USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 938 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 70 MET CE :methyl -124:sc= -1.25 (180deg=-4.99!) USER MOD Set 1.2: A 72 GLN : amide:sc= -1.32 K(o=-2.6,f=-1.9) USER MOD Set 2.1: A 48 GLN : amide:sc= -2.52 K(o=-2.7,f=-1.3) USER MOD Set 2.2: A 99 GLN : amide:sc= -0.148 K(o=-2.7,f=-5!) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.133 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -15.9! C(o=-16!,f=-23!) USER MOD Single : A 18 HIS : no HD1:sc= -11! C(o=-11!,f=-9.1!) USER MOD Single : A 19 GLN : amide:sc= -2.88! K(o=-2.9!,f=0.45) USER MOD Single : A 23 TYR OH : rot 19:sc= -0.472 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.18 K(o=-0.18,f=-2.3!) USER MOD Single : A 30 THR OG1 : rot 67:sc= 1.38 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0144 USER MOD Single : A 40 SER OG : rot 73:sc= 0.189 USER MOD Single : A 47 GLN : amide:sc= -4.01! C(o=-4!,f=-3.6!) USER MOD Single : A 50 GLN : amide:sc= -1.91! K(o=-1.9!,f=-0.8) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -1.29 K(o=-1.3,f=-2.1) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -42:sc= 0.856 USER MOD Single : A 66 GLN : amide:sc= -8.99! C(o=-9!,f=-15!) USER MOD Single : A 74 TYR OH : rot 109:sc= 0.185 USER MOD Single : A 79 TYR OH : rot -128:sc= -2.3! USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.19) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0109 X(o=-0.011,f=-4.4e-05) USER MOD Single : A 90 GLN : amide:sc= -2.07 K(o=-2.1,f=-6.7!) USER MOD Single : A 91 HIS : no HD1:sc= -17.7! C(o=-18!,f=-13!) USER MOD Single : A 92 HIS : no HD1:sc= -4.87! K(o=-4.9!,f=-3) USER MOD Single : A 94 MET CE :methyl -118:sc= -5.53! (180deg=-12.2!) USER MOD Single : A 104 LYS NZ :NH3+ -115:sc= 0.358 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.491 5.480 -19.697 1.00 0.00 N ATOM 2 CA GLY A 1 -29.884 6.796 -19.800 1.00 0.00 C ATOM 3 C GLY A 1 -28.392 6.688 -20.123 1.00 0.00 C ATOM 4 O GLY A 1 -27.875 5.591 -20.325 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.259 5.396 -20.393 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.773 4.751 -19.884 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.876 5.349 -18.740 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.387 7.373 -20.576 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.019 7.337 -18.863 1.00 0.00 H new ATOM 8 N SER A 2 -27.742 7.842 -20.161 1.00 0.00 N ATOM 9 CA SER A 2 -26.320 7.891 -20.456 1.00 0.00 C ATOM 10 C SER A 2 -25.539 7.119 -19.392 1.00 0.00 C ATOM 11 O SER A 2 -26.118 6.631 -18.422 1.00 0.00 O ATOM 12 CB SER A 2 -25.824 9.336 -20.535 1.00 0.00 C ATOM 13 OG SER A 2 -26.348 10.019 -21.671 1.00 0.00 O ATOM 0 H SER A 2 -28.174 8.750 -19.992 1.00 0.00 H new ATOM 0 HA SER A 2 -26.155 7.425 -21.428 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.111 9.868 -19.628 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.735 9.344 -20.578 1.00 0.00 H new ATOM 0 HG SER A 2 -26.009 10.939 -21.685 1.00 0.00 H new ATOM 19 N MET A 3 -24.235 7.031 -19.609 1.00 0.00 N ATOM 20 CA MET A 3 -23.367 6.327 -18.681 1.00 0.00 C ATOM 21 C MET A 3 -21.894 6.577 -19.009 1.00 0.00 C ATOM 22 O MET A 3 -21.280 5.812 -19.752 1.00 0.00 O ATOM 23 CB MET A 3 -23.658 4.826 -18.750 1.00 0.00 C ATOM 24 CG MET A 3 -23.729 4.216 -17.349 1.00 0.00 C ATOM 25 SD MET A 3 -25.168 4.830 -16.488 1.00 0.00 S ATOM 26 CE MET A 3 -24.634 4.614 -14.799 1.00 0.00 C ATOM 0 H MET A 3 -23.758 7.436 -20.415 1.00 0.00 H new ATOM 0 HA MET A 3 -23.563 6.699 -17.676 1.00 0.00 H new ATOM 0 HB2 MET A 3 -24.600 4.658 -19.272 1.00 0.00 H new ATOM 0 HB3 MET A 3 -22.880 4.327 -19.329 1.00 0.00 H new ATOM 0 HG2 MET A 3 -23.773 3.129 -17.418 1.00 0.00 H new ATOM 0 HG3 MET A 3 -22.827 4.464 -16.789 1.00 0.00 H new ATOM 0 HE1 MET A 3 -25.420 4.951 -14.123 1.00 0.00 H new ATOM 0 HE2 MET A 3 -24.424 3.560 -14.616 1.00 0.00 H new ATOM 0 HE3 MET A 3 -23.731 5.199 -14.625 1.00 0.00 H new ATOM 36 N ALA A 4 -21.368 7.651 -18.439 1.00 0.00 N ATOM 37 CA ALA A 4 -19.979 8.012 -18.661 1.00 0.00 C ATOM 38 C ALA A 4 -19.076 6.876 -18.174 1.00 0.00 C ATOM 39 O ALA A 4 -19.485 6.067 -17.343 1.00 0.00 O ATOM 40 CB ALA A 4 -19.677 9.338 -17.959 1.00 0.00 C ATOM 0 H ALA A 4 -21.880 8.283 -17.823 1.00 0.00 H new ATOM 0 HA ALA A 4 -19.785 8.154 -19.724 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -18.634 9.609 -18.126 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -20.323 10.118 -18.361 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -19.858 9.233 -16.889 1.00 0.00 H new ATOM 46 N GLY A 5 -17.866 6.852 -18.713 1.00 0.00 N ATOM 47 CA GLY A 5 -16.904 5.829 -18.344 1.00 0.00 C ATOM 48 C GLY A 5 -16.582 5.892 -16.849 1.00 0.00 C ATOM 49 O GLY A 5 -17.483 6.033 -16.023 1.00 0.00 O ATOM 0 H GLY A 5 -17.530 7.525 -19.402 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -17.301 4.845 -18.593 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -15.989 5.959 -18.922 1.00 0.00 H new ATOM 53 N GLU A 6 -15.296 5.786 -16.547 1.00 0.00 N ATOM 54 CA GLU A 6 -14.846 5.828 -15.167 1.00 0.00 C ATOM 55 C GLU A 6 -13.320 5.930 -15.109 1.00 0.00 C ATOM 56 O GLU A 6 -12.633 5.544 -16.054 1.00 0.00 O ATOM 57 CB GLU A 6 -15.343 4.607 -14.390 1.00 0.00 C ATOM 58 CG GLU A 6 -14.606 3.340 -14.830 1.00 0.00 C ATOM 59 CD GLU A 6 -15.403 2.087 -14.461 1.00 0.00 C ATOM 60 OE1 GLU A 6 -15.742 1.285 -15.344 1.00 0.00 O ATOM 61 OE2 GLU A 6 -15.668 1.960 -13.205 1.00 0.00 O ATOM 0 H GLU A 6 -14.552 5.671 -17.235 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.269 6.715 -14.695 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.195 4.766 -13.322 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.414 4.482 -14.548 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.441 3.366 -15.907 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.624 3.303 -14.358 1.00 0.00 H new ATOM 69 N ASP A 7 -12.836 6.453 -13.992 1.00 0.00 N ATOM 70 CA ASP A 7 -11.404 6.610 -13.799 1.00 0.00 C ATOM 71 C ASP A 7 -10.945 5.692 -12.665 1.00 0.00 C ATOM 72 O ASP A 7 -11.641 5.542 -11.662 1.00 0.00 O ATOM 73 CB ASP A 7 -11.054 8.048 -13.414 1.00 0.00 C ATOM 74 CG ASP A 7 -12.078 9.100 -13.846 1.00 0.00 C ATOM 75 OD1 ASP A 7 -12.573 9.885 -13.023 1.00 0.00 O ATOM 76 OD2 ASP A 7 -12.368 9.095 -15.102 1.00 0.00 O ATOM 0 H ASP A 7 -13.409 6.773 -13.212 1.00 0.00 H new ATOM 0 HA ASP A 7 -10.907 6.357 -14.736 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -10.936 8.100 -12.332 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.089 8.301 -13.852 1.00 0.00 H new ATOM 82 N VAL A 8 -9.774 5.100 -12.862 1.00 0.00 N ATOM 83 CA VAL A 8 -9.213 4.201 -11.868 1.00 0.00 C ATOM 84 C VAL A 8 -9.323 4.845 -10.485 1.00 0.00 C ATOM 85 O VAL A 8 -9.680 6.016 -10.367 1.00 0.00 O ATOM 86 CB VAL A 8 -7.777 3.835 -12.246 1.00 0.00 C ATOM 87 CG1 VAL A 8 -7.255 2.691 -11.374 1.00 0.00 C ATOM 88 CG2 VAL A 8 -7.673 3.484 -13.731 1.00 0.00 C ATOM 0 H VAL A 8 -9.200 5.226 -13.695 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.774 3.267 -11.836 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.150 4.708 -12.064 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.232 2.450 -11.663 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.274 2.994 -10.327 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.886 1.813 -11.510 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.642 3.228 -13.973 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.319 2.634 -13.950 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.984 4.340 -14.330 1.00 0.00 H new ATOM 98 N GLY A 9 -9.009 4.051 -9.471 1.00 0.00 N ATOM 99 CA GLY A 9 -9.067 4.529 -8.100 1.00 0.00 C ATOM 100 C GLY A 9 -7.675 4.916 -7.596 1.00 0.00 C ATOM 101 O GLY A 9 -7.444 6.064 -7.220 1.00 0.00 O ATOM 0 H GLY A 9 -8.714 3.080 -9.572 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.732 