10 -7.849 21.772 6.501 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.015 22.534 8.555 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.607 20.235 8.420 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.323 19.410 6.869 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.946 19.862 7.901 1.00 0.00 H new ATOM 144 N GLU A 11 -3.927 21.522 7.024 1.00 0.00 N ATOM 145 CA GLU A 11 -2.617 21.130 7.487 1.00 0.00 C ATOM 146 C GLU A 11 -2.721 19.982 8.465 1.00 0.00 C ATOM 147 O GLU A 11 -3.455 20.055 9.451 1.00 0.00 O ATOM 148 CB GLU A 11 -1.921 22.304 8.155 1.00 0.00 C ATOM 149 CG GLU A 11 -1.790 23.533 7.268 1.00 0.00 C ATOM 150 CD GLU A 11 -0.949 23.280 6.037 1.00 0.00 C ATOM 151 OE1 GLU A 11 0.290 23.407 6.124 1.00 0.00 O ATOM 152 OE2 GLU A 11 -1.522 22.971 4.970 1.00 0.00 O ATOM 0 H GLU A 11 -4.329 22.314 7.525 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.033 20.809 6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.472 22.576 9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.927 21.990 8.473 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.783 23.863 6.963 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.348 24.346 7.844 1.00 0.00 H new ATOM 159 N ASP A 12 -1.993 18.924 8.198 1.00 0.00 N ATOM 160 CA ASP A 12 -1.975 17.772 9.072 1.00 0.00 C ATOM 161 C ASP A 12 -0.556 17.242 9.178 1.00 0.00 C ATOM 162 O ASP A 12 0.306 17.583 8.363 1.00 0.00 O ATOM 163 CB ASP A 12 -2.943 16.684 8.571 1.00 0.00 C ATOM 164 CG ASP A 12 -2.989 15.454 9.480 1.00 0.00 C ATOM 165 OD1 ASP A 12 -3.134 15.614 10.704 1.00 0.00 O ATOM 166 OD2 ASP A 12 -2.860 14.317 8.972 1.00 0.00 O ATOM 0 H ASP A 12 -1.399 18.836 7.374 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.314 18.071 10.064 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.945 17.107 8.491 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.646 16.376 7.568 1.00 0.00 H new ATOM 171 N LEU A 13 -0.321 16.398 10.157 1.00 0.00 N ATOM 172 CA LEU A 13 0.999 15.873 10.436 1.00 0.00 C ATOM 173 C LEU A 13 0.927 14.797 11.499 1.00 0.00 C ATOM 174 O LEU A 13 -0.101 14.623 12.147 1.00 0.00 O ATOM 175 CB LEU A 13 1.969 17.004 10.852 1.00 0.00 C ATOM 176 CG LEU A 13 1.392 18.118 11.749 1.00 0.00 C ATOM 177 CD1 LEU A 13 1.048 17.600 13.130 1.00 0.00 C ATOM 178 CD2 LEU A 13 2.363 19.281 11.845 1.00 0.00 C ATOM 0 H LEU A 13 -1.045 16.053 10.787 1.00 0.00 H new ATOM 0 HA LEU A 13 1.389 15.423 9.523 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.814 16.553 11.371 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.361 17.466 9.946 1.00 0.00 H new ATOM 0 HG LEU A 13 0.469 18.468 11.287 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.644 18.413 13.733 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.305 16.807 13.046 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.947 17.207 13.605 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.939 20.057 12.482 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.304 18.935 12.272 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.544 19.687 10.850 1.00 0.00 H new ATOM 190 N GLY A 14 2.009 14.087 11.702 1.00 0.00 N ATOM 191 CA GLY A 14 2.024 13.029 12.684 1.00 0.00 C ATOM 192 C GLY A 14 2.907 13.383 13.849 1.00 0.00 C ATOM 193 O GLY A 14 3.663 12.553 14.351 1.00 0.00 O ATOM 0 H GLY A 14 2.888 14.221 11.203 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.010 12.842 13.036 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.377 12.106 12.223 1.00 0.00 H new ATOM 197 N ASP A 15 2.821 14.625 14.288 1.00 0.00 N ATOM 198 CA ASP A 15 3.653 15.111 15.375 1.00 0.00 C ATOM 199 C ASP A 15 2.805 15.679 16.498 1.00 0.00 C ATOM 200 O ASP A 15 2.934 15.281 17.656 1.00 0.00 O ATOM 201 CB ASP A 15 4.628 16.183 14.870 1.00 0.00 C ATOM 202 CG ASP A 15 5.690 15.629 13.939 1.00 0.00 C ATOM 203 OD1 ASP A 15 6.687 15.070 14.440 1.00 0.00 O ATOM 204 OD2 ASP A 15 5.539 15.759 12.700 1.00 0.00 O ATOM 0 H ASP A 15 2.179 15.320 13.906 1.00 0.00 H new ATOM 0 HA ASP A 15 4.222 14.265 15.762 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.067 16.960 14.351 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.113 16.656 15.724 1.00 0.00 H new ATOM 209 N LYS A 16 1.935 16.610 16.158 1.00 0.00 N ATOM 210 CA LYS A 16 1.082 17.262 17.137 1.00 0.00 C ATOM 211 C LYS A 16 -0.289 16.599 17.204 1.00 0.00 C ATOM 212 O LYS A 16 -0.516 15.537 16.609 1.00 0.00 O ATOM 213 CB LYS A 16 0.911 18.743 16.793 1.00 0.00 C ATOM 214 CG LYS A 16 2.203 19.544 16.800 1.00 0.00 C ATOM 215 CD LYS A 16 1.933 21.034 16.626 1.00 0.00 C ATOM 216 CE LYS A 16 1.076 21.582 17.765 1.00 0.00 C ATOM 217 NZ LYS A 16 0.875 23.045 17.655 1.00 0.00 N ATOM 0 H LYS A 16 1.799 16.936 15.201 1.00 0.00 H new ATOM 0 HA LYS A 16 1.565 17.166 18.110 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.453 18.824 15.807 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.217 19.191 17.504 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.733 19.375 17.738 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.854 19.194 15.999 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.879 21.575 16.588 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.429 21.205 15.675 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.107 21.082 17.763 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.551 21.352 18.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.288 23.375 18.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.797 23.525 17.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.398 23.263 16.757 1.00 0.00 H new ATOM 231 N LYS A 17 -1.200 17.229 17.937 1.00 0.00 N ATOM 232 CA LYS A 17 -2.564 16.745 18.076 1.00 0.00 C ATOM 233 C LYS A 17 -3.426 17.194 16.900 1.00 0.00 C ATOM 234 O LYS A 17 -2.918 17.708 15.902 1.00 0.00 O ATOM 235 CB LYS A 17 -3.179 17.261 19.370 1.00 0.00 C ATOM 236 CG LYS A 17 -2.592 16.672 20.633 1.00 0.00 C ATOM 237 CD LYS A 17 -3.276 17.255 21.857 1.00 0.00 C ATOM 238 CE LYS A 17 -4.764 16.928 21.878 1.00 0.00 C ATOM 239 NZ LYS A 17 -5.450 17.539 23.040 1.00 0.00 N ATOM 0 H LYS A 17 -1.011 18.090 18.451 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.529 15.656 18.095 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.063 18.344 19.404 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.249 17.055 19.354 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.709 15.588 20.625 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.522 16.877 20.674 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.804 16.864 22.759 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.140 18.336 21.870 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.226 17.282 20.957 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.897 15.847 21.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.460 17.292 23.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.027 17.182 23.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.346 18.573 23.000 1.00 0.00 H new ATOM 253 N GLU A 18 -4.746 17.018 17.051 1.00 0.00 N ATOM 254 CA GLU A 18 -5.726 17.360 16.024 1.00 0.00 C ATOM 255 C GLU A 18 -5.361 16.782 14.671 1.00 0.00 C ATOM 256 O GLU A 18 -5.359 17.477 13.653 1.00 0.00 O ATOM 257 CB GLU A 18 -5.939 18.862 15.936 1.00 0.00 C ATOM 258 CG GLU A 18 -6.816 19.418 17.042 1.00 0.00 C ATOM 259 CD GLU A 18 -7.190 20.864 16.819 1.00 0.00 C ATOM 260 OE1 GLU A 18 -6.426 21.749 17.246 1.00 0.00 O ATOM 261 OE2 GLU A 18 -8.260 21.125 16.223 1.00 0.00 O ATOM 0 H GLU A 18 -5.162 16.631 17.898 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.669 16.904 16.326 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.970 19.360 15.967 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.389 19.101 14.972 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.724 18.819 17.115 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.295 19.325 17.995 1.00 0.00 H new ATOM 268 N GLY A 19 -5.104 15.499 14.650 1.00 0.00 N ATOM 269 CA GLY A 19 -4.761 14.831 13.429 1.00 0.00 C ATOM 270 C GLY A 19 -5.668 13.657 13.210 1.00 0.00 C ATOM 271 O GLY A 19 -5.716 12.745 14.031 1.00 0.00 O ATOM 0 H GLY A 19 -5.127 14.896 15.472 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.842 15.524 12.591 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.724 14.497 13.467 1.00 0.00 H new ATOM 275 N GLU A 20 -6.392 13.653 12.114 1.00 0.00 N ATOM 276 CA GLU A 20 -7.350 12.603 11.861 1.00 0.00 C ATOM 277 C GLU A 20 -6.690 11.412 11.198 1.00 0.00 C ATOM 278 O GLU A 20 -5.672 11.538 10.505 1.00 0.00 O ATOM 279 CB GLU A 20 -8.522 13.112 11.011 1.00 0.00 C ATOM 280 CG GLU A 20 -8.147 13.501 9.588 1.00 0.00 C ATOM 281 CD GLU A 20 -9.348 13.906 8.765 1.00 0.00 C ATOM 282 OE1 GLU A 20 -10.227 13.055 8.531 1.00 0.00 O ATOM 283 OE2 GLU A 20 -9.424 15.084 8.354 1.00 0.00 O ATOM 0 H GLU A 20 -6.335 14.364 11.385 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.746 12.281 12.824 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.289 12.339 10.973 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.965 13.976 11.506 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.434 14.325 9.616 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.646 12.662 9.105 1.00 0.00 H new ATOM 290 N TYR A 21 -7.256 10.258 11.421 1.00 0.00 N ATOM 291 CA TYR A 21 -6.761 9.028 10.857 1.00 0.00 C ATOM 292 C TYR A 21 -7.899 8.281 10.208 1.00 0.00 C ATOM 293 O TYR A 21 -9.028 8.327 10.693 1.00 0.00 O ATOM 294 CB TYR A 21 -6.057 8.178 11.927 1.00 0.00 C ATOM 295 CG TYR A 21 -6.488 8.466 13.348 1.00 0.00 C ATOM 296 CD1 TYR A 21 -5.907 9.504 14.069 1.00 0.00 C ATOM 297 CD2 TYR A 21 -7.460 7.699 13.972 1.00 0.00 C ATOM 298 CE1 TYR A 21 -6.281 9.769 15.366 1.00 0.00 C ATOM 299 CE2 TYR A 21 -7.839 7.955 15.275 1.00 0.00 C ATOM 300 CZ TYR A 21 -7.246 8.991 15.967 1.00 0.00 C ATOM 301 OH TYR A 21 -7.616 9.245 17.270 1.00 0.00 O ATOM 0 H TYR A 21 -8.084 10.142 12.006 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.017 9.254 10.093 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.239 7.125 11.713 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.982 8.338 11.849 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.148 10.114 13.602 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.928 6.890 13.431 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.821 10.581 15.909 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.595 7.348 15.750 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.308 8.608 17.544 1.00 0.00 H new ATOM 311 N ILE A 22 -7.626 7.586 9.115 1.00 0.00 N ATOM 312 CA ILE A 22 -8.673 6.952 8.347 1.00 0.00 C ATOM 313 C ILE A 22 -8.293 5.524 7.927 1.00 0.00 C ATOM 314 O ILE A 22 -7.115 5.156 7.891 1.00 0.00 O ATOM 315 CB ILE A 22 -9.043 7.812 7.094 1.00 0.00 C ATOM 