5.390 -8.039 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.488 3.755 -7.458 1.00 0.00 H new ATOM 105 N ALA A 10 -6.783 3.936 -7.605 1.00 0.00 N ATOM 106 CA ALA A 10 -5.421 4.160 -7.152 1.00 0.00 C ATOM 107 C ALA A 10 -4.513 3.066 -7.718 1.00 0.00 C ATOM 108 O ALA A 10 -4.912 1.906 -7.804 1.00 0.00 O ATOM 109 CB ALA A 10 -5.392 4.207 -5.622 1.00 0.00 C ATOM 0 H ALA A 10 -6.977 2.985 -7.919 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.049 5.118 -7.515 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.370 4.375 -5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.029 5.019 -5.271 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.756 3.261 -5.222 1.00 0.00 H new ATOM 115 N PRO A 11 -3.277 3.486 -8.099 1.00 0.00 N ATOM 116 CA PRO A 11 -2.310 2.555 -8.655 1.00 0.00 C ATOM 117 C PRO A 11 -1.710 1.669 -7.561 1.00 0.00 C ATOM 118 O PRO A 11 -1.973 1.874 -6.377 1.00 0.00 O ATOM 119 CB PRO A 11 -1.275 3.428 -9.346 1.00 0.00 C ATOM 120 CG PRO A 11 -1.446 4.820 -8.760 1.00 0.00 C ATOM 121 CD PRO A 11 -2.770 4.852 -8.013 1.00 0.00 C ATOM 0 HA PRO A 11 -2.758 1.856 -9.362 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.267 3.052 -9.171 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.429 3.437 -10.425 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.622 5.054 -8.086 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.435 5.571 -9.550 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.632 5.159 -6.976 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.463 5.561 -8.466 1.00 0.00 H new ATOM 129 N PRO A 12 -0.891 0.679 -8.007 1.00 0.00 N ATOM 130 CA PRO A 12 -0.251 -0.238 -7.080 1.00 0.00 C ATOM 131 C PRO A 12 0.911 0.442 -6.353 1.00 0.00 C ATOM 132 O PRO A 12 2.034 0.466 -6.855 1.00 0.00 O ATOM 133 CB PRO A 12 0.190 -1.416 -7.933 1.00 0.00 C ATOM 134 CG PRO A 12 0.197 -0.913 -9.366 1.00 0.00 C ATOM 135 CD PRO A 12 -0.555 0.407 -9.402 1.00 0.00 C ATOM 0 HA PRO A 12 -0.920 -0.568 -6.285 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.179 -1.764 -7.636 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.492 -2.258 -7.818 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.220 -0.779 -9.718 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.275 -1.639 -10.027 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.060 1.202 -9.824 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.451 0.336 -10.019 1.00 0.00 H new ATOM 143 N ASP A 13 0.602 0.976 -5.180 1.00 0.00 N ATOM 144 CA ASP A 13 1.606 1.652 -4.378 1.00 0.00 C ATOM 145 C ASP A 13 2.911 0.853 -4.421 1.00 0.00 C ATOM 146 O ASP A 13 3.996 1.425 -4.329 1.00 0.00 O ATOM 147 CB ASP A 13 1.165 1.758 -2.916 1.00 0.00 C ATOM 148 CG ASP A 13 2.191 2.394 -1.975 1.00 0.00 C ATOM 149 OD1 ASP A 13 3.053 3.176 -2.405 1.00 0.00 O ATOM 150 OD2 ASP A 13 2.079 2.054 -0.736 1.00 0.00 O ATOM 0 H ASP A 13 -0.330 0.954 -4.766 1.00 0.00 H new ATOM 0 HA ASP A 13 1.745 2.653 -4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.244 2.339 -2.871 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.929 0.759 -2.550 1.00 0.00 H new ATOM 156 N HIS A 14 2.761 -0.455 -4.564 1.00 0.00 N ATOM 157 CA HIS A 14 3.914 -1.339 -4.621 1.00 0.00 C ATOM 158 C HIS A 14 3.579 -2.565 -5.473 1.00 0.00 C ATOM 159 O HIS A 14 2.431 -3.006 -5.509 1.00 0.00 O ATOM 160 CB HIS A 14 4.386 -1.706 -3.212 1.00 0.00 C ATOM 161 CG HIS A 14 3.776 -2.978 -2.673 1.00 0.00 C ATOM 162 ND1 HIS A 14 3.162 -3.048 -1.434 1.00 0.00 N ATOM 163 CD2 HIS A 14 3.691 -4.226 -3.216 1.00 0.00 C ATOM 164 CE1 HIS A 14 2.732 -4.288 -1.250 1.00 0.00 C ATOM 165 NE2 HIS A 14 3.062 -5.016 -2.355 1.00 0.00 N ATOM 0 H HIS A 14 1.859 -0.925 -4.642 1.00 0.00 H new ATOM 0 HA HIS A 14 4.748 -0.825 -5.099 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.471 -1.810 -3.219 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.148 -0.886 -2.535 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.071 -4.521 -4.183 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.212 -4.657 -0.378 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.859 -6.005 -2.496 1.00 0.00 H new ATOM 173 N LEU A 15 4.602 -3.079 -6.138 1.00 0.00 N ATOM 174 CA LEU A 15 4.432 -4.246 -6.988 1.00 0.00 C ATOM 175 C LEU A 15 5.484 -5.295 -6.625 1.00 0.00 C ATOM 176 O LEU A 15 6.597 -4.951 -6.228 1.00 0.00 O ATOM 177 CB LEU A 15 4.451 -3.841 -8.463 1.00 0.00 C ATOM 178 CG LEU A 15 3.224 -3.078 -8.966 1.00 0.00 C ATOM 179 CD1 LEU A 15 3.508 -2.405 -10.311 1.00 0.00 C ATOM 180 CD2 LEU A 15 1.998 -3.991 -9.030 1.00 0.00 C ATOM 0 H LEU A 15 5.552 -2.709 -6.106 1.00 0.00 H new ATOM 0 HA LEU A 15 3.456 -4.702 -6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.334 -3.226 -8.639 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.565 -4.742 -9.065 1.00 0.00 H new ATOM 0 HG LEU A 15 2.999 -2.286 -8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.619 -1.870 -10.645 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.334 -1.702 -10.199 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.774 -3.163 -11.048 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.140 -3.423 -9.391 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.197 -4.820 -9.710 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.783 -4.381 -8.035 1.00 0.00 H new ATOM 192 N TRP A 16 5.095 -6.552 -6.773 1.00 0.00 N ATOM 193 CA TRP A 16 5.992 -7.654 -6.465 1.00 0.00 C ATOM 194 C TRP A 16 5.954 -8.635 -7.639 1.00 0.00 C ATOM 195 O TRP A 16 4.940 -9.291 -7.872 1.00 0.00 O ATOM 196 CB TRP A 16 5.624 -8.304 -5.130 1.00 0.00 C ATOM 197 CG TRP A 16 5.947 -7.442 -3.908 1.00 0.00 C ATOM 198 CD1 TRP A 16 7.040 -6.699 -3.689 1.00 0.00 C ATOM 199 CD2 TRP A 16 5.119 -7.261 -2.740 1.00 0.00 C ATOM 200 NE1 TRP A 16 6.978 -6.057 -2.469 1.00 0.00 N ATOM 201 CE2 TRP A 16 5.773 -6.409 -1.874 1.00 0.00 C ATOM 202 CE3 TRP A 16 3.860 -7.801 -2.426 1.00 0.00 C ATOM 203 CZ2 TRP A 16 5.245 -6.021 -0.637 1.00 0.00 C ATOM 204 CZ3 TRP A 16 3.346 -7.403 -1.185 1.00 0.00 C ATOM 205 CH2 TRP A 16 3.991 -6.546 -0.302 1.00 0.00 C ATOM 0 H TRP A 16 4.171 -6.833 -7.102 1.00 0.00 H new ATOM 0 HA TRP A 16 7.015 -7.297 -6.342 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.558 -8.531 -5.130 1.00 0.00 H new ATOM 0 HB3 TRP A 16 6.152 -9.253 -5.042 1.00 0.00 H new ATOM 0 HD1 TRP A 16 7.866 -6.613 -4.380 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.687 -5.438 -2.076 1.00 0.00 H new ATOM 0 HE3 TRP A 16 3.331 -8.470 -3.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.777 -5.352 0.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.380 -7.790 -0.894 1.00 0.00 H new ATOM 0 HH2 TRP A 16 3.527 -6.286 0.638 1.00 0.00 H new ATOM 216 N VAL A 17 7.072 -8.706 -8.346 1.00 0.00 N ATOM 217 CA VAL A 17 7.180 -9.597 -9.488 1.00 0.00 C ATOM 218 C VAL A 17 7.241 -11.045 -8.997 1.00 0.00 C ATOM 219 O VAL A 17 8.144 -11.413 -8.247 1.00 0.00 O ATOM 220 CB VAL A 17 8.387 -9.206 -10.345 1.00 0.00 C ATOM 221 CG1 VAL A 17 9.698 -9.530 -9.626 1.00 0.00 C ATOM 222 CG2 VAL A 17 8.330 -9.887 -11.714 1.00 0.00 C ATOM 0 H VAL A 17 7.911 -8.161 -8.150 1.00 0.00 H new ATOM 0 HA VAL A 17 6.301 -9.507 -10.126 1.00 0.00 H new ATOM 0 HB VAL A 17 8.350 -8.128 -10.504 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.539 -9.242 -10.256 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.744 -8.979 -8.687 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.746 -10.600 -9.422 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.199 -9.593 -12.303 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.330 -10.969 -11.582 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.420 -9.585 -12.233 1.00 0.00 H new ATOM 232 N HIS A 18 6.266 -11.827 -9.438 1.00 0.00 N ATOM 233 CA HIS A 18 6.198 -13.227 -9.053 1.00 0.00 C ATOM 234 C HIS A 18 6.365 -14.108 -10.292 1.00 0.00 C ATOM 235 O HIS A 18 6.947 -15.189 -10.215 1.00 0.00 O ATOM 236 CB HIS A 18 4.905 -13.517 -8.289 1.00 0.00 C ATOM 237 CG HIS A 18 4.629 -14.987 -8.084 1.00 0.00 C ATOM 238 ND1 HIS A 18 4.293 -15.523 -6.853 1.00 0.00 N ATOM 239 CD2 HIS A 18 4.644 -16.028 -8.966 1.00 0.00 C ATOM 240 CE1 HIS A 18 4.115 -16.827 -6.999 1.00 0.00 C ATOM 241 NE2 HIS A 18 4.334 -17.139 -8.308 1.00 0.00 N ATOM 0 H HIS A 18 5.517 -11.518 -10.058 1.00 0.00 H new ATOM 0 HA HIS A 18 7.015 -13.461 -8.371 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.952 -13.028 -7.316 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.069 -13.073 -8.829 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.870 -15.960 -10.020 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.844 -17.522 -6.218 1.00 0.00 H new ATOM 0 HE2 HIS A 18 4.270 -18.072 -8.715 1.00 0.00 H new ATOM 249 N GLN A 19 5.844 -13.614 -11.406 1.00 0.00 N ATOM 250 CA GLN A 19 5.928 -14.344 -12.659 1.00 0.00 C ATOM 251 C GLN A 19 6.499 -13.446 -13.759 1.00 0.00 C ATOM 252 O GLN A 19 6.496 -12.222 -13.630 1.00 0.00 O ATOM 253 CB GLN A 19 4.561 -14.901 -13.062 1.00 0.00 C ATOM 254 CG GLN A 19 4.348 -16.301 -12.482 1.00 0.00 C ATOM 255 CD GLN A 19 3.969 -17.297 -13.579 1.00 0.00 C ATOM 256 OE1 GLN A 19 4.774 -18.088 -14.041 1.00 0.00 O ATOM 257 NE2 GLN A 19 2.700 -17.215 -13.970 1.00 0.00 N ATOM 0 H GLN A 19 5.362 -12.717 -11.466 1.00 0.00 H new ATOM 0 HA GLN A 19 6.602 -15.189 -12.520 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.774 -14.234 -12.710 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.485 -14.938 -14.149 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.258 -16.634 -11.982 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.563 -16.270 -11.727 1.00 0.00 H new ATOM 0 HE21 GLN A 19 2.078 -16.530 -13.542 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.349 -17.838 -14.698 1.00 0.00 H new ATOM 266 N GLU A 20 6.978 -14.089 -14.814 1.00 0.00 N ATOM 267 CA GLU A 20 7.551 -13.364 -15.935 1.00 0.00 C ATOM 268 C GLU A 20 6.551 -12.337 -16.471 1.00 0.00 C ATOM 269 O GLU A 20 5.520 -12.703 -17.032 1.00 0.00 O ATOM 270 CB GLU A 20 7.994 -14.324 -17.040 1.00 0.00 C ATOM 271 CG GLU A 20 8.845 -13.602 -18.086 1.00 0.00 C ATOM 272 CD GLU A 20 8.695 -14.255 -19.462 1.00 0.00 C ATOM 273 OE1 GLU A 20 8.395 -15.455 -19.549 1.00 0.00 O ATOM 274 OE2 GLU A 20 8.902 -13.469 -20.464 1.00 0.00 O ATOM 0 H GLU A 20 6.981 -15.104 -14.916 1.00 0.00 H new ATOM 0 HA GLU A 20 8.435 -12.832 -15.584 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.564 -15.145 -16.606 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.118 -14.762 -17.518 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.547 -12.555 -18.142 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.892 -13.620 -17.783 1.00 0.00 H new ATOM 282 N GLY A 21 6.891 -11.070 -16.276 1.00 0.00 N ATOM 283 CA GLY A 21 6.035 -9.988 -16.731 1.00 0.00 C ATOM 284 C GLY A 21 4.775 -9.884 -15.868 1.00 0.00 C ATOM 285 O GLY A 21 3.733 -9.432 -16.337 1.00 0.00 O ATOM 0 H GLY A 21 7.747 -10.770 -15.809 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.583 -9.047 -16.695 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.755 -10.154 -17.771 1.00 0.00 H new ATOM 289 N ILE A 22 4.915 -10.309 -14.621 1.00 0.00 N ATOM 290 CA ILE A 22 3.802 -10.269 -13.687 1.00 0.00 C ATOM 291 C ILE A 22 4.243 -9.561 -12.404 1.00 0.00 C ATOM 292 O ILE A 22 5.435 -9.493 -12.107 1.00 0.00 O ATOM 293 CB ILE A 22 3.248 -11.676 -13.455 1.00 0.00 C ATOM 294 CG1 ILE A 22 2.366 -12.118 -14.624 1.00 0.00 C ATOM 295 CG2 ILE A 22 2.510 -11.759 -12.117 1.00 0.00 C ATOM 296 CD1 ILE A 22 3.207 -12.744 -15.738 1.00 0.00 C ATOM 0 H ILE A 22 5.782 -10.683 -14.235 1.00 0.00 H new ATOM 0 HA ILE A 22 2.976 -9.691 -14.102 1.00 0.00 H new ATOM 0 HB ILE A 22 4.087 -12.370 -13.405 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.626 -12.837 -14.274 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.818 -11.261 -15.015 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.126 -12.769 -11.976 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.197 -11.515 -11.307 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.681 -11.052 -12.114 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.556 -13.050 -16.557 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.930 -12.014 -16.102 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.735 -13.615 -15.350 1.00 0.00 H new ATOM 308 N TYR A 23 3.258 -9.052 -11.680 1.00 0.00 N ATOM 309 CA TYR A 23 3.530 -8.352 -10.435 1.00 0.00 C ATOM 310 C TYR A 23 2.326 -8.422 -9.493 1.00 0.00 C ATOM 311 O TYR A 23 1.182 -8.456 -9.943 1.00 0.00 O ATOM 312 CB TYR A 23 3.778 -6.891 -10.819 1.00 0.00 C ATOM 313 CG TYR A 23 5.241 -6.569 -11.131 1.00 0.00 C ATOM 314 CD1 TYR A 23 6.117 -6.277 -10.104 1.00 0.00 C ATOM 315 CD2 TYR A 23 5.684 -6.571 -12.437 1.00 0.00 C ATOM 316 CE1 TYR A 23 7.494 -5.974 -10.398 1.00 0.00 C ATOM 317 CE2 TYR A 23 7.061 -6.267 -12.731 1.00 0.00 C ATOM 318 CZ TYR A 23 7.898 -5.984 -11.696 1.00 0.00 C ATOM 319 OH TYR A 23 9.198 -5.699 -11.973 1.00 0.00 O ATOM 0 H TYR A 23 2.271 -9.110 -11.931 1.00 0.00 H new ATOM 0 HA TYR A 23 4.380 -8.799 -9.920 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.169 -6.647 -11.690 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.441 -6.250 -10.004 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.770 -6.276 -9.081 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.998 -6.801 -13.239 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.190 -5.744 -9.605 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.421 -6.264 -13.749 1.00 0.00 H new ATOM 0 HH TYR A 23 9.738 -5.815 -11.163 1.00 0.00 H new ATOM 329 N ARG A 24 2.626 -8.441 -8.203 1.00 0.00 N ATOM 330 CA ARG A 24 1.584 -8.506 -7.193 1.00 0.00 C ATOM 331 C ARG A 24 1.392 -7.138 -6.538 1.00 0.00 C ATOM 332 O ARG A 24 2.361 -6.495 -6.137 1.00 0.00 O ATOM 333 CB ARG A 24 1.925 -9.537 -6.114 1.00 0.00 C ATOM 334 CG ARG A 24 0.731 -10.446 -5.826 1.00 0.00 C ATOM 335 CD ARG A 24 1.189 -11.871 -5.510 1.00 0.00 C ATOM 336 NE ARG A 24 2.056 -11.869 -4.310 1.00 0.00 N ATOM 337 CZ ARG A 24 3.404 -11.880 -4.351 1.00 0.00 C ATOM 338 NH1 ARG A 24 4.055 -11.893 -5.534 1.00 0.00 N ATOM 339 NH2 ARG A 24 4.080 -11.877 -3.216 1.00 0.00 N ATOM 0 H ARG A 24 3.576 -8.412 -7.834 1.00 0.00 H new ATOM 0 HA ARG A 24 0.661 -8.807 -7.689 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.775 -10.139 -6.437 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.226 -9.025 -5.200 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.162 -10.049 -4.986 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.063 -10.458 -6.687 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.323 -12.511 -5.342 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.731 -12.285 -6.360 1.00 0.00 H new ATOM 0 HE ARG A 24 1.606 -11.859 -3.395 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.527 -11.895 -6.407 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.075 -11.901 -5.555 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.582 -11.867 -2.326 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.100 -11.885 -3.230 1.00 0.00 H new ATOM 352 N ASP A 25 0.133 -6.729 -6.452 1.00 0.00 N ATOM 353 CA ASP A 25 -0.198 -5.448 -5.854 1.00 0.00 C ATOM 354 C ASP A 25 -0.206 -5.587 -4.331 1.00 0.00 C ATOM 355 O ASP A 25 0.023 -6.674 -3.802 1.00 0.00 O ATOM 356 CB ASP A 25 -1.586 -4.977 -6.293 1.00 0.00 C ATOM 357 CG ASP A 25 -1.844 -3.478 -6.125 1.00 0.00 C ATOM 358 OD1 ASP A 25 -2.860 -2.948 -6.599 1.00 0.00 O ATOM 359 OD2 ASP A 25 -0.937 -2.839 -5.468 1.00 0.00 O ATOM 0 H ASP A 25 -0.669 -7.263 -6.787 1.00 0.00 H new ATOM 0 HA ASP A 25 0.548 -4.723 -6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.727 -5.239 -7.341 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.336 -5.525 -5.723 1.00 0.00 H new ATOM 365 N GLU A 26 -0.473 -4.472 -3.667 1.00 0.00 N ATOM 366 CA GLU