316 CG1 ILE A 22 -7.787 8.283 6.328 1.00 0.00 C ATOM 317 CG2 ILE A 22 -9.874 9.015 7.500 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.163 7.239 5.437 1.00 0.00 C ATOM 0 H ILE A 22 -6.686 7.450 8.744 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.548 6.882 8.993 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.626 7.175 6.429 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.052 9.148 5.720 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.042 8.617 7.050 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.122 9.601 6.615 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.792 8.677 7.981 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.306 9.632 8.196 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.289 7.660 4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.861 6.381 6.038 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.887 6.920 4.687 1.00 0.00 H new ATOM 330 N LYS A 23 -9.298 4.725 7.620 1.00 0.00 N ATOM 331 CA LYS A 23 -9.099 3.340 7.195 1.00 0.00 C ATOM 332 C LYS A 23 -9.096 3.263 5.681 1.00 0.00 C ATOM 333 O LYS A 23 -9.620 4.142 5.020 1.00 0.00 O ATOM 334 CB LYS A 23 -10.239 2.466 7.731 1.00 0.00 C ATOM 335 CG LYS A 23 -11.590 2.824 7.121 1.00 0.00 C ATOM 336 CD LYS A 23 -12.710 1.917 7.596 1.00 0.00 C ATOM 337 CE LYS A 23 -14.003 2.246 6.864 1.00 0.00 C ATOM 338 NZ LYS A 23 -15.120 1.352 7.241 1.00 0.00 N ATOM 0 H LYS A 23 -10.276 5.011 7.656 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.145 2.985 7.585 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.017 1.419 7.524 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -10.294 2.572 8.814 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.834 3.856 7.371 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.519 2.768 6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.441 0.875 7.423 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.852 2.035 8.670 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.282 3.278 7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.835 2.176 5.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.733 1.195 6.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.740 0.441 7.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.673 1.791 8.004 1.00 0.00 H new ATOM 352 N LEU A 24 -8.487 2.226 5.126 1.00 0.00 N ATOM 353 CA LEU A 24 -8.516 1.990 3.691 1.00 0.00 C ATOM 354 C LEU A 24 -8.360 0.502 3.405 1.00 0.00 C ATOM 355 O LEU A 24 -8.220 -0.318 4.328 1.00 0.00 O ATOM 356 CB LEU A 24 -7.422 2.770 2.950 1.00 0.00 C ATOM 357 CG LEU A 24 -7.173 4.189 3.419 1.00 0.00 C ATOM 358 CD1 LEU A 24 -5.833 4.284 4.105 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.265 5.156 2.261 1.00 0.00 C ATOM 0 H LEU A 24 -7.962 1.529 5.654 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.480 2.344 3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.489 2.213 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.681 2.800 1.892 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.944 4.461 4.140 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.666 5.309 4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.817 3.616 4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.046 3.996 3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.083 6.170 2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.519 4.897 1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.260 5.100 1.818 1.00 0.00 H new ATOM 371 N LYS A 25 -8.370 0.158 2.135 1.00 0.00 N ATOM 372 CA LYS A 25 -8.259 -1.217 1.702 1.00 0.00 C ATOM 373 C LYS A 25 -7.561 -1.274 0.361 1.00 0.00 C ATOM 374 O LYS A 25 -7.755 -0.413 -0.483 1.00 0.00 O ATOM 375 CB LYS A 25 -9.660 -1.849 1.621 1.00 0.00 C ATOM 376 CG LYS A 25 -9.689 -3.270 1.072 1.00 0.00 C ATOM 377 CD LYS A 25 -9.984 -3.301 -0.418 1.00 0.00 C ATOM 378 CE LYS A 25 -11.404 -2.847 -0.717 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.416 -3.721 -0.071 1.00 0.00 N ATOM 0 H LYS A 25 -8.456 0.828 1.371 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.667 -1.783 2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.101 -1.851 2.618 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.292 -1.219 0.994 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.729 -3.751 1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.445 -3.848 1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.278 -2.658 -0.943 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.837 -4.312 -0.798 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.537 -1.822 -0.371 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.564 -2.843 -1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.153 -3.969 -0.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.957 -4.589 0.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.848 -3.218 0.730 1.00 0.00 H new ATOM 393 N VAL A 26 -6.742 -2.282 0.150 1.00 0.00 N ATOM 394 CA VAL A 26 -6.026 -2.403 -1.114 1.00 0.00 C ATOM 395 C VAL A 26 -6.090 -3.836 -1.596 1.00 0.00 C ATOM 396 O VAL A 26 -6.032 -4.773 -0.792 1.00 0.00 O ATOM 397 CB VAL A 26 -4.537 -1.938 -1.013 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.412 -0.683 -0.177 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.652 -3.018 -0.454 1.00 0.00 C ATOM 0 H VAL A 26 -6.553 -3.024 0.824 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.515 -1.742 -1.830 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.205 -1.718 -2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.365 -0.383 -0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.996 0.117 -0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.785 -0.877 0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.625 -2.655 -0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.995 -3.288 0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.694 -3.894 -1.101 1.00 0.00 H new ATOM 409 N ILE A 27 -6.249 -4.026 -2.892 1.00 0.00 N ATOM 410 CA ILE A 27 -6.350 -5.353 -3.460 1.00 0.00 C ATOM 411 C ILE A 27 -5.223 -5.566 -4.451 1.00 0.00 C ATOM 412 O ILE A 27 -4.782 -4.622 -5.110 1.00 0.00 O ATOM 413 CB ILE A 27 -7.701 -5.511 -4.194 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.835 -5.085 -3.272 1.00 0.00 C ATOM 415 CG2 ILE A 27 -7.904 -6.950 -4.662 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.141 -4.829 -3.985 1.00 0.00 C ATOM 0 H ILE A 27 -6.311 -3.270 -3.574 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.284 -6.088 -2.658 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.697 -4.872 -5.077 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -8.989 -5.859 -2.520 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.538 -4.180 -2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.862 -7.034 -5.175 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -7.101 -7.227 -5.345 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.894 -7.618 -3.800 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.899 -4.530 -3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.006 -4.033 -4.718 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.463 -5.738 -4.492 1.00 0.00 H new ATOM 428 N GLY A 28 -4.745 -6.784 -4.560 1.00 0.00 N ATOM 429 CA GLY A 28 -3.682 -7.062 -5.491 1.00 0.00 C ATOM 430 C GLY A 28 -4.060 -8.114 -6.501 1.00 0.00 C ATOM 431 O GLY A 28 -5.128 -8.721 -6.412 1.00 0.00 O ATOM 0 H GLY A 28 -5.071 -7.587 -4.022 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.410 -6.144 -6.012 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.799 -7.390 -4.942 1.00 0.00 H new ATOM 435 N GLN A 29 -3.168 -8.353 -7.460 1.00 0.00 N ATOM 436 CA GLN A 29 -3.384 -9.347 -8.523 1.00 0.00 C ATOM 437 C GLN A 29 -3.539 -10.748 -7.932 1.00 0.00 C ATOM 438 O GLN A 29 -3.996 -11.674 -8.591 1.00 0.00 O ATOM 439 CB GLN A 29 -2.200 -9.342 -9.515 1.00 0.00 C ATOM 440 CG GLN A 29 -1.031 -10.261 -9.116 1.00 0.00 C ATOM 441 CD GLN A 29 -0.340 -9.862 -7.814 1.00 0.00 C ATOM 442 OE1 GLN A 29 -0.250 -8.573 -7.548 1.00 0.00 O flip ATOM 443 NE2 GLN A 29 0.132 -10.715 -7.066 1.00 0.00 N flip ATOM 0 H GLN A 29 -2.274 -7.866 -7.527 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.300 -9.079 -9.050 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.564 -9.643 -10.497 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.828 -8.322 -9.612 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.402 -11.282 -9.020 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.295 -10.264 -9.920 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.045 -11.704 -7.301 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.611 -10.434 -6.210 1.00 0.00 H new ATOM 452 N ASP A 30 -3.166 -10.884 -6.674 1.00 0.00 N ATOM 453 CA ASP A 30 -3.206 -12.157 -5.996 1.00 0.00 C ATOM 454 C ASP A 30 -4.615 -12.441 -5.481 1.00 0.00 C ATOM 455 O ASP A 30 -4.846 -13.429 -4.786 1.00 0.00 O ATOM 456 CB ASP A 30 -2.204 -12.150 -4.837 1.00 0.00 C ATOM 457 CG ASP A 30 -1.784 -13.547 -4.415 1.00 0.00 C ATOM 458 OD1 ASP A 30 -1.030 -14.192 -5.168 1.00 0.00 O ATOM 459 OD2 ASP A 30 -2.191 -13.998 -3.327 1.00 0.00 O ATOM 0 H ASP A 30 -2.828 -10.114 -6.097 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.935 -12.946 -6.698 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.321 -11.583 -5.130 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.645 -11.635 -3.984 1.00 0.00 H new ATOM 464 N SER A 31 -5.560 -11.526 -5.801 1.00 0.00 N ATOM 465 CA SER A 31 -6.982 -11.634 -5.431 1.00 0.00 C ATOM 466 C SER A 31 -7.155 -11.544 -3.924 1.00 0.00 C ATOM 467 O SER A 31 -8.167 -11.976 -3.359 1.00 0.00 O ATOM 468 CB SER A 31 -7.670 -12.895 -6.033 1.00 0.00 C ATOM 469 OG SER A 31 -7.184 -14.104 -5.470 1.00 0.00 O ATOM 0 H SER A 31 -5.348 -10.681 -6.332 1.00 0.00 H new ATOM 0 HA SER A 31 -7.497 -10.783 -5.876 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.746 -12.830 -5.870 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.511 -12.911 -7.111 1.00 0.00 H new ATOM 0 HG SER A 31 -6.462 -13.904 -4.838 1.00 0.00 H new ATOM 475 N SER A 32 -6.168 -10.951 -3.276 1.00 0.00 N ATOM 476 CA SER A 32 -6.189 -10.760 -1.855 1.00 0.00 C ATOM 477 C SER A 32 -6.282 -9.271 -1.539 1.00 0.00 C ATOM 478 O SER A 32 -5.964 -8.422 -2.385 1.00 0.00 O ATOM 479 CB SER A 32 -4.929 -11.356 -1.232 1.00 0.00 C ATOM 480 OG SER A 32 -5.040 -11.430 0.177 1.00 0.00 O ATOM 0 H SER A 32 -5.330 -10.590 -3.732 1.00 0.00 H new ATOM 0 HA SER A 32 -7.059 -11.266 -1.435 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.756 -12.352 -1.638 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.065 -10.748 -1.500 1.00 0.00 H new ATOM 0 HG SER A 32 -4.653 -12.274 0.492 1.00 0.00 H new ATOM 486 N GLU A 33 -6.716 -8.953 -0.337 1.00 0.00 N ATOM 487 CA GLU A 33 -6.851 -7.574 0.076 1.00 0.00 C ATOM 488 C GLU