A 26 -0.515 -4.456 -2.215 1.00 0.00 C ATOM 367 C GLU A 26 -1.939 -4.721 -1.722 1.00 0.00 C ATOM 368 O GLU A 26 -2.271 -4.414 -0.579 1.00 0.00 O ATOM 369 CB GLU A 26 0.017 -3.131 -1.666 1.00 0.00 C ATOM 370 CG GLU A 26 -1.051 -2.038 -1.738 1.00 0.00 C ATOM 371 CD GLU A 26 -0.496 -0.697 -1.255 1.00 0.00 C ATOM 372 OE1 GLU A 26 0.535 -0.663 -0.568 1.00 0.00 O ATOM 373 OE2 GLU A 26 -1.177 0.338 -1.618 1.00 0.00 O ATOM 0 H GLU A 26 -0.663 -3.572 -4.109 1.00 0.00 H new ATOM 0 HA GLU A 26 0.131 -5.251 -1.844 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.337 -3.264 -0.633 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.895 -2.824 -2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.408 -1.940 -2.763 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.909 -2.322 -1.128 1.00 0.00 H new ATOM 381 N TYR A 27 -2.742 -5.288 -2.610 1.00 0.00 N ATOM 382 CA TYR A 27 -4.123 -5.599 -2.280 1.00 0.00 C ATOM 383 C TYR A 27 -4.590 -6.861 -3.008 1.00 0.00 C ATOM 384 O TYR A 27 -5.734 -6.936 -3.455 1.00 0.00 O ATOM 385 CB TYR A 27 -4.951 -4.408 -2.766 1.00 0.00 C ATOM 386 CG TYR A 27 -5.073 -3.276 -1.745 1.00 0.00 C ATOM 387 CD1 TYR A 27 -6.022 -3.348 -0.744 1.00 0.00 C ATOM 388 CD2 TYR A 27 -4.235 -2.183 -1.823 1.00 0.00 C ATOM 389 CE1 TYR A 27 -6.136 -2.283 0.218 1.00 0.00 C ATOM 390 CE2 TYR A 27 -4.349 -1.117 -0.861 1.00 0.00 C ATOM 391 CZ TYR A 27 -5.294 -1.220 0.112 1.00 0.00 C ATOM 392 OH TYR A 27 -5.403 -0.214 1.020 1.00 0.00 O ATOM 0 H TYR A 27 -2.463 -5.540 -3.558 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.232 -5.775 -1.210 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.501 -4.014 -3.678 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.950 -4.756 -3.028 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.679 -4.203 -0.683 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.493 -2.127 -2.606 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.873 -2.327 1.006 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.699 -0.256 -0.911 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.738 0.478 0.823 1.00 0.00 H new ATOM 402 N GLN A 28 -3.682 -7.821 -3.103 1.00 0.00 N ATOM 403 CA GLN A 28 -3.988 -9.076 -3.768 1.00 0.00 C ATOM 404 C GLN A 28 -4.426 -8.819 -5.212 1.00 0.00 C ATOM 405 O GLN A 28 -5.397 -9.408 -5.683 1.00 0.00 O ATOM 406 CB GLN A 28 -5.057 -9.858 -3.002 1.00 0.00 C ATOM 407 CG GLN A 28 -4.442 -10.617 -1.824 1.00 0.00 C ATOM 408 CD GLN A 28 -4.003 -12.020 -2.246 1.00 0.00 C ATOM 409 OE1 GLN A 28 -4.396 -12.539 -3.278 1.00 0.00 O ATOM 410 NE2 GLN A 28 -3.168 -12.605 -1.391 1.00 0.00 N ATOM 0 H GLN A 28 -2.735 -7.755 -2.731 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.084 -9.684 -3.786 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.823 -9.173 -2.638 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.551 -10.560 -3.674 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.585 -10.065 -1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.167 -10.687 -1.013 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.878 -12.115 -0.545 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.818 -13.544 -1.582 1.00 0.00 H new ATOM 419 N ARG A 29 -3.688 -7.939 -5.873 1.00 0.00 N ATOM 420 CA ARG A 29 -3.989 -7.597 -7.252 1.00 0.00 C ATOM 421 C ARG A 29 -2.797 -7.928 -8.153 1.00 0.00 C ATOM 422 O ARG A 29 -1.737 -7.313 -8.037 1.00 0.00 O ATOM 423 CB ARG A 29 -4.326 -6.110 -7.390 1.00 0.00 C ATOM 424 CG ARG A 29 -5.687 -5.917 -8.061 1.00 0.00 C ATOM 425 CD ARG A 29 -5.962 -4.435 -8.326 1.00 0.00 C ATOM 426 NE ARG A 29 -6.994 -3.937 -7.389 1.00 0.00 N ATOM 427 CZ ARG A 29 -7.235 -2.630 -7.153 1.00 0.00 C ATOM 428 NH1 ARG A 29 -6.517 -1.677 -7.785 1.00 0.00 N ATOM 429 NH2 ARG A 29 -8.182 -2.298 -6.295 1.00 0.00 N ATOM 0 H ARG A 29 -2.883 -7.453 -5.479 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.855 -8.184 -7.558 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.332 -5.642 -6.406 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.554 -5.611 -7.975 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.715 -6.469 -9.000 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.471 -6.328 -7.426 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.044 -3.859 -8.208 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.295 -4.297 -9.354 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.559 -4.625 -6.890 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.787 -1.943 -8.446 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.705 -0.691 -7.602 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.719 -3.025 -5.822 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.377 -1.315 -6.105 1.00 0.00 H new ATOM 442 N THR A 30 -3.010 -8.898 -9.030 1.00 0.00 N ATOM 443 CA THR A 30 -1.967 -9.317 -9.950 1.00 0.00 C ATOM 444 C THR A 30 -1.842 -8.321 -11.105 1.00 0.00 C ATOM 445 O THR A 30 -2.842 -7.780 -11.574 1.00 0.00 O ATOM 446 CB THR A 30 -2.286 -10.742 -10.409 1.00 0.00 C ATOM 447 OG1 THR A 30 -3.698 -10.737 -10.598 1.00 0.00 O ATOM 448 CG2 THR A 30 -2.061 -11.776 -9.304 1.00 0.00 C ATOM 0 H THR A 30 -3.890 -9.406 -9.123 1.00 0.00 H new ATOM 0 HA THR A 30 -0.992 -9.327 -9.464 1.00 0.00 H new ATOM 0 HB THR A 30 -1.669 -10.993 -11.272 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.925 -10.157 -11.355 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.302 -12.770 -9.681 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.018 -11.750 -8.989 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.703 -11.545 -8.454 1.00 0.00 H new ATOM 456 N TRP A 31 -0.605 -8.109 -11.530 1.00 0.00 N ATOM 457 CA TRP A 31 -0.336 -7.187 -12.620 1.00 0.00 C ATOM 458 C TRP A 31 0.486 -7.931 -13.676 1.00 0.00 C ATOM 459 O TRP A 31 1.141 -8.926 -13.369 1.00 0.00 O ATOM 460 CB TRP A 31 0.352 -5.920 -12.110 1.00 0.00 C ATOM 461 CG TRP A 31 -0.565 -4.992 -11.309 1.00 0.00 C ATOM 462 CD1 TRP A 31 -0.992 -5.142 -10.049 1.00 0.00 C ATOM 463 CD2 TRP A 31 -1.154 -3.758 -11.771 1.00 0.00 C ATOM 464 NE1 TRP A 31 -1.811 -4.099 -9.664 1.00 0.00 N ATOM 465 CE2 TRP A 31 -1.912 -3.231 -10.746 1.00 0.00 C ATOM 466 CE3 TRP A 31 -1.050 -3.109 -13.014 1.00 0.00 C ATOM 467 CZ2 TRP A 31 -2.624 -2.030 -10.857 1.00 0.00 C ATOM 468 CZ3 TRP A 31 -1.767 -1.911 -13.109 1.00 0.00 C ATOM 469 CH2 TRP A 31 -2.535 -1.367 -12.087 1.00 0.00 C ATOM 0 H TRP A 31 0.222 -8.560 -11.139 1.00 0.00 H new ATOM 0 HA TRP A 31 -1.266 -6.848 -13.077 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.198 -6.205 -11.485 1.00 0.00 H new ATOM 0 HB3 TRP A 31 0.755 -5.370 -12.961 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -0.729 -5.974 -9.413 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.259 -3.986 -8.755 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.463 -3.504 -13.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -3.209 -1.637 -10.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.720 -1.371 -14.043 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.061 -0.436 -12.241 1.00 0.00 H new ATOM 480 N VAL A 32 0.424 -7.418 -14.896 1.00 0.00 N ATOM 481 CA VAL A 32 1.155 -8.022 -15.997 1.00 0.00 C ATOM 482 C VAL A 32 2.050 -6.966 -16.649 1.00 0.00 C ATOM 483 O VAL A 32 1.586 -6.174 -17.469 1.00 0.00 O ATOM 484 CB VAL A 32 0.177 -8.667 -16.983 1.00 0.00 C ATOM 485 CG1 VAL A 32 0.721 -8.611 -18.411 1.00 0.00 C ATOM 486 CG2 VAL A 32 -0.144 -10.106 -16.574 1.00 0.00 C ATOM 0 H VAL A 32 -0.120 -6.592 -15.146 1.00 0.00 H new ATOM 0 HA VAL A 32 1.803 -8.819 -15.633 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.751 -8.096 -16.956 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.007 -9.076 -19.091 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.875 -7.572 -18.701 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.670 -9.146 -18.460 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.841 -10.541 -17.291 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.774 -10.693 -16.558 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.595 -10.110 -15.582 1.00 0.00 H new ATOM 496 N ALA A 33 3.317 -6.988 -16.260 1.00 0.00 N ATOM 497 CA ALA A 33 4.281 -6.043 -16.796 1.00 0.00 C ATOM 498 C ALA A 33 4.828 -6.575 -18.121 1.00 0.00 C ATOM 499 O ALA A 33 5.553 -7.568 -18.144 1.00 0.00 O ATOM 500 CB ALA A 33 5.385 -5.799 -15.765 1.00 0.00 C ATOM 0 H ALA A 33 3.698 -7.646 -15.580 1.00 0.00 H new ATOM 0 HA ALA A 33 3.806 -5.083 -16.998 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.108 -5.090 -16.167 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.948 -5.393 -14.853 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.887 -6.740 -15.539 1.00 0.00 H new ATOM 506 N VAL A 34 4.461 -5.890 -19.195 1.00 0.00 N ATOM 507 CA VAL A 34 4.906 -6.281 -20.521 1.00 0.00 C ATOM 508 C VAL A 34 6.074 -5.389 -20.947 1.00 0.00 C ATOM 509 O VAL A 34 5.867 -4.270 -21.411 1.00 0.00 O ATOM 510 CB VAL A 34 3.732 -6.237 -21.501 1.00 0.00 C ATOM 511 CG1 VAL A 34 4.210 -6.444 -22.940 1.00 0.00 C ATOM 512 CG2 VAL A 34 2.664 -7.267 -21.125 1.00 0.00 C ATOM 0 H VAL A 34 3.860 -5.066 -19.173 1.00 0.00 H new ATOM 0 HA VAL A 34 5.268 -7.309 -20.514 1.00 0.00 H new ATOM 0 HB VAL A 34 3.280 -5.247 -21.437 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.356 -6.408 -23.616 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.916 -5.657 -23.206 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.699 -7.414 -23.025 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.841 -7.214 -21.838 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.099 -8.266 -21.146 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.291 -7.055 -20.123 1.00 0.00 H new ATOM 522 N VAL A 35 7.276 -5.920 -20.774 1.00 0.00 N ATOM 523 CA VAL A 35 8.476 -5.186 -21.135 1.00 0.00 C ATOM 524 C VAL A 35 8.530 -5.023 -22.656 1.00 0.00 C ATOM 525 O VAL A 35 8.482 -6.007 -23.391 1.00 0.00 O ATOM 526 CB VAL A 35 9.711 -5.888 -20.566 1.00 0.00 C ATOM 527 CG1 VAL A 35 9.790 -7.337 -21.053 1.00 0.00 C ATOM 528 CG2 VAL A 35 10.988 -5.122 -20.914 1.00 0.00 C ATOM 0 H VAL A 35 7.444 -6.849 -20.389 1.00 0.00 H new ATOM 0 HA VAL A 35 8.457 -4.187 -20.700 1.00 0.00 H new ATOM 0 HB VAL A 35 9.617 -5.903 -19.480 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.676 -7.814 -20.635 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.900 -7.878 -20.731 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.849 -7.352 -22.141 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.850 -5.643 -20.497 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.091 -5.059 -21.997 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.935 -4.117 -20.496 1.00 0.00 H new ATOM 538 N GLU A 36 8.630 -3.772 -23.081 1.00 0.00 N ATOM 539 CA GLU A 36 8.691 -3.467 -24.500 1.00 0.00 C ATOM 540 C GLU A 36 9.300 -2.080 -24.720 1.00 0.00 C ATOM 541 O GLU A 36 8.614 -1.069 -24.586 1.00 0.00 O ATOM 542 CB GLU A 36 7.306 -3.565 -25.143 1.00 0.00 C ATOM 543 CG GLU A 36 7.323 -4.514 -26.343 1.00 0.00 C ATOM 544 CD GLU A 36 5.903 -4.816 -26.825 1.00 0.00 C ATOM 545 OE1 GLU A 36 5.041 -3.925 -26.809 1.00 0.00 O ATOM 546 OE2 GLU A 36 5.710 -6.027 -27.226 1.00 0.00 O ATOM 0 H GLU A 36 8.670 -2.958 -22.468 1.00 0.00 H new ATOM 0 HA GLU A 36 9.332 -4.205 -24.982 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.584 -3.917 -24.407 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.979 -2.576 -25.462 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.899 -4.069 -27.154 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.823 -5.443 -26.069 1.00 0.00 H new ATOM 554 N GLU A 37 10.582 -2.079 -25.054 1.00 0.00 N ATOM 555 CA GLU A 37 11.292 -0.833 -25.291 1.00 0.00 C ATOM 556 C GLU A 37 10.506 0.048 -26.264 1.00 0.00 C ATOM 557 O GLU A 37 9.698 -0.451 -27.046 1.00 0.00 O ATOM 558 CB GLU A 37 12.706 -1.099 -25.812 1.00 0.00 C ATOM 559 CG GLU A 37 12.667 -1.829 -27.156 1.00 0.00 C ATOM 560 CD GLU A 37 13.101 -3.288 -27.000 1.00 0.00 C ATOM 561 OE1 GLU A 37 14.197 -3.660 -27.443 1.00 0.00 O ATOM 562 OE2 GLU A 37 12.254 -4.047 -26.391 1.00 0.00 O ATOM 0 H GLU A 37 11.147 -2.920 -25.166 1.00 0.00 H new ATOM 0 HA GLU A 37 11.383 -0.303 -24.343 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.240 -0.155 -25.922 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.259 -1.695 -25.086 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.658 -1.788 -27.567 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.322 -1.325 -27.867 1.00 0.00 H new ATOM 570 N GLU A 38 10.770 1.344 -26.185 1.00 0.00 N ATOM 571 CA GLU A 38 10.098 2.299 -27.049 1.00 0.00 C ATOM 572 C GLU A 38 11.083 2.879 -28.066 1.00 0.00 C ATOM 573 O GLU A 38 11.326 4.085 -28.082 1.00 0.00 O ATOM 574 CB GLU A 38 9.438 3.410 -26.230 1.00 0.00 C ATOM 575 CG GLU A 38 8.376 2.840 -25.287 1.00 0.00 C ATOM 576 CD GLU A 38 6.993 3.406 -25.613 1.00 0.00 C ATOM 577 OE1 GLU A 38 6.540 4.352 -24.953 1.00 0.00 O ATOM 578 OE2 GLU A 38 6.384 2.827 -26.591 1.00 0.00 O ATOM 0 H GLU A 38 11.441 1.755 -25.535 1.00 0.00 H new ATOM 0 HA GLU A 38 9.310 1.777 -27.592 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.196 3.940 -25.652 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.981 4.138 -26.900 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.357 1.753 -25.370 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.636 3.077 -24.255 1.00 0.00 H new ATOM 586 N THR A 39 11.624 1.993 -28.890 1.00 0.00 N ATOM 587 CA THR A 39 12.576 2.402 -29.908 1.00 0.00 C ATOM 588 C THR A 39 13.927 2.737 -29.271 1.00 0.00 C ATOM 589 O THR A 39 14.905 2.982 -29.975 1.00 0.00 O ATOM 590 CB THR A 39 11.965 3.569 -30.686 1.00 0.00 C ATOM 591 OG1 THR A 39 10.673 3.099 -31.059 1.00 0.00 O ATOM 592 CG2 THR A 39 12.671 3.817 -32.020 1.00 0.00 C ATOM 0 H THR A 39 11.421 0.994 -28.873 1.00 0.00 H new ATOM 0 HA THR A 39 12.775 1.593 -30.611 1.00 0.00 H new ATOM 0 HB THR A 39 12.010 4.473 -30.078 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.206 3.795 -31.567 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.198 4.655 -32.532 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.721 4.048 -31.839 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.598 2.925 -32.642 1.00 0.00 H new ATOM 600 N SER A 40 13.936 2.737 -27.946 1.00 0.00 N ATOM 601 CA SER A 40 15.150 3.040 -27.206 1.00 0.00 C ATOM 602 C SER A 40 14.805 3.419 -25.766 1.00 0.00 C ATOM 603 O SER A 40 15.214 4.473 -25.282 1.00 0.00 O ATOM 604 CB SER A 40 15.938 4.167 -27.878 1.00 0.00 C ATOM 605 OG SER A 40 17.145 3.695 -28.470 1.00 0.00 O ATOM 0 H SER A 40 13.123 2.532 -27.366 1.00 0.00 H new ATOM 0 HA SER A 40 15.777 2.149 -27.199 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.319 4.637 -28.642 1.00 0.00 H new ATOM 0 HB3 SER A 40 16.172 4.935 -27.141 1.00 0.00 H new ATOM 0 HG SER A 40 16.934 3.182 -29.278 1.00 0.00 H new ATOM 611 N PHE A 41 14.054 2.538 -25.120 1.00 0.00 N ATOM 612 CA PHE A 41 13.648 2.768 -23.744 1.00 0.00 C ATOM 613 C PHE A 41 13.251 1.456 -23.063 1.00 0.00 C ATOM 614 O PHE A 41 13.333 0.389 -23.669 1.00 0.00 O ATOM 615 CB PHE A 41 12.432 3.696 -23.785 1.00 0.00 C ATOM 616 CG PHE A 41 12.784 5.185 -23.746 1.00 0.00 C ATOM 617 CD1 PHE A 41 13.666 5.651 -22.820 1.00 0.00 C ATOM 618 CD2 PHE A 41 12.215 6.042 -24.635 1.00 0.00 C ATOM 619 CE1 PHE A 41 13.991 7.031 -22.784 1.00 0.00 C ATOM 620 CE2 PHE A 41 12.542 7.423 -24.599 1.00 0.00 C ATOM 621 CZ PHE A 41 13.423 7.889 -23.674 1.00 0.00 C ATOM 0 H PHE A 41 13.717 1.664 -25.524 1.00 0.00 H new ATOM 0 HA PHE A 41 14.473 3.204 -23.181 1.00 0.00 H new ATOM 0 HB2 PHE A 41 11.862 3.491 -24.691 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.782 3.464 -22.941 1.00 0.00 H new ATOM 0 HD1 PHE A 41 14.118 4.971 -22.113 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.514 5.672 -25.369 1.00 0.00 H new ATOM 0 HE1 PHE A 41 14.690 