A 33 -6.512 -7.393 1.543 1.00 0.00 C ATOM 489 O GLU A 33 -6.746 -8.278 2.371 1.00 0.00 O ATOM 490 CB GLU A 33 -8.259 -7.047 -0.223 1.00 0.00 C ATOM 491 CG GLU A 33 -9.367 -7.695 0.584 1.00 0.00 C ATOM 492 CD GLU A 33 -10.726 -7.118 0.258 1.00 0.00 C ATOM 493 OE1 GLU A 33 -11.104 -6.090 0.860 1.00 0.00 O ATOM 494 OE2 GLU A 33 -11.425 -7.681 -0.604 1.00 0.00 O ATOM 0 H GLU A 33 -6.982 -9.635 0.373 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.135 -6.990 -0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.276 -5.973 -0.039 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.468 -7.192 -1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.374 -8.768 0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.164 -7.563 1.647 1.00 0.00 H new ATOM 501 N ILE A 34 -5.951 -6.248 1.865 1.00 0.00 N ATOM 502 CA ILE A 34 -5.595 -5.921 3.230 1.00 0.00 C ATOM 503 C ILE A 34 -6.344 -4.658 3.663 1.00 0.00 C ATOM 504 O ILE A 34 -6.541 -3.730 2.864 1.00 0.00 O ATOM 505 CB ILE A 34 -4.053 -5.705 3.384 1.00 0.00 C ATOM 506 CG1 ILE A 34 -3.648 -5.523 4.847 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.578 -4.536 2.560 1.00 0.00 C ATOM 508 CD1 ILE A 34 -3.357 -6.821 5.557 1.00 0.00 C ATOM 0 H ILE A 34 -5.729 -5.517 1.189 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.879 -6.758 3.867 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.569 -6.608 3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.765 -4.886 4.895 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.446 -5.001 5.374 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.503 -4.413 2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.799 -4.719 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.089 -3.630 2.886 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.076 -6.616 6.590 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.246 -7.452 5.541 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.538 -7.335 5.054 1.00 0.00 H new ATOM 520 N HIS A 35 -6.812 -4.643 4.897 1.00 0.00 N ATOM 521 CA HIS A 35 -7.506 -3.481 5.447 1.00 0.00 C ATOM 522 C HIS A 35 -6.649 -2.894 6.541 1.00 0.00 C ATOM 523 O HIS A 35 -6.130 -3.626 7.385 1.00 0.00 O ATOM 524 CB HIS A 35 -8.875 -3.866 6.038 1.00 0.00 C ATOM 525 CG HIS A 35 -9.849 -4.479 5.067 1.00 0.00 C ATOM 526 ND1 HIS A 35 -11.195 -4.615 5.336 1.00 0.00 N ATOM 527 CD2 HIS A 35 -9.664 -5.011 3.837 1.00 0.00 C ATOM 528 CE1 HIS A 35 -11.789 -5.207 4.318 1.00 0.00 C ATOM 529 NE2 HIS A 35 -10.881 -5.456 3.396 1.00 0.00 N ATOM 0 H HIS A 35 -6.726 -5.425 5.546 1.00 0.00 H new ATOM 0 HA HIS A 35 -7.675 -2.762 4.645 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.714 -4.568 6.856 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.330 -2.974 6.468 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.728 -5.073 3.301 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -12.840 -5.447 4.251 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -11.057 -5.908 2.498 1.00 0.00 H new ATOM 538 N PHE A 36 -6.483 -1.593 6.550 1.00 0.00 N ATOM 539 CA PHE A 36 -5.635 -0.970 7.551 1.00 0.00 C ATOM 540 C PHE A 36 -6.159 0.384 7.969 1.00 0.00 C ATOM 541 O PHE A 36 -6.866 1.059 7.210 1.00 0.00 O ATOM 542 CB PHE A 36 -4.190 -0.852 7.038 1.00 0.00 C ATOM 543 CG PHE A 36 -4.086 -0.391 5.616 1.00 0.00 C ATOM 544 CD1 PHE A 36 -4.170 0.951 5.297 1.00 0.00 C ATOM 545 CD2 PHE A 36 -3.908 -1.306 4.597 1.00 0.00 C ATOM 546 CE1 PHE A 36 -4.078 1.368 3.989 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.818 -0.896 3.290 1.00 0.00 C ATOM 548 CZ PHE A 36 -3.903 0.446 2.985 1.00 0.00 C ATOM 0 H PHE A 36 -6.915 -0.949 5.888 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.645 -1.612 8.432 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.644 -0.157 7.676 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.701 -1.822 7.132 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.309 1.680 6.082 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.839 -2.358 4.831 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.143 2.420 3.751 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.681 -1.623 2.503 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.832 0.772 1.958 1.00 0.00 H new HETATM 558 OH ALY A 37 -12.378 -1.091 14.098 1.00 0.00 O HETATM 559 CH ALY A 37 -11.460 -0.268 14.175 1.00 0.00 C HETATM 560 CH3 ALY A 37 -10.534 -0.228 15.359 1.00 0.00 C HETATM 561 NZ ALY A 37 -11.210 0.602 13.210 1.00 0.00 N HETATM 562 CE ALY A 37 -10.313 0.346 12.097 1.00 0.00 C HETATM 563 CD ALY A 37 -9.069 1.204 12.177 1.00 0.00 C HETATM 564 CG ALY A 37 -8.262 1.123 10.902 1.00 0.00 C HETATM 565 CB ALY A 37 -6.980 1.927 11.015 1.00 0.00 C HETATM 566 CA ALY A 37 -6.210 2.066 9.700 1.00 0.00 C HETATM 567 N ALY A 37 -5.824 0.779 9.180 1.00 0.00 N HETATM 568 C ALY A 37 -4.976 2.912 9.910 1.00 0.00 C HETATM 569 O ALY A 37 -4.225 2.721 10.874 1.00 0.00 O HETATM 0 HH33 ALY A 37 -11.110 -0.041 16.265 1.00 0.00 H new HETATM 0 HH32 ALY A 37 -10.017 -1.183 15.449 1.00 0.00 H new HETATM 0 HH31 ALY A 37 -9.803 0.569 15.222 1.00 0.00 H new HETATM 0 HZ ALY A 37 -11.676 1.508 13.250 1.00 0.00 H new HETATM 0 HG3 ALY A 37 -8.856 1.495 10.068 1.00 0.00 H new HETATM 0 HG2 ALY A 37 -8.024 0.082 10.684 1.00 0.00 H new HETATM 0 HE3 ALY A 37 -10.831 0.542 11.158 1.00 0.00 H new HETATM 0 HE2 ALY A 37 -10.030 -0.707 12.091 1.00 0.00 H new HETATM 0 HD3 ALY A 37 -8.456 0.882 13.019 1.00 0.00 H new HETATM 0 HD2 ALY A 37 -9.351 2.240 12.366 1.00 0.00 H new HETATM 0 HCA ALY A 37 -6.869 2.547 8.977 1.00 0.00 H new HETATM 0 HB3 ALY A 37 -6.332 1.456 11.754 1.00 0.00 H new HETATM 0 HB2 ALY A 37 -7.220 2.922 11.390 1.00 0.00 H new ATOM 584 N VAL A 38 -4.743 3.821 9.004 1.00 0.00 N ATOM 585 CA VAL A 38 -3.594 4.687 9.075 1.00 0.00 C ATOM 586 C VAL A 38 -4.031 6.100 9.402 1.00 0.00 C ATOM 587 O VAL A 38 -5.174 6.329 9.773 1.00 0.00 O ATOM 588 CB VAL A 38 -2.797 4.684 7.750 1.00 0.00 C ATOM 589 CG1 VAL A 38 -2.247 3.299 7.461 1.00 0.00 C ATOM 590 CG2 VAL A 38 -3.659 5.170 6.596 1.00 0.00 C ATOM 0 H VAL A 38 -5.343 3.984 8.195 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.942 4.310 9.863 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.958 5.372 7.858 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.689 3.317 6.525 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.585 2.994 8.272 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.071 2.590 7.379 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.075 5.158 5.676 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.523 4.514 6.486 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.998 6.186 6.798 1.00 0.00 H new ATOM 600 N LYS A 39 -3.143 7.045 9.249 1.00 0.00 N ATOM 601 CA LYS A 39 -3.462 8.417 9.542 1.00 0.00 C ATOM 602 C LYS A 39 -3.521 9.217 8.249 1.00 0.00 C ATOM 603 O LYS A 39 -2.985 8.782 7.233 1.00 0.00 O ATOM 604 CB LYS A 39 -2.440 9.012 10.523 1.00 0.00 C ATOM 605 CG LYS A 39 -2.835 10.378 11.056 1.00 0.00 C ATOM 606 CD LYS A 39 -1.904 10.855 12.151 1.00 0.00 C ATOM 607 CE LYS A 39 -2.277 12.254 12.603 1.00 0.00 C ATOM 608 NZ LYS A 39 -2.244 13.220 11.475 1.00 0.00 N ATOM 0 H LYS A 39 -2.189 6.890 8.922 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.440 8.464 10.021 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.312 8.327 11.361 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.474 9.091 10.025 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.832 11.100 10.239 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.854 10.335 11.441 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.950 10.170 12.998 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.876 10.847 11.790 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.274 12.241 13.043 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.589 12.581 13.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.715 14.069 11.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.778 12.781 10.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.216 13.488 11.219 1.00 0.00 H new ATOM 622 N MET A 40 -4.194 10.381 8.278 1.00 0.00 N ATOM 623 CA MET A 40 -4.296 11.255 7.103 1.00 0.00 C ATOM 624 C MET A 40 -2.918 11.518 6.531 1.00 0.00 C ATOM 625 O MET A 40 -2.722 11.586 5.318 1.00 0.00 O ATOM 626 CB MET A 40 -4.976 12.581 7.483 1.00 0.00 C ATOM 627 CG MET A 40 -4.942 13.661 6.397 1.00 0.00 C ATOM 628 SD MET A 40 -6.257 13.513 5.155 1.00 0.00 S ATOM 629 CE MET A 40 -5.837 11.981 4.329 1.00 0.00 C ATOM 0 H MET A 40 -4.675 10.736 9.105 1.00 0.00 H new ATOM 0 HA MET A 40 -4.902 10.757 6.346 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.016 12.378 7.740 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.497 12.974 8.380 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.015 14.639 6.872 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.976 13.623 5.893 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.154 12.031 3.287 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.759 11.827 4.374 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.342 11.151 4.823 1.00 0.00 H new ATOM 639 N THR A 41 -1.974 11.703 7.405 1.00 0.00 N ATOM 640 CA THR A 41 -0.621 11.863 6.998 1.00 0.00 C ATOM 641 C THR A 41 0.265 10.814 7.650 1.00 0.00 C ATOM 642 O THR A 41 0.357 10.725 8.877 1.00 0.00 O ATOM 643 CB THR A 41 -0.147 13.276 7.335 1.00 0.00 C ATOM 644 OG1 THR A 41 -0.394 13.546 8.722 1.00 0.00 O ATOM 645 CG2 THR A 41 -0.923 14.273 6.501 1.00 0.00 C ATOM 0 H THR A 41 -2.124 11.746 8.413 1.00 0.00 H new ATOM 0 HA THR A 41 -0.554 11.722 5.919 1.00 0.00 H new ATOM 0 HB THR A 41 0.919 13.360 7.126 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.360 13.542 8.889 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.589 15.283 6.737 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.753 14.073 5.443 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.987 14.182 6.721 1.00 0.00 H new ATOM 653 N THR A 42 0.879 9.988 6.820 1.00 0.00 N ATOM 654 CA THR A 42 1.771 8.953 7.277 1.00 0.00 C ATOM 655 C THR A 42 2.435 8.283 6.070 1.00 0.00 C ATOM 656 O THR A 42 2.110 8.596 4.921 1.00 0.00 O ATOM 657 CB THR A 42 1.020 7.900 8.138 1.00 0.00 C ATOM 658 OG1 THR A 42 1.957 7.053 8.828 1.00 0.00 O ATOM 659 CG2 THR A 42 0.106 7.044 7.276 1.00 0.00 C ATOM 0 H THR A 42 0.768 10.022 5.807 1.00 0.00 H new ATOM 0 HA THR A 42 2.536 9.407 7.907 1.00 0.00 H new ATOM 0 HB THR A 42 0.414 8.438 8.867 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.469 6.396 9.367 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.408 6.315 7.903 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.629 7.680 6.782 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.698 6.522 6.524 1.00 0.00 H new ATOM 667 N HIS A 43 3.348 7.363 6.317 