7.401 -22.049 1.00 0.00 H new ATOM 0 HE2 PHE A 41 12.091 8.103 -25.306 1.00 0.00 H new ATOM 0 HZ PHE A 41 13.672 8.940 -23.646 1.00 0.00 H new ATOM 631 N LEU A 42 12.828 1.579 -21.813 1.00 0.00 N ATOM 632 CA LEU A 42 12.416 0.417 -21.045 1.00 0.00 C ATOM 633 C LEU A 42 10.995 0.634 -20.522 1.00 0.00 C ATOM 634 O LEU A 42 10.807 1.069 -19.386 1.00 0.00 O ATOM 635 CB LEU A 42 13.436 0.113 -19.946 1.00 0.00 C ATOM 636 CG LEU A 42 14.694 -0.639 -20.386 1.00 0.00 C ATOM 637 CD1 LEU A 42 14.366 -2.087 -20.755 1.00 0.00 C ATOM 638 CD2 LEU A 42 15.400 0.096 -21.527 1.00 0.00 C ATOM 0 H LEU A 42 12.762 2.466 -21.313 1.00 0.00 H new ATOM 0 HA LEU A 42 12.390 -0.469 -21.679 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.741 1.055 -19.490 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.941 -0.471 -19.170 1.00 0.00 H new ATOM 0 HG LEU A 42 15.386 -0.670 -19.544 1.00 0.00 H new ATOM 0 HD11 LEU A 42 15.277 -2.599 -21.064 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.940 -2.595 -19.890 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.647 -2.100 -21.574 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.291 -0.459 -21.821 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.726 0.178 -22.379 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.687 1.093 -21.195 1.00 0.00 H new ATOM 650 N ARG A 43 10.031 0.322 -21.375 1.00 0.00 N ATOM 651 CA ARG A 43 8.632 0.478 -21.013 1.00 0.00 C ATOM 652 C ARG A 43 8.052 -0.860 -20.551 1.00 0.00 C ATOM 653 O ARG A 43 7.980 -1.811 -21.327 1.00 0.00 O ATOM 654 CB ARG A 43 7.812 1.002 -22.194 1.00 0.00 C ATOM 655 CG ARG A 43 6.317 0.996 -21.869 1.00 0.00 C ATOM 656 CD ARG A 43 5.605 2.170 -22.543 1.00 0.00 C ATOM 657 NE ARG A 43 5.082 1.754 -23.864 1.00 0.00 N ATOM 658 CZ ARG A 43 4.247 2.500 -24.617 1.00 0.00 C ATOM 659 NH1 ARG A 43 3.831 3.710 -24.185 1.00 0.00 N ATOM 660 NH2 ARG A 43 3.841 2.029 -25.781 1.00 0.00 N ATOM 0 H ARG A 43 10.191 -0.038 -22.316 1.00 0.00 H new ATOM 0 HA ARG A 43 8.578 1.202 -20.200 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.130 2.015 -22.441 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.999 0.386 -23.073 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.873 0.058 -22.201 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.176 1.051 -20.790 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.787 2.520 -21.913 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.296 3.005 -22.663 1.00 0.00 H new ATOM 0 HE ARG A 43 5.371 0.846 -24.228 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.148 4.066 -23.283 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.200 4.268 -24.760 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.158 1.113 -26.099 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.210 2.580 -26.362 1.00 0.00 H new ATOM 673 N ALA A 44 7.651 -0.890 -19.288 1.00 0.00 N ATOM 674 CA ALA A 44 7.078 -2.096 -18.714 1.00 0.00 C ATOM 675 C ALA A 44 5.581 -1.883 -18.484 1.00 0.00 C ATOM 676 O ALA A 44 5.167 -1.479 -17.398 1.00 0.00 O ATOM 677 CB ALA A 44 7.821 -2.451 -17.425 1.00 0.00 C ATOM 0 H ALA A 44 7.712 -0.099 -18.647 1.00 0.00 H new ATOM 0 HA ALA A 44 7.191 -2.938 -19.397 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.391 -3.355 -16.995 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.875 -2.620 -17.647 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.727 -1.631 -16.713 1.00 0.00 H new ATOM 683 N ARG A 45 4.809 -2.165 -19.523 1.00 0.00 N ATOM 684 CA ARG A 45 3.365 -2.011 -19.448 1.00 0.00 C ATOM 685 C ARG A 45 2.782 -2.973 -18.411 1.00 0.00 C ATOM 686 O ARG A 45 2.712 -4.178 -18.647 1.00 0.00 O ATOM 687 CB ARG A 45 2.711 -2.277 -20.805 1.00 0.00 C ATOM 688 CG ARG A 45 1.227 -1.909 -20.779 1.00 0.00 C ATOM 689 CD ARG A 45 0.360 -3.094 -21.212 1.00 0.00 C ATOM 690 NE ARG A 45 0.988 -3.787 -22.359 1.00 0.00 N ATOM 691 CZ ARG A 45 0.628 -5.014 -22.791 1.00 0.00 C ATOM 692 NH1 ARG A 45 -0.359 -5.696 -22.173 1.00 0.00 N ATOM 693 NH2 ARG A 45 1.258 -5.539 -23.826 1.00 0.00 N ATOM 0 H ARG A 45 5.156 -2.499 -20.422 1.00 0.00 H new ATOM 0 HA ARG A 45 3.156 -0.983 -19.153 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.219 -1.699 -21.577 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.824 -3.329 -21.067 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.944 -1.595 -19.774 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.047 -1.061 -21.440 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.236 -3.788 -20.381 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.635 -2.746 -21.487 1.00 0.00 H new ATOM 0 HE ARG A 45 1.740 -3.307 -22.854 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.839 -5.285 -21.373 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.625 -6.623 -22.506 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.004 -5.018 -24.286 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.998 -6.465 -24.165 1.00 0.00 H new ATOM 706 N VAL A 46 2.377 -2.405 -17.285 1.00 0.00 N ATOM 707 CA VAL A 46 1.802 -3.197 -16.211 1.00 0.00 C ATOM 708 C VAL A 46 0.280 -3.219 -16.358 1.00 0.00 C ATOM 709 O VAL A 46 -0.382 -2.201 -16.154 1.00 0.00 O ATOM 710 CB VAL A 46 2.265 -2.657 -14.857 1.00 0.00 C ATOM 711 CG1 VAL A 46 2.326 -3.774 -13.812 1.00 0.00 C ATOM 712 CG2 VAL A 46 3.615 -1.948 -14.982 1.00 0.00 C ATOM 0 H VAL A 46 2.436 -1.405 -17.093 1.00 0.00 H new ATOM 0 HA VAL A 46 2.149 -4.229 -16.269 1.00 0.00 H new ATOM 0 HB VAL A 46 1.532 -1.924 -14.520 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.658 -3.363 -12.859 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.336 -4.215 -13.692 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.027 -4.541 -14.140 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.921 -1.574 -14.005 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.362 -2.650 -15.352 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.525 -1.114 -15.678 1.00 0.00 H new ATOM 722 N GLN A 47 -0.232 -4.388 -16.709 1.00 0.00 N ATOM 723 CA GLN A 47 -1.666 -4.556 -16.886 1.00 0.00 C ATOM 724 C GLN A 47 -2.246 -5.397 -15.749 1.00 0.00 C ATOM 725 O GLN A 47 -1.765 -6.496 -15.475 1.00 0.00 O ATOM 726 CB GLN A 47 -1.980 -5.180 -18.247 1.00 0.00 C ATOM 727 CG GLN A 47 -3.403 -5.742 -18.275 1.00 0.00 C ATOM 728 CD GLN A 47 -4.114 -5.366 -19.578 1.00 0.00 C ATOM 729 OE1 GLN A 47 -4.601 -6.208 -20.314 1.00 0.00 O ATOM 730 NE2 GLN A 47 -4.147 -4.058 -19.817 1.00 0.00 N ATOM 0 H GLN A 47 0.320 -5.230 -16.876 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.134 -3.572 -16.858 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.865 -4.431 -19.030 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.266 -5.976 -18.460 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.372 -6.827 -18.173 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.967 -5.358 -17.425 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.719 -3.408 -19.158 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.600 -3.705 -20.660 1.00 0.00 H new ATOM 739 N GLN A 48 -3.274 -4.850 -15.116 1.00 0.00 N ATOM 740 CA GLN A 48 -3.925 -5.536 -14.013 1.00 0.00 C ATOM 741 C GLN A 48 -4.990 -6.500 -14.542 1.00 0.00 C ATOM 742 O GLN A 48 -5.932 -6.082 -15.214 1.00 0.00 O ATOM 743 CB GLN A 48 -4.533 -4.537 -13.027 1.00 0.00 C ATOM 744 CG GLN A 48 -5.194 -5.259 -11.851 1.00 0.00 C ATOM 745 CD GLN A 48 -6.710 -5.345 -12.044 1.00 0.00 C ATOM 746 OE1 GLN A 48 -7.453 -4.425 -11.742 1.00 0.00 O ATOM 747 NE2 GLN A 48 -7.125 -6.496 -12.562 1.00 0.00 N ATOM 0 H GLN A 48 -3.672 -3.939 -15.346 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.173 -6.114 -13.476 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.756 -3.868 -12.657 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.270 -3.918 -13.539 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.778 -6.262 -11.755 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.971 -4.731 -10.924 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.449 -7.225 -12.792 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.119 -6.651 -12.730 1.00 0.00 H new ATOM 756 N ILE A 49 -4.805 -7.772 -14.219 1.00 0.00 N ATOM 757 CA ILE A 49 -5.737 -8.797 -14.654 1.00 0.00 C ATOM 758 C ILE A 49 -5.683 -9.976 -13.679 1.00 0.00 C ATOM 759 O ILE A 49 -4.744 -10.093 -12.893 1.00 0.00 O ATOM 760 CB ILE A 49 -5.464 -9.188 -16.107 1.00 0.00 C ATOM 761 CG1 ILE A 49 -4.182 -10.016 -16.220 1.00 0.00 C ATOM 762 CG2 ILE A 49 -5.432 -7.954 -17.009 1.00 0.00 C ATOM 763 CD1 ILE A 49 -2.943 -9.121 -16.134 1.00 0.00 C ATOM 0 H ILE A 49 -4.023 -8.115 -13.661 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.758 -8.415 -14.638 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.284 -9.817 -16.452 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.154 -10.760 -15.424 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.178 -10.560 -17.165 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.236 -8.260 -18.037 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.393 -7.442 -16.959 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.644 -7.279 -16.675 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.045 -9.734 -16.217 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.962 -8.394 -16.946 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.938 -8.597 -15.178 1.00 0.00 H new ATOM 775 N GLN A 50 -6.701 -10.819 -13.762 1.00 0.00 N ATOM 776 CA GLN A 50 -6.782 -11.985 -12.898 1.00 0.00 C ATOM 777 C GLN A 50 -6.044 -13.167 -13.530 1.00 0.00 C ATOM 778 O GLN A 50 -6.456 -13.674 -14.573 1.00 0.00 O ATOM 779 CB GLN A 50 -8.237 -12.344 -12.596 1.00 0.00 C ATOM 780 CG GLN A 50 -9.097 -12.251 -13.857 1.00 0.00 C ATOM 781 CD GLN A 50 -9.729 -10.864 -13.991 1.00 0.00 C ATOM 782 OE1 GLN A 50 -10.481 -10.413 -13.143 1.00 0.00 O ATOM 783 NE2 GLN A 50 -9.381 -10.216 -15.099 1.00 0.00 N ATOM 0 H GLN A 50 -7.478 -10.718 -14.415 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.298 -11.745 -11.951 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.289 -13.354 -12.189 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.630 -11.672 -11.833 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.486 -12.462 -14.734 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.880 -13.009 -13.824 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.746 -10.653 -15.767 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.749 -9.282 -15.280 1.00 0.00 H new ATOM 792 N VAL A 51 -4.966 -13.570 -12.873 1.00 0.00 N ATOM 793 CA VAL A 51 -4.168 -14.683 -13.358 1.00 0.00 C ATOM 794 C VAL A 51 -3.428 -15.325 -12.183 1.00 0.00 C ATOM 795 O VAL A 51 -2.847 -14.626 -11.354 1.00 0.00 O ATOM 796 CB VAL A 51 -3.229 -14.210 -14.469 1.00 0.00 C ATOM 797 CG1 VAL A 51 -2.338 -13.065 -13.982 1.00 0.00 C ATOM 798 CG2 VAL A 51 -2.388 -15.368 -15.007 1.00 0.00 C ATOM 0 H VAL A 51 -4.627 -13.146 -12.010 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.808 -15.448 -13.796 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.842 -13.834 -15.288 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.680 -12.747 -14.791 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.961 -12.227 -13.670 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.738 -13.405 -13.138 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.729 -15.004 -15.796 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.789 -15.789 -14.199 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.045 -16.138 -15.410 1.00 0.00 H new ATOM 808 N PRO A 52 -3.474 -16.683 -12.147 1.00 0.00 N ATOM 809 CA PRO A 52 -2.815 -17.427 -11.086 1.00 0.00 C ATOM 810 C PRO A 52 -1.299 -17.449 -11.294 1.00 0.00 C ATOM 811 O PRO A 52 -0.809 -18.040 -12.255 1.00 0.00 O ATOM 812 CB PRO A 52 -3.440 -18.811 -11.129 1.00 0.00 C ATOM 813 CG PRO A 52 -4.087 -18.935 -12.499 1.00 0.00 C ATOM 814 CD PRO A 52 -4.153 -17.545 -13.110 1.00 0.00 C ATOM 0 HA PRO A 52 -2.953 -16.973 -10.105 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.686 -19.584 -10.982 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.178 -18.931 -10.336 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.508 -19.605 -13.135 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.086 -19.362 -12.412 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.661 -17.516 -14.082 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.185 -17.229 -13.265 1.00 0.00 H new ATOM 822 N LEU A 53 -0.598 -16.799 -10.376 1.00 0.00 N ATOM 823 CA LEU A 53 0.851 -16.737 -10.446 1.00 0.00 C ATOM 824 C LEU A 53 1.420 -18.157 -10.414 1.00 0.00 C ATOM 825 O LEU A 53 1.401 -18.815 -9.374 1.00 0.00 O ATOM 826 CB LEU A 53 1.403 -15.830 -9.344 1.00 0.00 C ATOM 827 CG LEU A 53 0.651 -14.515 -9.119 1.00 0.00 C ATOM 828 CD1 LEU A 53 0.082 -14.446 -7.701 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.542 -13.313 -9.439 1.00 0.00 C ATOM 0 H LEU A 53 -1.008 -16.311 -9.580 1.00 0.00 H new ATOM 0 HA LEU A 53 1.167 -16.286 -11.387 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.406 -16.389 -8.408 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.441 -15.596 -9.579 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.194 -14.481 -9.807 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.447 -13.503 -7.567 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.609 -15.275 -7.545 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.896 -14.511 -6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.984 -12.392 -9.271 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.420 -13.329 -8.793 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.858 -13.361 -10.481 1.00 0.00 H new ATOM 841 N GLY A 54 1.914 -18.588 -11.566 1.00 0.00 N ATOM 842 CA GLY A 54 2.486 -19.918 -11.682 1.00 0.00 C ATOM 843 C GLY A 54 3.696 -20.077 -10.761 1.00 0.00 C ATOM 844 O GLY A 54 3.552 -20.109 -9.539 1.00 0.00 O ATOM 0 H GLY A 54 1.930 -18.040 -12.426 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.733 -20.665 -11.431 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.784 -20.101 -12.714 1.00 0.00 H new ATOM 848 N ASP A 55 4.864 -20.174 -11.381 1.00 0.00 N ATOM 849 CA ASP A 55 6.099 -20.327 -10.631 1.00 0.00 C ATOM 850 C ASP A 55 6.465 -18.992 -9.980 1.00 0.00 C ATOM 851 O ASP A 55 5.725 -18.016 -10.098 1.00 0.00 O ATOM 852 CB ASP A 55 7.253 -20.738 -11.548 1.00 0.00 C ATOM 853 CG ASP A 55 8.317 -21.620 -10.894 1.00 0.00 C ATOM 854 OD1 ASP A 55 8.421 -21.687 -9.659 1.00 0.00 O ATOM 855 OD2 ASP A 55 9.070 -22.267 -11.717 1.00 0.00 O ATOM 0 H ASP A 55 4.980 -20.150 -12.394 1.00 0.00 H new ATOM 0 HA ASP A 55 5.943 -21.100 -9.879 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.843 -21.267 -12.408 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.734 -19.837 -11.928 1.00 0.00 H new ATOM 861 N ALA A 56 7.606 -18.991 -9.307 1.00 0.00 N ATOM 862 CA ALA A 56 8.078 -17.791 -8.637 1.00 0.00 C ATOM 863 C ALA A 56 9.604 -17.726 -8.733 1.00 0.00 C ATOM 864 O ALA A 56 10.290 -17.619 -7.717 1.00 0.00 O ATOM 865 CB ALA A 56 7.585 -17.787 -7.188 1.00 0.00 C ATOM 0 H ALA A 56 8.217 -19.802 -9.211 1.00 0.00 H new ATOM 0 HA ALA A 56 7.678 -16.899 -9.120 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.939 -16.887 -6.686 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.495 -17.805 -7.174 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.969 -18.666 -6.671 1.00 0.00 H new ATOM 871 N ALA A 57 10.091 -17.795 -9.963 1.00 0.00 N ATOM 872 CA ALA A 57 11.522 -17.745 -10.205 1.00 0.00 C ATOM 873 C ALA A 57 11.933 -16.305 -10.522 1.00 0.00 C ATOM 874 O ALA A 57 11.397 -15.362 -9.943 1.00 0.00 O ATOM 875 CB ALA A 57 11.884 -18.715 -11.331 1.00 0.00 C ATOM 0 H ALA A 57 9.519 -17.885 -10.803 1.00 0.00 H new ATOM 0 HA ALA A 57 12.071 -18.056 -9.317 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.958 -18.677 -11.512 