1.00 0.00 N ATOM 668 CA HIS A 43 4.027 6.664 5.238 1.00 0.00 C ATOM 669 C HIS A 43 3.318 5.363 4.904 1.00 0.00 C ATOM 670 O HIS A 43 3.206 4.470 5.739 1.00 0.00 O ATOM 671 CB HIS A 43 5.487 6.387 5.598 1.00 0.00 C ATOM 672 CG HIS A 43 6.293 7.625 5.818 1.00 0.00 C ATOM 673 ND1 HIS A 43 7.184 7.773 6.857 1.00 0.00 N ATOM 674 CD2 HIS A 43 6.343 8.781 5.115 1.00 0.00 C ATOM 675 CE1 HIS A 43 7.746 8.961 6.783 1.00 0.00 C ATOM 676 NE2 HIS A 43 7.252 9.592 5.735 1.00 0.00 N ATOM 0 H HIS A 43 3.638 7.081 7.254 1.00 0.00 H new ATOM 0 HA HIS A 43 4.003 7.309 4.360 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.521 5.776 6.500 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.945 5.802 4.800 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.771 9.018 4.230 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.486 9.353 7.465 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.507 10.533 5.436 1.00 0.00 H new ATOM 685 N LEU A 44 2.848 5.249 3.667 1.00 0.00 N ATOM 686 CA LEU A 44 2.130 4.045 3.206 1.00 0.00 C ATOM 687 C LEU A 44 3.023 2.799 3.198 1.00 0.00 C ATOM 688 O LEU A 44 2.550 1.669 3.020 1.00 0.00 O ATOM 689 CB LEU A 44 1.541 4.263 1.813 1.00 0.00 C ATOM 690 CG LEU A 44 0.526 5.398 1.687 1.00 0.00 C ATOM 691 CD1 LEU A 44 -0.152 5.351 0.336 1.00 0.00 C ATOM 692 CD2 LEU A 44 -0.502 5.343 2.811 1.00 0.00 C ATOM 0 H LEU A 44 2.947 5.973 2.956 1.00 0.00 H new ATOM 0 HA LEU A 44 1.324 3.873 3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.360 4.455 1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.063 3.337 1.493 1.00 0.00 H new ATOM 0 HG LEU A 44 1.061 6.344 1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.872 6.166 0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.596 5.455 -0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.669 4.398 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.211 6.163 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.035 4.393 2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.004 5.434 3.772 1.00 0.00 H new ATOM 704 N LYS A 45 4.308 2.996 3.387 1.00 0.00 N ATOM 705 CA LYS A 45 5.252 1.897 3.414 1.00 0.00 C ATOM 706 C LYS A 45 4.869 0.887 4.508 1.00 0.00 C ATOM 707 O LYS A 45 5.083 -0.319 4.365 1.00 0.00 O ATOM 708 CB LYS A 45 6.668 2.446 3.633 1.00 0.00 C ATOM 709 CG LYS A 45 7.788 1.437 3.399 1.00 0.00 C ATOM 710 CD LYS A 45 8.110 0.621 4.646 1.00 0.00 C ATOM 711 CE LYS A 45 8.567 1.504 5.806 1.00 0.00 C ATOM 712 NZ LYS A 45 8.912 0.706 7.007 1.00 0.00 N ATOM 0 H LYS A 45 4.728 3.915 3.526 1.00 0.00 H new ATOM 0 HA LYS A 45 5.227 1.372 2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.820 3.297 2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.743 2.821 4.654 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.502 0.763 2.592 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.685 1.964 3.072 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.228 0.055 4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.890 -0.104 4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.434 2.088 5.497 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.777 2.213 6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.152 1.345 7.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.099 0.116 7.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.727 0.096 6.796 1.00 0.00 H new ATOM 726 N LYS A 46 4.255 1.380 5.585 1.00 0.00 N ATOM 727 CA LYS A 46 3.835 0.525 6.690 1.00 0.00 C ATOM 728 C LYS A 46 2.735 -0.445 6.252 1.00 0.00 C ATOM 729 O LYS A 46 2.608 -1.546 6.792 1.00 0.00 O ATOM 730 CB LYS A 46 3.362 1.378 7.889 1.00 0.00 C ATOM 731 CG LYS A 46 2.100 2.210 7.628 1.00 0.00 C ATOM 732 CD LYS A 46 0.810 1.438 7.932 1.00 0.00 C ATOM 733 CE LYS A 46 0.434 1.488 9.413 1.00 0.00 C ATOM 734 NZ LYS A 46 1.423 0.805 10.284 1.00 0.00 N ATOM 0 H LYS A 46 4.039 2.369 5.713 1.00 0.00 H new ATOM 0 HA LYS A 46 4.697 -0.065 7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.176 0.718 8.736 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.169 2.050 8.180 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.131 3.112 8.239 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.090 2.531 6.586 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.006 1.852 7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.931 0.399 7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.341 2.529 9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.544 1.026 9.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.001 0.630 11.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.698 -0.101 9.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.265 1.406 10.392 1.00 0.00 H new ATOM 748 N LEU A 47 1.941 -0.053 5.253 1.00 0.00 N ATOM 749 CA LEU A 47 0.860 -0.902 4.800 1.00 0.00 C ATOM 750 C LEU A 47 1.414 -1.945 3.862 1.00 0.00 C ATOM 751 O LEU A 47 0.892 -3.056 3.766 1.00 0.00 O ATOM 752 CB LEU A 47 -0.270 -0.088 4.139 1.00 0.00 C ATOM 753 CG LEU A 47 -0.052 0.360 2.696 1.00 0.00 C ATOM 754 CD1 LEU A 47 -0.553 -0.686 1.712 1.00 0.00 C ATOM 755 CD2 LEU A 47 -0.728 1.682 2.453 1.00 0.00 C ATOM 0 H LEU A 47 2.031 0.833 4.756 1.00 0.00 H new ATOM 0 HA LEU A 47 0.414 -1.397 5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.182 -0.685 4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.447 0.800 4.746 1.00 0.00 H new ATOM 0 HG LEU A 47 1.020 0.479 2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.384 -0.338 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.015 -1.621 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.619 -0.850 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.565 1.990 1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.798 1.583 2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.312 2.432 3.125 1.00 0.00 H new ATOM 767 N LYS A 48 2.502 -1.588 3.166 1.00 0.00 N ATOM 768 CA LYS A 48 3.192 -2.541 2.304 1.00 0.00 C ATOM 769 C LYS A 48 3.651 -3.718 3.133 1.00 0.00 C ATOM 770 O LYS A 48 3.339 -4.873 2.839 1.00 0.00 O ATOM 771 CB LYS A 48 4.419 -1.908 1.644 1.00 0.00 C ATOM 772 CG LYS A 48 4.190 -1.346 0.257 1.00 0.00 C ATOM 773 CD LYS A 48 3.397 -0.057 0.271 1.00 0.00 C ATOM 774 CE LYS A 48 3.342 0.557 -1.121 1.00 0.00 C ATOM 775 NZ LYS A 48 4.601 0.311 -1.891 1.00 0.00 N ATOM 0 H LYS A 48 2.915 -0.656 3.186 1.00 0.00 H new ATOM 0 HA LYS A 48 2.497 -2.857 1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.784 -1.107 2.287 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.209 -2.657 1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.153 -1.170 -0.222 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.664 -2.085 -0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.386 -0.250 0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.852 0.648 0.967 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.495 0.141 -1.668 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.172 1.630 -1.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.816 1.141 -2.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.386 0.144 -1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.478 -0.523 -2.500 1.00 0.00 H new ATOM 789 N GLU A 49 4.418 -3.420 4.174 1.00 0.00 N ATOM 790 CA GLU A 49 4.914 -4.427 5.092 1.00 0.00 C ATOM 791 C GLU A 49 3.801 -5.281 5.627 1.00 0.00 C ATOM 792 O GLU A 49 3.858 -6.499 5.547 1.00 0.00 O ATOM 793 CB GLU A 49 5.627 -3.761 6.245 1.00 0.00 C ATOM 794 CG GLU A 49 6.687 -2.797 5.797 1.00 0.00 C ATOM 795 CD GLU A 49 7.488 -2.243 6.940 1.00 0.00 C ATOM 796 OE1 GLU A 49 8.495 -2.866 7.314 1.00 0.00 O ATOM 797 OE2 GLU A 49 7.113 -1.178 7.474 1.00 0.00 O ATOM 0 H GLU A 49 4.712 -2.470 4.402 1.00 0.00 H new ATOM 0 HA GLU A 49 5.604 -5.067 4.542 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.898 -3.232 6.860 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.081 -4.526 6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.357 -3.299 5.099 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.219 -1.975 5.255 1.00 0.00 H new ATOM 804 N SER A 50 2.773 -4.645 6.157 1.00 0.00 N ATOM 805 CA SER A 50 1.645 -5.361 6.725 1.00 0.00 C ATOM 806 C SER A 50 1.013 -6.296 5.681 1.00 0.00 C ATOM 807 O SER A 50 0.501 -7.364 6.013 1.00 0.00 O ATOM 808 CB SER A 50 0.608 -4.376 7.268 1.00 0.00 C ATOM 809 OG SER A 50 -0.260 -5.009 8.195 1.00 0.00 O ATOM 0 H SER A 50 2.696 -3.629 6.206 1.00 0.00 H new ATOM 0 HA SER A 50 2.006 -5.972 7.552 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.114 -3.540 7.751 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.027 -3.964 6.443 1.00 0.00 H new ATOM 0 HG SER A 50 -0.913 -4.359 8.529 1.00 0.00 H new ATOM 815 N TYR A 51 1.072 -5.902 4.417 1.00 0.00 N ATOM 816 CA TYR A 51 0.534 -6.723 3.340 1.00 0.00 C ATOM 817 C TYR A 51 1.410 -7.970 3.168 1.00 0.00 C ATOM 818 O TYR A 51 0.910 -9.099 3.100 1.00 0.00 O ATOM 819 CB TYR A 51 0.482 -5.919 2.026 1.00 0.00 C ATOM 820 CG TYR A 51 -0.430 -6.498 0.952 1.00 0.00 C ATOM 821 CD1 TYR A 51 -0.347 -7.829 0.580 1.00 0.00 C ATOM 822 CD2 TYR A 51 -1.366 -5.703 0.313 1.00 0.00 C ATOM 823 CE1 TYR A 51 -1.167 -8.355 -0.398 1.00 0.00 C ATOM 824 CE2 TYR A 51 -2.194 -6.221 -0.672 1.00 0.00 C ATOM 825 CZ TYR A 51 -2.088 -7.545 -1.022 1.00 0.00 C ATOM 826 OH TYR A 51 -2.903 -8.058 -2.004 1.00 0.00 O ATOM 0 H TYR A 51 1.486 -5.021 4.112 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.482 -7.028 3.593 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.154 -4.904 2.251 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.492 -5.845 1.623 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.375 -8.469 1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.453 -4.662 0.586 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.086 -9.397 -0.672 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.918 -5.587 -1.161 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.841 -7.954 -1.738 1.00 0.00 H new ATOM 836 N CYS A 52 2.719 -7.768 3.122 1.00 0.00 N ATOM 837 CA CYS A 52 3.671 -8.863 2.981 1.00 0.00 C ATOM 838 C CYS A 52 3.657 -9.754 4.225 1.00 0.00 C ATOM 839 O CYS A 52 3.834 -10.956 4.143 1.00 0.00 O ATOM 840 CB CYS A 52 5.092 -8.308 2.738 1.00 0.00 C ATOM 841 SG CYS A 52 6.387 -9.558 2.580 1.00 0.00 S ATOM 0 H CYS A 52 3.151 -6.846 3.181 1.00 0.00 H new ATOM 0 HA CYS A 52 3.377 -9.466 2.122 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.079 -7.704 1.831 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.350 -7.642 3.561 1.00 0.00 H new ATOM 0 HG CYS A 52 6.178 -10.266 1.510 1.00 0.00 H new ATOM 847 N GLN A 53 3.438 -9.148 5.373 1.00 0.00 N ATOM 848 CA GLN A 53 3.415 -9.862 6.643 1.00 0.00 C ATOM 849 C GLN A 53 2.140 -10.693 6.810 1.00 0.00 C ATOM 850 O GLN A 53 2.169 -11.793 7.351 1.00 0.00 O ATOM 851 CB GLN A 53 3.563 -8.872 7.797 1.00 0.00 C ATOM 852 CG GLN A 53 4.928 -8.212 7.854 1.00 0.00 C ATOM 853 CD GLN A 53 5.988 -9.145 8.393 1.00 0.00 C ATOM 854 OE1 GLN A 53 5.700 -10.032 9.197 1.00 0.00 O ATOM 855 NE2 GLN A 53 7.209 -8.955 7.962 1.00 0.00 N ATOM 0 H GLN A 53 3.270 -8.145 5.458 1.00 0.00 H new ATOM 0 HA GLN A 53 4.255 -10.556 6.651 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.798 -8.101 7.704 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.379 -9.392 8.737 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.212 -7.880 6.855 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.875 -7.323 8.482 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.404 -8.208 7.295 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.966 -9.554 8.293 1.00 0.00 H new ATOM 864 N ARG A 54 1.024 -10.162 6.346 1.00 0.00 N ATOM 865 CA ARG A 54 -0.262 -10.835 6.495 1.00 0.00 C ATOM 866 C ARG A 54 -0.487 -11.874 5.400 1.00 0.00 C ATOM 867 O ARG A 54 -0.874 -13.010 5.675 1.00 0.00 O ATOM 868 CB ARG A 54 -1.389 -9.805 6.470 1.00 0.00 C ATOM 869 CG ARG A 54 -2.790 -10.392 6.585 1.00 0.00 C ATOM 870 CD ARG A 54 -2.986 -11.122 7.898 1.00 0.00 C ATOM 871 NE ARG A 54 -4.333 -11.670 8.019 1.00 0.00 N ATOM 872 CZ ARG A 54 -4.755 -12.400 9.051 1.00 0.00 C ATOM 873 NH1 ARG A 54 -3.922 -12.708 10.043 1.00 0.00 N ATOM 874 NH2 ARG A 54 -6.009 -12.829 9.087 1.00 0.00 N ATOM 0 H ARG A 54 0.978 -9.266 5.861 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.257 -11.356 7.452 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.237 -9.100 7.287 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.323 -9.237 5.542 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.527 -9.594 6.499 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.966 -11.079 5.757 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.257 -11.929 7.977 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.796 -10.438 8.726 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.994 -11.482 7.265 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.955 -12.385 10.016 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.251 -13.267 10.830 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.648 -12.600 8.326 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.334 -13.388 9.876 1.00 0.00 H new ATOM 888 N GLN A 55 -0.246 -11.488 4.159 1.00 0.00 N ATOM 889 CA GLN A 55 -0.488 -12.371 3.029 1.00 0.00 C ATOM 890 C GLN A 55 0.738 -13.202 2.681 1.00 0.00 C ATOM 891 O GLN A 55 0.647 -14.185 1.944 1.00 0.00 O ATOM 892 CB GLN A 55 -0.945 -11.568 1.809 1.00 0.00 C ATOM 893 CG GLN A 55 -2.429 -11.199 1.817 1.00 0.00 C ATOM 894 CD GLN A 55 -2.808 -10.155 2.860 1.00 0.00 C ATOM 895 OE1 GLN A 55 -1.912 -9.228 3.132 1.00 0.00 O flip ATOM 896 NE2 GLN A 55 -3.910 -10.175 3.398 1.00 0.00 N flip ATOM 0 H GLN A 55 0.117 -10.569 3.907 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.280 -13.060 3.322 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.356 -10.653 1.750 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.731 -12.144 0.909 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.705 -10.827 0.830 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.015 -12.101 1.993 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.579 -10.908 3.163 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.157 -9.458 4.080 1.00 0.00 H new ATOM 905 N GLY A 56 1.886 -12.815 3.212 1.00 0.00 N ATOM 906 CA GLY A 56 3.120 -13.551 2.957 1.00 0.00 C ATOM 907 C GLY A 56 3.586 -13.459 1.509 1.00 0.00 C ATOM 908 O GLY A 56 4.371 -14.283 1.046 1.00 0.00 O ATOM 0 H GLY A 56 1.993 -12.002 3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.905 -13.168 3.609 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.971 -14.599 3.218 1.00 0.00 H new ATOM 912 N VAL A 57 3.113 -12.459 0.787 1.00 0.00 N ATOM 913 CA VAL A 57 3.489 -12.295 -0.607 1.00 0.00 C ATOM 914 C VAL A 57 4.536 -11.195 -0.769 1.00 0.00 C ATOM 915 O VAL A 57 4.514 -10.195 -0.042 1.00 0.00 O ATOM 916 CB VAL A 57 2.262 -12.004 -1.510 1.00 0.00 C ATOM 917 CG1 VAL A 57 1.354 -13.218 -1.577 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.489 -10.796 -1.009 1.00 0.00 C ATOM 0 H VAL A 57 2.470 -11.750 1.140 1.00 0.00 H new ATOM 0 HA VAL A 57 3.923 -13.241 -0.930 1.00 0.00 H new ATOM 0 HB VAL A 57 2.627 -11.782 -2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.498 -12.997 -2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.906 -14.063 -1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.005 -13.467 -0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.634 -10.615 -1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.138 -10.984 0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.139 -9.921 -1.012 1.00 0.00 H new ATOM 928 N PRO A 58 5.477 -11.379 -1.714 1.00 0.00 N ATOM 929 CA PRO A 58 6.556 -10.416 -1.967 1.00 0.00 C ATOM 930 C PRO A 58 6.033 -9.065 -2.455 1.00 0.00 C ATOM 931 O PRO A 58 5.546 -8.933 -3.574 1.00 0.00 O ATOM 932 CB PRO A 58 7.401 -11.092 -3.056 1.00 0.00 C ATOM 933 CG PRO A 58 6.486 -12.082 -3.690 1.00 0.00 C ATOM 934 CD PRO A 58 5.563 -12.546 -2.605 1.00 0.00 C ATOM 0 HA PRO A 58 7.115 -10.191 -1.059 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.763 -10.365 -3.784 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.278 -11.580 -2.630 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.928 -11.629 -4.509 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.046 -12.918 -4.110 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.586 -12.824 -3.000 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.958 -13.420 -2.087 1.00 0.00 H new ATOM 942 N MET A 59 6.148 -8.058 -1.605 1.00 0.00 N ATOM 943 CA MET A 59 5.664 -6.715 -1.906 1.00 0.00 C ATOM 944 C MET A 59 6.502 -6.002 -2.959 1.00 0.00 C ATOM 945 O MET A 59 6.148 -4.923 -3.421 1.00 0.00 O ATOM 946 CB MET A 59 5.547 -5.876 -0.634 1.00 0.00 C ATOM 947 CG MET A 59 4.256 -6.105 0.131 1.00 0.00 C ATOM 948 SD MET A 59 2.787 -5.742 -0.834 1.00 0.00 S ATOM 949 CE MET A 59 2.336 -7.381 -1.395 1.00 0.00 C ATOM 0 H MET A 59 6.580 -8.146 -0.685 1.00 0.00 H new ATOM 0 HA MET A 59 4.669 -6.834 -2.335 1.00 0.00 H new ATOM 0 HB2 MET A 59 6.391 -6.102 0.018 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.621 -4.821 -0.897 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.217 -7.143 0.463 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.257 -5.484 1.027 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.408 -7.328 -1.965 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.129 -7.780 -2.028 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.196 -8.035 -0.534 1.00 0.00 H new ATOM 959 N ASN A 60 7.626 -6.587 -3.323 1.00 0.00 N ATOM 960 CA ASN A 60 8.502 -5.984 -4.333 1.00 0.00 C ATOM 961 C ASN A 60 8.129 -6.467 -5.732 1.00 0.00 C ATOM 962 O ASN A 60 8.504 -5.860 -6.742 1.00 0.00 O ATOM 963 CB ASN A 60 9.979 -6.300 -4.049 1.00 0.00 C ATOM 964 CG ASN A 60 10.514 -5.646 -2.772 1.00 0.00 C ATOM 965 OD1 ASN A 60 9.668 -5.513 -1.765 1.00 0.00 O flip ATOM 966 ND2 ASN A 60 11.687 -5.277 -2.696 1.00 0.00 N flip ATOM 0 H ASN A 60 7.961 -7.473 -2.943 1.00 0.00 H new ATOM 0 HA ASN A 60 8.364 -4.904 -4.283 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.102 -7.380 -3.972 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.581 -5.970 -4.895 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.312 -5.396 -3.494 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.034 -4.853 -1.835 1.00 0.00 H new ATOM 973 N SER A 61 7.397 -7.573 -5.788 1.00 0.00 N ATOM 974 CA SER A 61 6.958 -8.149 -7.053 1.00 0.00 C ATOM 975 C SER A 61 5.810 -7.347 -7.673 1.00 0.00 C ATOM 976 O SER A 61 5.508 -7.483 -8.850 1.00 0.00 O ATOM 977 CB SER A 61 6.541 -9.605 -6.852 1.00 0.00 C ATOM 978 OG SER A 61 7.623 -10.372 -6.346 1.00 0.00 O ATOM 0 H SER A 61 7.093 -8.093 -4.965 1.00 0.00 H new ATOM 0 HA SER A 61 7.799 -8.109 -7.746 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.699 -9.655 -6.162 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.202 -10.025 -7.799 1.00 0.00 H new ATOM 0 HG SER A 61 7.336 -11.301 -6.222 1.00 0.00 H new ATOM 984 N LEU A 62 5.163 -6.525 -6.879 1.00 0.00 N ATOM 985 CA LEU A 62 4.080 -5.710 -7.359 1.00 0.00 C ATOM 986 C LEU A 62 4.222 -4.260 -6.885 1.00 0.00 C ATOM 987 O LEU A 62 5.079 -3.944 -6.058 1.00 0.00 O ATOM 988 CB LEU A 62 2.707 -6.305 -6.953 1.00 0.00 C ATOM 989 CG LEU A 62 2.556 -6.927 -5.540 1.00 0.00 C ATOM 990 CD1 LEU A 62 3.188 -8.305 -5.464 1.00 0.00 C ATOM 991 CD2 LEU A 62 3.116 -6.011 -4.459 1.00 0.00 C ATOM 0 H LEU A 62 5.374 -6.405 -5.888 1.00 0.00 H new ATOM 0 HA LEU A 62 4.128 -5.705 -8.448 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.963 -5.515 -7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.451 -7.074 -7.682 1.00 0.00 H new ATOM 0 HG LEU A 62 1.488 -7.041 -5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.062 -8.708 -4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.706 -8.967 -6.184 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.251 -8.231 -5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.992 -6.481 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.175 -5.834 -4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.582 -5.061 -4.474 1.00 0.00 H new ATOM 1003 N ARG A 63 3.393 -3.381 -7.409 1.00 0.00 N ATOM 1004 CA ARG A 63 3.419 -1.980 -7.020 1.00 0.00 C ATOM 1005 C ARG A 63 2.043 -1.537 -6.564 1.00 0.00 C ATOM 1006 O ARG A 63 1.048 -2.220 -6.809 1.00 0.00 O ATOM 1007 CB ARG A 63 3.917 -1.068 -8.159 1.00 0.00 C ATOM 1008 CG ARG A 63 3.073 -1.114 -9.427 1.00 0.00 C ATOM 1009 CD ARG A 63 3.476 -2.275 -10.319 1.00 0.00 C ATOM 1010 NE ARG A 63 2.625 -2.383 -11.509 1.00 0.00 N ATOM 1011 CZ ARG A 63 2.673 -1.558 -12.561 1.00 0.00 C ATOM 1012 NH1 ARG A 63 3.539 -0.548 -12.583 1.00 0.00 N ATOM 1013 NH2 ARG A 63 1.858 -1.747 -13.592 1.00 0.00 N ATOM 0 H ARG A 63 2.688 -3.611 -8.109 1.00 0.00 H new ATOM 0 HA ARG A 63 4.124 -1.887 -6.194 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.948 -0.041 -7.796 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.940 -1.348 -8.410 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.020 -1.206 -9.162 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.184 -0.178 -9.974 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.514 -2.150 -10.627 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.422 -3.203 -9.750 1.00 0.00 H new ATOM 0 HE ARG A 63 1.946 -3.144 -11.536 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.170 -0.400 -11.795 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.572 0.078 -13.387 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.195 -2.522 -13.582 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.895 -1.117 -14.394 1.00 0.00 H new ATOM 1027 N PHE A 64 1.973 -0.375 -5.945 1.00 0.00 N ATOM 1028 CA PHE A 64 0.729 0.125 -5.395 1.00 0.00 C ATOM 1029 C PHE A 64 0.306 1.376 -6.122 1.00 0.00 C ATOM 1030 O PHE A 64 0.953 2.426 -6.016 1.00 0.00 O ATOM 1031 CB PHE A 64 0.878 0.414 -3.899 1.00 0.00 C ATOM 1032 CG PHE A 64 0.932 -0.818 -3.035 1.00 0.00 C ATOM 1033 CD1 PHE A 64 1.927 -1.768 -3.211 1.00 0.00 C ATOM 1034 CD2 PHE A 64 -0.007 -1.018 -2.041 1.00 0.00 C ATOM 1035 CE1 PHE A 64 1.979 -2.887 -2.412 1.00 0.00 C ATOM 1036 CE2 PHE A 64 0.042 -2.140 -1.240 1.00 0.00 C ATOM 1037 CZ PHE A 64 1.035 -3.073 -1.425 1.00 0.00 C ATOM 0 H PHE A 64 2.771 0.245 -5.810 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.037 -0.639 -5.526 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.787 0.995 -3.741 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.043 1.035 -3.575 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.669 -1.628 -3.983 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.788 -0.288 -1.890 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.759 -3.619 -2.558 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.699 -2.286 -0.468 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.075 -3.951 -0.797 1.00 0.00 H new ATOM 1047 N LEU A 65 -0.754 1.268 -6.885 1.00 0.00 N ATOM 1048 CA LEU A 65 -1.258 2.391 -7.634 1.00 0.00 C ATOM 1049 C LEU A 65 -2.663 2.722 -7.205 1.00 0.00 C ATOM 1050 O LEU A 65 -3.532 1.862 -7.133 1.00 0.00 O ATOM 1051 CB LEU A 65 -1.237 2.101 -9.130 1.00 0.00 C ATOM 1052 CG LEU A 65 0.085 1.576 -9.705 1.00 0.00 C ATOM 1053 CD1 LEU A 65 -0.039 1.345 -11.200 1.00 0.00 C ATOM 1054 CD2 LEU A 65 1.224 2.539 -9.408 1.00 0.00 C ATOM 0 H LEU A 65 -1.287 0.407 -7.003 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.610 3.244 -7.433 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.018 1.372 -9.348 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.500 3.017 -9.659 1.00 0.00 H new ATOM 0 HG LEU A 65 0.310 0.624 -9.225 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.908 0.973 -11.590 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.823 0.613 -11.391 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.291 2.284 -11.694 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.151 2.146 -9.825 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.007 3.509 -9.856 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.332 2.654 -8.329 1.00 0.00 H new ATOM 1066 N PHE A 66 -2.889 3.960 -6.915 1.00 0.00 N ATOM 1067 CA PHE A 66 -4.204 4.415 -6.544 1.00 0.00 C ATOM 1068 C PHE A 66 -4.837 5.099 -7.715 1.00 0.00 C ATOM 1069 O PHE A 66 -4.510 6.236 -8.016 1.00 0.00 O ATOM 1070 CB PHE A 66 -4.151 5.361 -5.342 1.00 0.00 C ATOM 1071 CG PHE A 66 -5.449 6.082 -5.084 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -6.660 5.413 -5.156 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -5.454 7.432 -4.784 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -7.843 6.072 -4.934 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -6.638 8.100 -4.558 1.00 0.00 C ATOM 1076 CZ PHE A 66 -7.836 7.421 -4.633 1.00 0.00 C ATOM 0 H PHE A 66 -2.176 4.689 -6.926 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.801 3.551 -6.254 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.879 4.791 -4.454 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.363 6.096 -5.503 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.673 4.359 -5.390 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.519 7.969 -4.726 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.779 5.537 -4.994 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.628 9.154 -4.322 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.766 7.942 -4.457 1.00 0.00 H new ATOM 1086 N GLU A 67 -5.726 4.386 -8.405 1.00 0.00 N ATOM 1087 CA GLU A 67 -6.425 4.902 -9.588 1.00 0.00 C ATOM 1088 C GLU A 67 -5.453 5.617 -10.558 1.00 0.00 C ATOM 1089 O GLU A 67 -5.802 6.604 -11.210 1.00 0.00 O ATOM 1090 CB GLU A 67 -7.611 5.817 -9.181 1.00 0.00 C ATOM 1091 CG GLU A 67 -7.219 7.103 -8.477 1.00 0.00 C ATOM 1092 CD GLU A 67 -8.368 8.075 -8.365 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -9.340 7.778 -7.651 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -8.305 9.151 -9.010 1.00 0.00 O ATOM 0 H GLU A 67 -5.985 3.430 -8.161 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.839 4.049 -10.126 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.179 6.070 -10.076 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.278 5.253 -8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.847 6.868 -7.479 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.400 7.575 -9.019 1.00 0.00 H new ATOM 1101 N GLY A 68 -4.231 5.089 -10.656 1.00 0.00 N ATOM 1102 CA GLY A 68 -3.223 5.665 -11.535 1.00 0.00 C ATOM 1103 C GLY A 68 -2.130 6.425 -10.787 1.00 0.00 C ATOM 1104 O GLY A 68 -1.143 6.860 -11.383 1.00 0.00 O ATOM 0 H GLY A 68 -3.921 4.267 -10.138 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.765 4.869 -12.122 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.709 6.341 -12.239 1.00 0.00 H new ATOM 1108 N GLN A 69 -2.292 6.579 -9.485 1.00 0.00 N ATOM 1109 CA GLN A 69 -1.318 7.276 -8.655 1.00 0.00 C ATOM 1110 C GLN A 69 -0.183 6.342 -8.279 1.00 0.00 C ATOM 1111 O GLN A 69 -0.413 5.231 -7.823 1.00 0.00 O ATOM 1112 CB GLN A 69 -1.993 7.807 -7.387 1.00 0.00 C ATOM 1113 CG GLN A 69 -2.827 9.054 -7.597 1.00 0.00 C ATOM 1114 CD GLN A 69 -2.006 10.322 -7.504 1.00 0.00 C ATOM 1115 OE1 GLN A 69 -1.880 10.914 -6.432 1.00 0.00 O ATOM 1116 NE2 GLN A 69 -1.421 10.734 -8.604 1.00 0.00 N ATOM 0 H GLN A 69 -3.100 6.226 -8.971 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.913 8.114 -9.223 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.629 7.024 -6.974 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.225 8.019 -6.643 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.307 9.006 -8.575 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.623 9.085 -6.853 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.549 10.217 -9.474 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.838 11.571 -8.589 1.00 0.00 H new ATOM 1125 N ARG A 70 1.037 6.781 -8.495 1.00 0.00 N ATOM 1126 CA ARG A 70 2.208 5.998 -8.157 1.00 0.00 C ATOM 1127 C ARG A 70 2.568 6.162 -6.683 1.00 0.00 C ATOM 1128 O ARG A 70 2.986 7.236 -6.246 1.00 0.00 O ATOM 1129 CB ARG A 70 3.387 6.432 -9.030 1.00 0.00 C ATOM 1130 CG ARG A 70 4.685 5.670 -8.772 1.00 0.00 C ATOM 1131 CD ARG A 70 4.561 4.201 -9.158 1.00 0.00 C ATOM 1132 NE ARG A 70 5.835 3.481 -9.038 1.00 0.00 N ATOM 1133 CZ ARG A 70 6.507 2.952 -10.071 1.00 0.00 C ATOM 1134 NH1 ARG A 70 6.046 3.085 -11.313 1.00 0.00 N ATOM 1135 NH2 ARG A 70 7.643 2.293 -9.859 1.00 0.00 N ATOM 0 H ARG A 70 1.247 7.689 -8.909 1.00 0.00 H new ATOM 0 HA ARG A 70 1.984 4.947 -8.340 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.111 6.309 -10.077 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.568 7.495 -8.871 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.495 6.128 -9.339 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.950 5.748 -7.718 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.815 3.723 -8.523 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.200 4.127 -10.184 1.00 0.00 H new ATOM 0 HE ARG A 70 6.236 3.376 -8.106 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.177 3.592 -11.483 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.562 2.680 -12.094 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.003 2.190 -8.910 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.154 1.891 -10.645 1.00 0.00 H new ATOM 1149 N ILE A 71 2.404 5.108 -5.913 1.00 0.00 N ATOM 1150 CA ILE A 71 2.758 5.138 -4.504 1.00 0.00 C ATOM 1151 C ILE A 71 4.042 4.349 -4.275 1.00 0.00 C ATOM 1152 O ILE A 71 4.019 3.116 -4.161 1.00 0.00 O ATOM 1153 CB ILE A 71 1.636 4.556 -3.583 1.00 0.00 C ATOM 1154 CG1 ILE A 71 0.379 5.436 -3.593 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.143 4.392 -2.154 1.00 0.00 C ATOM 1156 CD1 ILE A 71 -0.503 5.255 -4.806 1.00 0.00 C ATOM 0 H ILE A 71 2.027 4.217 -6.236 1.00 0.00 H new ATOM 0 HA ILE A 71 2.895 6.186 -4.239 1.00 0.00 H new ATOM 0 HB ILE A 71 1.367 3.578 -3.982 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.206 5.222 -2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.682 6.481 -3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.347 3.986 -1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.994 3.711 -2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.451 5.362 -1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.367 5.915 -4.729 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.061 5.499 -5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.841 4.220 -4.859 1.00 0.00 H new ATOM 1168 N ALA A 72 5.172 5.035 -4.224 1.00 0.00 N ATOM 1169 CA ALA A 72 6.424 4.351 -4.000 1.00 0.00 C ATOM 1170 C ALA A 72 6.856 4.466 -2.546 1.00 0.00 C ATOM 1171 O ALA A 72 7.760 5.220 -2.204 1.00 0.00 O ATOM 1172 CB ALA A 72 7.503 4.887 -4.930 1.00 0.00 C ATOM 0 H ALA A 72 5.244 6.047 -4.333 1.00 0.00 H new ATOM 0 HA ALA A 72 6.276 3.294 -4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.438 4.358 -4.745 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.199 4.735 -5.966 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.646 5.952 -4.746 1.00 0.00 H new ATOM 1178 N ASP A 73 6.178 3.697 -1.696 1.00 0.00 N ATOM 1179 CA ASP A 73 6.477 3.558 -0.248 1.00 0.00 C ATOM 1180 C ASP A 73 6.736 4.883 0.493 1.00 0.00 C ATOM 1181 O ASP A 73 7.345 4.888 1.559 1.00 0.00 O ATOM 1182 CB ASP A 73 7.656 2.607 -0.051 1.00 0.00 C ATOM 1183 CG ASP A 73 7.420 1.291 -0.742 1.00 0.00 C ATOM 1184 OD1 ASP A 73 6.627 0.493 -0.227 1.00 0.00 O ATOM 1185 OD2 ASP A 73 7.986 1.074 -1.832 1.00 0.00 O ATOM 0 H ASP A 73 5.381 3.133 -1.991 1.00 0.00 H new ATOM 0 HA ASP A 73 5.570 3.151 0.200 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.565 3.066 -0.440 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.815 2.437 1.014 1.00 0.00 H new ATOM 1190 N ASN A 74 6.252 5.997 -0.030 1.00 0.00 N ATOM 1191 CA ASN A 74 6.469 7.283 0.636 1.00 0.00 C ATOM 1192 C ASN A 74 5.300 8.223 0.416 1.00 0.00 C ATOM 1193 O ASN A 74 5.173 9.237 1.099 1.00 0.00 O ATOM 1194 CB ASN A 74 7.785 7.948 0.178 1.00 0.00 C ATOM 1195 CG ASN A 74 7.685 8.626 -1.180 1.00 0.00 C ATOM 1196 OD1 ASN A 74 7.350 9.809 -1.277 1.00 0.00 O ATOM 1197 ND2 ASN A 74 7.974 7.894 -2.228 1.00 0.00 N ATOM 0 H ASN A 74 5.716 6.045 -0.896 1.00 0.00 H new ATOM 0 HA ASN A 74 6.549 7.078 1.703 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.087 8.686 0.921 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.570 7.193 0.141 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.926 8.300 -3.163 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.247 6.919 -2.109 1.00 0.00 H new ATOM 1204 N HIS A 75 4.437 7.895 -0.541 1.00 0.00 N ATOM 1205 CA HIS A 75 3.280 8.714 -0.826 1.00 0.00 C ATOM 1206 C HIS A 75 2.357 8.742 0.368 1.00 0.00 C ATOM 1207 O HIS A 75 2.261 7.769 1.117 1.00 0.00 O ATOM 1208 CB HIS A 75 2.537 8.195 -2.053 1.00 0.00 C ATOM 1209 CG HIS A 75 2.242 9.258 -3.065 1.00 0.00 C ATOM 1210 ND1 HIS A 75 2.583 9.148 -4.394 1.00 0.00 N ATOM 1211 CD2 HIS A 75 1.639 10.460 -2.936 1.00 0.00 C ATOM 1212 CE1 HIS A 75 2.207 10.231 -5.034 1.00 0.00 C ATOM 1213 NE2 HIS A 75 1.633 11.041 -4.174 1.00 0.00 N ATOM 0 H HIS A 75 4.524 7.066 -1.129 1.00 0.00 H new ATOM 0 HA HIS A 75 3.621 9.728 -1.036 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.131 7.411 -2.523 1.00 0.00 H new ATOM 0 HB3 HIS A 75 1.600 7.737 -1.734 1.00 0.00 H new ATOM 0 HD1 HIS A 75 3.055 8.349 -4.816 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.237 10.882 -2.027 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.346 10.423 -6.088 1.00 0.00 H new ATOM 1222 N THR A 76 1.689 9.847 0.560 1.00 0.00 N ATOM 1223 CA THR A 76 0.801 9.996 1.682 1.00 0.00 C ATOM 1224 C THR A 76 -0.646 10.023 1.227 1.00 0.00 C ATOM 1225 O THR A 76 -0.951 10.461 0.112 1.00 0.00 O ATOM 1226 CB THR A 76 1.117 11.268 2.482 1.00 0.00 C ATOM 1227 OG1 THR A 76 1.071 12.410 1.619 1.00 0.00 O ATOM 1228 CG2 THR A 76 2.489 11.163 3.118 1.00 0.00 C ATOM 0 H THR A 76 1.743 10.663 -0.050 1.00 0.00 H new ATOM 0 HA THR A 76 0.953 9.134 2.331 1.00 0.00 H new ATOM 0 HB THR A 76 0.371 11.380 3.269 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.272 13.218 2.135 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.699 12.072 3.682 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.514 10.305 3.790 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.242 11.036 2.340 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.557 9.560 2.089 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.983 9.497 1.778 1.00 0.00 C ATOM 1238 C PRO A 77 -3.579 10.870 1.493 1.00 0.00 C ATOM 1239 O PRO A 77 -4.523 11.004 0.709 1.00 0.00 O ATOM 1240 CB PRO A 77 -3.622 8.881 3.032 1.00 0.00 C ATOM 1241 CG PRO A 77 -2.585 8.940 4.102 1.00 0.00 C ATOM 1242 CD PRO A 77 -1.251 9.056 3.434 1.00 0.00 C ATOM 0 HA PRO A 77 -3.164 8.914 0.875 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.515 9.434 3.325 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.931 7.852 2.846 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.760 9.793 4.758 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.625 8.046 4.724 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.595 9.738 3.974 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.743 8.092 3.391 1.00 0.00 H new ATOM 1250 N LYS A 78 -3.011 11.898 2.104 1.00 0.00 N ATOM 1251 CA LYS A 78 -3.504 13.252 1.924 1.00 0.00 C ATOM 1252 C LYS A 78 -3.085 13.787 0.564 1.00 0.00 C ATOM 1253 O LYS A 78 -3.817 14.532 -0.085 1.00 0.00 O ATOM 1254 CB LYS A 78 -2.967 14.168 3.026 1.00 0.00 C ATOM 1255 CG LYS A 78 -1.464 14.333 3.000 1.00 0.00 C ATOM 1256 CD LYS A 78 -1.058 15.690 3.512 1.00 0.00 C ATOM 1257 CE LYS A 78 0.442 15.830 3.547 1.00 0.00 C ATOM 1258 NZ LYS A 78 0.851 17.199 3.942 1.00 0.00 N ATOM 0 H LYS A 78 -2.208 11.819 2.729 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.592 13.232 1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.433 15.149 2.930 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.263 13.768 3.996 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.999 13.557 3.609 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.098 14.201 1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.484 16.465 2.875 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.464 15.841 4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.860 15.108 4.249 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.853 15.595 2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.889 17.261 3.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.473 17.885 3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.479 17.413 4.889 1.00 0.00 H new ATOM 1272 N GLU A 79 -1.907 13.378 0.125 1.00 0.00 N ATOM 1273 CA GLU A 79 -1.352 13.834 -1.125 1.00 0.00 C ATOM 1274 C GLU A 79 -2.030 13.124 -2.288 1.00 0.00 C ATOM 1275 O GLU A 79 -2.153 13.660 -3.392 1.00 0.00 O ATOM 1276 CB GLU A 79 0.149 13.551 -1.141 1.00 0.00 C ATOM 1277 CG GLU A 79 0.872 14.118 -2.343 1.00 0.00 C ATOM 1278 CD GLU A 79 0.992 15.626 -2.297 1.00 0.00 C ATOM 1279 OE1 GLU A 79 -0.009 16.316 -2.547 1.00 0.00 O ATOM 1280 OE2 GLU A 79 2.097 16.129 -2.010 1.00 0.00 O ATOM 0 H GLU A 79 -1.313 12.720 0.630 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.521 14.906 -1.227 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.595 13.962 -0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.305 12.473 -1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.869 13.680 -2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.342 13.828 -3.250 1.00 0.00 H new ATOM 1287 N LEU A 80 -2.483 11.914 -2.032 1.00 0.00 N ATOM 1288 CA LEU A 80 -3.136 11.104 -3.045 1.00 0.00 C ATOM 1289 C LEU A 80 -4.572 11.526 -3.267 1.00 0.00 C ATOM 1290 O LEU A 80 -5.192 11.146 -4.259 1.00 0.00 O ATOM 1291 CB LEU A 80 -3.106 9.653 -2.625 1.00 0.00 C ATOM 1292 CG LEU A 80 -1.730 9.033 -2.539 1.00 0.00 C ATOM 1293 CD1 LEU A 80 -1.789 7.770 -1.724 1.00 0.00 C ATOM 1294 CD2 LEU A 80 -1.198 8.747 -3.928 1.00 0.00 C ATOM 0 H LEU A 80 -2.410 11.464 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.595 11.244 -3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.588 9.564 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.703 9.075 -3.331 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.053 9.733 -2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.794 7.328 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.143 8.001 -0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.473 7.064 -2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.206 8.301 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.869 8.057 -4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.135 9.677 -4.492 1.00 0.00 H new ATOM 1306 N GLY A 81 -5.118 12.327 -2.364 1.00 0.00 N ATOM 1307 CA GLY A 81 -6.490 12.740 -2.540 1.00 0.00 C ATOM 1308 C GLY A 81 -7.476 11.651 -2.150 1.00 0.00 C ATOM 1309 O GLY A 81 -8.625 11.655 -2.601 1.00 0.00 O ATOM 0 H GLY A 81 -4.649 12.689 -1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.679 13.630 -1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.652 13.018 -3.581 1.00 0.00 H new ATOM 1313 N MET A 82 -7.043 10.690 -1.333 1.00 0.00 N ATOM 1314 CA MET A 82 -7.912 9.576 -1.004 1.00 0.00 C ATOM 1315 C MET A 82 -8.575 9.772 0.362 1.00 0.00 C ATOM 1316 O MET A 82 -8.083 10.526 1.208 1.00 0.00 O ATOM 1317 CB MET A 82 -7.189 8.224 -1.117 1.00 0.00 C ATOM 1318 CG MET A 82 -6.081 7.970 -0.119 1.00 0.00 C ATOM 1319 SD MET A 82 -5.206 6.435 -0.499 1.00 0.00 S ATOM 1320 CE MET A 82 -4.265 6.165 0.992 1.00 0.00 C ATOM 0 H MET A 82 -6.120 10.665 -0.900 1.00 0.00 H new ATOM 0 HA MET A 82 -8.710 9.555 -1.746 1.00 0.00 H new ATOM 0 HB2 MET A 82 -7.930 7.431 -1.015 1.00 0.00 H new ATOM 0 HB3 MET A 82 -6.771 8.143 -2.120 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.380 8.804 -0.129 1.00 0.00 H new ATOM 0 HG3 MET A 82 -6.498 7.916 0.887 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.016 5.107 1.078 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.348 6.752 0.955 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.856 6.470 1.856 1.00 0.00 H new ATOM 1330 N GLU A 83 -9.696 9.099 0.567 1.00 0.00 N ATOM 1331 CA GLU A 83 -10.507 9.269 1.772 1.00 0.00 C ATOM 1332 C GLU A 83 -10.584 7.949 2.548 1.00 0.00 C ATOM 1333 O GLU A 83 -9.989 6.955 2.150 1.00 0.00 O ATOM 1334 CB GLU A 83 -11.922 9.749 1.346 1.00 0.00 C ATOM 1335 CG GLU A 83 -12.870 10.139 2.479 1.00 0.00 C ATOM 1336 CD GLU A 83 -12.293 11.189 3.400 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -11.614 10.815 4.377 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -12.519 12.387 3.157 1.00 0.00 O ATOM 0 H GLU A 83 -10.073 8.419 -0.094 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.055 10.012 2.430 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.808 10.607 0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.392 8.957 0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.802 10.510 2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.117 9.251 3.060 1.00 0.00 H new ATOM 1345 N GLU A 84 -11.288 7.945 3.673 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.475 6.732 4.452 1.00 0.00 C ATOM 1347 C GLU A 84 -12.245 5.699 3.640 1.00 0.00 C ATOM 1348 O GLU A 84 -13.115 6.048 2.836 1.00 0.00 O ATOM 1349 CB GLU A 84 -12.214 7.028 5.761 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.599 7.628 5.584 1.00 0.00 C ATOM 1351 CD GLU A 84 -14.305 7.836 6.901 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -14.913 6.869 7.415 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -14.249 8.960 7.442 1.00 0.00 O ATOM 0 H GLU A 84 -11.739 8.771 4.065 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.491 6.332 4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.303 6.102 6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.610 7.712 6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.515 8.582 5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.199 6.973 4.952 1.00 0.00 H new ATOM 1360 N GLU A 85 -11.918 4.426 3.839 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.535 3.321 3.133 1.00 0.00 C ATOM 1362 C GLU A 85 -12.233 3.407 1.646 1.00 0.00 C ATOM 1363 O GLU A 85 -13.041 3.013 0.801 1.00 0.00 O ATOM 1364 CB GLU A 85 -14.040 3.258 3.400 1.00 0.00 C ATOM 1365 CG GLU A 85 -14.627 1.876 3.180 1.00 0.00 C ATOM 1366 CD GLU A 85 -16.068 1.782 3.588 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -16.338 1.503 4.777 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -16.945 1.963 2.720 1.00 0.00 O ATOM 0 H GLU A 85 -11.205 4.134 4.507 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.106 2.393 3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.234 3.569 4.426 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.548 3.970 2.750 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.535 1.611 2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.046 1.146 3.744 1.00 0.00 H new ATOM 1375 N ASP A 86 -11.058 3.918 1.318 1.00 0.00 N ATOM 1376 CA ASP A 86 -10.651 4.030 -0.062 1.00 0.00 C ATOM 1377 C ASP A 86 -9.962 2.760 -0.495 1.00 0.00 C ATOM 1378 O ASP A 86 -9.530 1.962 0.342 1.00 0.00 O ATOM 1379 CB ASP A 86 -9.718 5.201 -0.250 1.00 0.00 C ATOM 1380 CG ASP A 86 -10.034 5.969 -1.519 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -10.224 5.326 -2.574 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -10.124 7.221 -1.463 1.00 0.00 O ATOM 0 H ASP A 86 -10.373 4.260 1.992 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.540 4.191 -0.672 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.794 5.869 0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.689 4.844 -0.287 1.00 0.00 H new ATOM 1387 N VAL A 87 -9.854 2.549 -1.787 1.00 0.00 N ATOM 1388 CA VAL A 87 -9.235 1.351 -2.295 1.00 0.00 C ATOM 1389 C VAL A 87 -7.995 1.677 -3.127 1.00 0.00 C ATOM 1390 O VAL A 87 -7.943 2.683 -3.832 1.00 0.00 O ATOM 1391 CB VAL A 87 -10.243 0.512 -3.137 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -10.745 1.299 -4.336 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -9.628 -0.813 -3.575 1.00 0.00 C ATOM 0 H VAL A 87 -10.188 3.193 -2.504 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.924 0.757 -1.436 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.099 0.289 -2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.446 0.688 -4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.247 2.204 -3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -9.902 1.570 -4.972 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.355 -1.376 -4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.744 -0.620 -4.183 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.345 -1.391 -2.695 1.00 0.00 H new ATOM 1403 N ILE A 88 -6.996 0.822 -3.034 1.00 0.00 N ATOM 1404 CA ILE A 88 -5.775 0.974 -3.799 1.00 0.00 C ATOM 1405 C ILE A 88 -5.609 -0.261 -4.669 1.00 0.00 C ATOM 1406 O ILE A 88 -6.019 -1.364 -4.281 1.00 0.00 O ATOM 1407 CB ILE A 88 -4.530 1.124 -2.891 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -4.741 2.230 -1.839 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -3.286 1.407 -3.727 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.797 3.621 -2.409 1.00 0.00 C ATOM 0 H ILE A 88 -7.008 0.003 -2.426 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.853 1.881 -4.398 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.383 0.182 -2.363 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.668 2.032 -1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.933 2.181 -1.109 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.422 1.509 -3.070 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.119 0.583 -4.421 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.427 2.331 -4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.948 4.339 -1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -3.861 3.842 -2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.623 3.691 -3.116 1.00 0.00 H new ATOM 1422 N GLU A 89 -5.024 -0.100 -5.830 1.00 0.00 N ATOM 1423 CA GLU A 89 -4.886 -1.193 -6.760 1.00 0.00 C ATOM 1424 C GLU A 89 -3.426 -1.619 -6.885 1.00 0.00 C ATOM 1425 O GLU A 89 -2.574 -0.861 -7.349 1.00 0.00 O ATOM 1426 CB GLU A 89 -5.423 -0.767 -8.111 1.00 0.00 C ATOM 1427 CG GLU A 89 -6.624 0.156 -8.017 1.00 0.00 C ATOM 1428 CD GLU A 89 -7.138 0.581 -9.373 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -6.522 1.477 -9.991 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -8.168 0.033 -9.826 1.00 0.00 O ATOM 0 H GLU A 89 -4.633 0.784 -6.155 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.455 -2.046 -6.391 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.631 -0.265 -8.667 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -5.699 -1.654 -8.680 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.422 -0.347 -7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.353 1.041 -7.441 1.00 0.00 H new ATOM 1437 N VAL A 90 -3.132 -2.813 -6.441 1.00 0.00 N ATOM 1438 CA VAL A 90 -1.789 -3.347 -6.511 1.00 0.00 C ATOM 1439 C VAL A 90 -1.590 -4.158 -7.781 1.00 0.00 C ATOM 1440 O VAL A 90 -2.145 -5.251 -7.942 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.474 -4.220 -5.281 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.086 -4.813 -5.376 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -1.614 -3.408 -4.016 1.00 0.00 C ATOM 0 H VAL A 90 -3.813 -3.445 -6.020 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.103 -2.500 -6.524 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.190 -5.042 -5.254 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.110 -5.424 -4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.015 -5.432 -6.270 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.650 -4.010 -5.431 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.389 -4.036 -3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.920 -2.568 -4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.634 -3.033 -3.935 1.00 0.00 H new ATOM 1453 N TYR A 91 -0.789 -3.630 -8.675 1.00 0.00 N ATOM 1454 CA TYR A 91 -0.532 -4.269 -9.950 1.00 0.00 C ATOM 1455 C TYR A 91 0.750 -5.060 -9.884 1.00 0.00 C ATOM 1456 O TYR A 91 1.712 -4.641 -9.248 1.00 0.00 O ATOM 1457 CB TYR A 91 -0.434 -3.230 -11.057 1.00 0.00 C ATOM 1458 CG TYR A 91 -1.713 -2.463 -11.296 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -2.076 -1.421 -10.465 1.00 0.00 C ATOM 1460 CD2 TYR A 91 -2.551 -2.779 -12.354 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -3.232 -0.711 -10.674 1.00 0.00 C ATOM 1462 CE2 TYR A 91 -3.717 -2.071 -12.574 1.00 0.00 C ATOM 1463 CZ TYR A 91 -4.053 -1.039 -11.728 1.00 0.00 C ATOM 1464 OH TYR A 91 -5.213 -0.326 -11.942 1.00 0.00 O ATOM 0 H TYR A 91 -0.296 -2.747 -8.543 1.00 0.00 H new ATOM 0 HA TYR A 91 -1.360 -4.942 -10.170 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.359 -2.525 -10.810 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -0.142 -3.727 -11.982 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -1.437 -1.160 -9.634 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.289 -3.591 -13.016 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.496 0.102 -10.014 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.360 -2.326 -13.404 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.339 0.319 -11.215 1.00 0.00 H new ATOM 1474 N GLN A 92 0.778 -6.189 -10.550 1.00 0.00 N ATOM 1475 CA GLN A 92 1.942 -7.049 -10.537 1.00 0.00 C ATOM 1476 C GLN A 92 2.960 -6.582 -11.561 1.00 0.00 C ATOM 1477 O GLN A 92 2.677 -6.513 -12.761 1.00 0.00 O ATOM 1478 CB GLN A 92 1.523 -8.491 -10.806 1.00 0.00 C ATOM 1479 CG GLN A 92 2.441 -9.558 -10.201 1.00 0.00 C ATOM 1480 CD GLN A 92 3.821 -9.613 -10.826 1.00 0.00 C ATOM 1481 OE1 GLN A 92 3.999 -9.321 -12.005 1.00 0.00 O ATOM 1482 NE2 GLN A 92 4.798 -9.992 -10.039 1.00 0.00 N ATOM 0 H GLN A 92 0.002 -6.538 -11.113 1.00 0.00 H new ATOM 0 HA GLN A 92 2.409 -6.999 -9.553 1.00 0.00 H new ATOM 0 HB2 GLN A 92 0.515 -8.639 -10.418 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.475 -8.644 -11.884 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.545 -9.369 -9.133 1.00 0.00 H new ATOM 0 HG3 GLN A 92 1.966 -10.533 -10.308 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.607 -10.226 -9.065 1.00 0.00 H new ATOM 0 HE22 GLN A 92 5.750 -10.053 -10.401 1.00 0.00 H new ATOM 1491 N GLU A 93 4.138 -6.260 -11.071 1.00 0.00 N ATOM 1492 CA GLU A 93 5.252 -5.809 -11.871 1.00 0.00 C ATOM 1493 C GLU A 93 6.397 -5.489 -10.940 1.00 0.00 C ATOM 1494 O GLU A 93 6.222 -4.776 -9.947 1.00 0.00 O ATOM 1495 CB GLU A 93 4.887 -4.575 -12.713 1.00 0.00 C ATOM 1496 CG GLU A 93 6.022 -4.079 -13.597 1.00 0.00 C ATOM 1497 CD GLU A 93 5.643 -2.875 -14.428 1.00 0.00 C ATOM 1498 OE1 GLU A 93 4.861 -3.031 -15.391 1.00 0.00 O ATOM 1499 OE2 GLU A 93 6.130 -1.763 -14.132 1.00 0.00 O ATOM 0 H GLU A 93 4.351 -6.307 -10.075 1.00 0.00 H new ATOM 0 HA GLU A 93 5.533 -6.597 -12.570 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.028 -4.815 -13.340 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.579 -3.770 -12.046 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.878 -3.826 -12.971 1.00 0.00 H new ATOM 0 HG3 GLU A 93 6.338 -4.885 -14.259 1.00 0.00 H new ATOM 1506 N GLN A 94 7.562 -6.015 -11.243 1.00 0.00 N ATOM 1507 CA GLN A 94 8.715 -5.817 -10.388 1.00 0.00 C ATOM 1508 C GLN A 94 9.116 -4.352 -10.374 1.00 0.00 C ATOM 1509 O GLN A 94 9.133 -3.686 -11.410 1.00 0.00 O ATOM 1510 CB GLN A 94 9.889 -6.704 -10.820 1.00 0.00 C ATOM 1511 CG GLN A 94 10.315 -6.527 -12.266 1.00 0.00 C ATOM 1512 CD GLN A 94 11.537 -7.349 -12.618 1.00 0.00 C ATOM 1513 OE1 GLN A 94 11.777 -8.410 -12.042 1.00 0.00 O ATOM 1514 NE2 GLN A 94 12.313 -6.870 -13.566 1.00 0.00 N ATOM 0 H GLN A 94 7.738 -6.582 -12.072 1.00 0.00 H new ATOM 0 HA GLN A 94 8.440 -6.110 -9.375 1.00 0.00 H new ATOM 0 HB2 GLN A 94 10.742 -6.494 -10.175 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.617 -7.747 -10.660 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.491 -6.810 -12.921 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.524 -5.474 -12.453 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.079 -5.987 -14.019 1.00 0.00 H new ATOM 0 HE22 GLN A 94 13.149 -7.382 -13.848 1.00 0.00 H new ATOM 1523 N THR A 95 9.428 -3.836 -9.205 1.00 0.00 N ATOM 1524 CA THR A 95 9.812 -2.450 -9.060 1.00 0.00 C ATOM 1525 C THR A 95 11.172 -2.397 -8.367 1.00 0.00 C ATOM 1526 O THR A 95 11.681 -1.334 -8.005 1.00 0.00 O ATOM 1527 CB THR A 95 8.744 -1.666 -8.234 1.00 0.00 C ATOM 1528 OG1 THR A 95 9.077 -0.270 -8.159 1.00 0.00 O ATOM 1529 CG2 THR A 95 8.615 -2.236 -6.823 1.00 0.00 C ATOM 0 H THR A 95 9.423 -4.363 -8.332 1.00 0.00 H new ATOM 0 HA THR A 95 9.878 -1.981 -10.042 1.00 0.00 H new ATOM 0 HB THR A 95 7.789 -1.776 -8.748 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.042 -0.171 -8.018 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.865 -1.671 -6.270 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.314 -3.282 -6.879 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.575 -2.162 -6.312 1.00 0.00 H new ATOM 1537 N GLY A 96 11.757 -3.569 -8.203 1.00 0.00 N ATOM 1538 CA GLY A 96 13.029 -3.709 -7.550 1.00 0.00 C ATOM 1539 C GLY A 96 13.259 -5.135 -7.128 1.00 0.00 C ATOM 1540 O GLY A 96 12.422 -6.007 -7.391 1.00 0.00 O ATOM 0 H GLY A 96 11.355 -4.450 -8.523 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.825 -3.391 -8.223 1.00 0.00 H new ATOM 0 HA3 GLY A 96 13.069 -3.056 -6.678 1.00 0.00 H new ATOM 1544 N GLY A 97 14.368 -5.395 -6.475 1.00 0.00 N ATOM 1545 CA GLY A 97 14.663 -6.739 -6.039 1.00 0.00 C ATOM 1546 C GLY A 97 15.921 -7.262 -6.672 1.00 0.00 C ATOM 1547 O GLY A 97 15.844 -7.853 -7.764 1.00 0.00 O ATOM 1548 OXT GLY A 97 17.004 -7.062 -6.095 1.00 0.00 O ATOM 0 H GLY A 97 15.075 -4.700 -6.236 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.767 -6.756 -4.954 1.00 0.00 H new ATOM 0 HA3 GLY A 97 13.829 -7.395 -6.290 1.00 0.00 H new TER 1552 GLY A 97