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.600 -19.728 -11.044 1.00 0.00 H new ATOM 0 HB3 ALA A 57 11.352 -18.432 -12.240 1.00 0.00 H new ATOM 881 N ARG A 58 12.880 -16.182 -11.440 1.00 0.00 N ATOM 882 CA ARG A 58 13.367 -14.873 -11.841 1.00 0.00 C ATOM 883 C ARG A 58 13.502 -14.801 -13.364 1.00 0.00 C ATOM 884 O ARG A 58 14.591 -14.563 -13.884 1.00 0.00 O ATOM 885 CB ARG A 58 14.724 -14.572 -11.202 1.00 0.00 C ATOM 886 CG ARG A 58 14.552 -14.058 -9.770 1.00 0.00 C ATOM 887 CD ARG A 58 15.727 -13.165 -9.364 1.00 0.00 C ATOM 888 NE ARG A 58 16.260 -13.595 -8.051 1.00 0.00 N ATOM 889 CZ ARG A 58 15.559 -13.545 -6.898 1.00 0.00 C ATOM 890 NH1 ARG A 58 14.290 -13.083 -6.886 1.00 0.00 N ATOM 891 NH2 ARG A 58 16.133 -13.955 -5.783 1.00 0.00 N ATOM 0 H ARG A 58 13.323 -16.967 -11.918 1.00 0.00 H new ATOM 0 HA ARG A 58 12.644 -14.131 -11.501 1.00 0.00 H new ATOM 0 HB2 ARG A 58 15.336 -15.474 -11.198 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.254 -13.829 -11.798 1.00 0.00 H new ATOM 0 HG2 ARG A 58 13.620 -13.498 -9.690 1.00 0.00 H new ATOM 0 HG3 ARG A 58 14.477 -14.901 -9.083 1.00 0.00 H new ATOM 0 HD2 ARG A 58 16.512 -13.217 -10.119 1.00 0.00 H new ATOM 0 HD3 ARG A 58 15.403 -12.126 -9.312 1.00 0.00 H new ATOM 0 HE ARG A 58 17.215 -13.951 -8.015 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.854 -12.768 -7.753 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.768 -13.049 -6.010 1.00 0.00 H new ATOM 0 HH21 ARG A 58 17.092 -14.303 -5.801 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.618 -13.924 -4.903 1.00 0.00 H new ATOM 904 N PRO A 59 12.350 -15.014 -14.053 1.00 0.00 N ATOM 905 CA PRO A 59 12.329 -14.976 -15.506 1.00 0.00 C ATOM 906 C PRO A 59 12.408 -13.536 -16.017 1.00 0.00 C ATOM 907 O PRO A 59 13.047 -13.268 -17.033 1.00 0.00 O ATOM 908 CB PRO A 59 11.037 -15.676 -15.899 1.00 0.00 C ATOM 909 CG PRO A 59 10.163 -15.668 -14.656 1.00 0.00 C ATOM 910 CD PRO A 59 11.040 -15.298 -13.471 1.00 0.00 C ATOM 0 HA PRO A 59 13.189 -15.475 -15.953 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.548 -15.158 -16.724 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.231 -16.695 -16.233 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.349 -14.952 -14.767 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.708 -16.647 -14.503 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.645 -14.431 -12.942 1.00 0.00 H new ATOM 0 HD3 PRO A 59 11.096 -16.113 -12.750 1.00 0.00 H new ATOM 918 N SER A 60 11.748 -12.647 -15.289 1.00 0.00 N ATOM 919 CA SER A 60 11.736 -11.241 -15.657 1.00 0.00 C ATOM 920 C SER A 60 12.943 -10.528 -15.042 1.00 0.00 C ATOM 921 O SER A 60 12.935 -9.308 -14.886 1.00 0.00 O ATOM 922 CB SER A 60 10.438 -10.566 -15.210 1.00 0.00 C ATOM 923 OG SER A 60 10.022 -9.552 -16.120 1.00 0.00 O ATOM 0 H SER A 60 11.218 -12.873 -14.447 1.00 0.00 H new ATOM 0 HA SER A 60 11.795 -11.172 -16.743 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.652 -11.316 -15.119 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.578 -10.130 -14.221 1.00 0.00 H new ATOM 0 HG SER A 60 9.189 -9.147 -15.800 1.00 0.00 H new ATOM 929 N HIS A 61 13.951 -11.321 -14.710 1.00 0.00 N ATOM 930 CA HIS A 61 15.163 -10.782 -14.116 1.00 0.00 C ATOM 931 C HIS A 61 16.386 -11.378 -14.814 1.00 0.00 C ATOM 932 O HIS A 61 17.310 -10.653 -15.182 1.00 0.00 O ATOM 933 CB HIS A 61 15.173 -11.010 -12.603 1.00 0.00 C ATOM 934 CG HIS A 61 14.391 -9.982 -11.821 1.00 0.00 C ATOM 935 ND1 HIS A 61 14.970 -9.172 -10.860 1.00 0.00 N ATOM 936 CD2 HIS A 61 13.071 -9.640 -11.868 1.00 0.00 C ATOM 937 CE1 HIS A 61 14.032 -8.384 -10.357 1.00 0.00 C ATOM 938 NE2 HIS A 61 12.856 -8.676 -10.983 1.00 0.00 N ATOM 0 H HIS A 61 13.954 -12.333 -14.841 1.00 0.00 H new ATOM 0 HA HIS A 61 15.196 -9.702 -14.263 1.00 0.00 H new ATOM 0 HB2 HIS A 61 14.765 -11.999 -12.392 1.00 0.00 H new ATOM 0 HB3 HIS A 61 16.205 -11.010 -12.253 1.00 0.00 H new ATOM 0 HD1 HIS A 61 15.952 -9.180 -10.586 1.00 0.00 H new ATOM 0 HD2 HIS A 61 12.327 -10.080 -12.516 1.00 0.00 H new ATOM 0 HE1 HIS A 61 14.173 -7.641 -9.586 1.00 0.00 H new ATOM 946 N LEU A 62 16.354 -12.692 -14.975 1.00 0.00 N ATOM 947 CA LEU A 62 17.450 -13.394 -15.623 1.00 0.00 C ATOM 948 C LEU A 62 17.350 -13.198 -17.136 1.00 0.00 C ATOM 949 O LEU A 62 18.333 -12.843 -17.786 1.00 0.00 O ATOM 950 CB LEU A 62 17.474 -14.862 -15.192 1.00 0.00 C ATOM 951 CG LEU A 62 18.860 -15.492 -15.036 1.00 0.00 C ATOM 952 CD1 LEU A 62 19.295 -15.501 -13.569 1.00 0.00 C ATOM 953 CD2 LEU A 62 18.900 -16.890 -15.655 1.00 0.00 C ATOM 0 H LEU A 62 15.587 -13.290 -14.668 1.00 0.00 H new ATOM 0 HA LEU A 62 18.408 -12.979 -15.310 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.948 -14.950 -14.242 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.912 -15.444 -15.923 1.00 0.00 H new ATOM 0 HG LEU A 62 19.578 -14.879 -15.581 1.00 0.00 H new ATOM 0 HD11 LEU A 62 20.283 -15.954 -13.485 1.00 0.00 H new ATOM 0 HD12 LEU A 62 19.332 -14.478 -13.194 1.00 0.00 H new ATOM 0 HD13 LEU A 62 18.581 -16.078 -12.981 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.896 -17.315 -15.530 1.00 0.00 H new ATOM 0 HD22 LEU A 62 18.169 -17.528 -15.159 1.00 0.00 H new ATOM 0 HD23 LEU A 62 18.664 -16.825 -16.717 1.00 0.00 H new ATOM 965 N LEU A 63 16.156 -13.440 -17.656 1.00 0.00 N ATOM 966 CA LEU A 63 15.916 -13.295 -19.081 1.00 0.00 C ATOM 967 C LEU A 63 15.878 -11.808 -19.440 1.00 0.00 C ATOM 968 O LEU A 63 16.696 -11.334 -20.226 1.00 0.00 O ATOM 969 CB LEU A 63 14.655 -14.059 -19.493 1.00 0.00 C ATOM 970 CG LEU A 63 14.875 -15.291 -20.372 1.00 0.00 C ATOM 971 CD1 LEU A 63 13.830 -16.368 -20.077 1.00 0.00 C ATOM 972 CD2 LEU A 63 14.901 -14.909 -21.854 1.00 0.00 C ATOM 0 H LEU A 63 15.343 -13.736 -17.115 1.00 0.00 H new ATOM 0 HA LEU A 63 16.732 -13.740 -19.651 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.131 -14.371 -18.589 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.995 -13.372 -20.023 1.00 0.00 H new ATOM 0 HG LEU A 63 15.850 -15.713 -20.131 1.00 0.00 H new ATOM 0 HD11 LEU A 63 14.009 -17.233 -20.715 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.901 -16.668 -19.031 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.834 -15.972 -20.274 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.059 -15.803 -22.457 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.951 -14.449 -22.128 1.00 0.00 H new ATOM 0 HD23 LEU A 63 15.711 -14.202 -22.033 1.00 0.00 H new ATOM 984 N THR A 64 14.920 -11.112 -18.845 1.00 0.00 N ATOM 985 CA THR A 64 14.765 -9.688 -19.090 1.00 0.00 C ATOM 986 C THR A 64 15.889 -8.905 -18.408 1.00 0.00 C ATOM 987 O THR A 64 16.710 -8.280 -19.078 1.00 0.00 O ATOM 988 CB THR A 64 13.367 -9.277 -18.624 1.00 0.00 C ATOM 989 OG1 THR A 64 12.491 -9.928 -19.540 1.00 0.00 O ATOM 990 CG2 THR A 64 13.093 -7.788 -18.839 1.00 0.00 C ATOM 0 H THR A 64 14.243 -11.508 -18.193 1.00 0.00 H new ATOM 0 HA THR A 64 14.849 -9.457 -20.152 1.00 0.00 H new ATOM 0 HB THR A 64 13.251 -9.518 -17.567 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.562 -9.717 -19.310 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.088 -7.549 -18.492 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.820 -7.200 -18.279 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.176 -7.552 -19.900 1.00 0.00 H new ATOM 998 N SER A 65 15.889 -8.964 -17.085 1.00 0.00 N ATOM 999 CA SER A 65 16.898 -8.268 -16.305 1.00 0.00 C ATOM 1000 C SER A 65 16.738 -6.755 -16.473 1.00 0.00 C ATOM 1001 O SER A 65 17.727 -6.031 -16.582 1.00 0.00 O ATOM 1002 CB SER A 65 18.308 -8.701 -16.715 1.00 0.00 C ATOM 1003 OG SER A 65 18.809 -7.925 -17.800 1.00 0.00 O ATOM 0 H SER A 65 15.206 -9.483 -16.533 1.00 0.00 H new ATOM 0 HA SER A 65 16.758 -8.528 -15.256 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.979 -8.607 -15.861 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.297 -9.754 -16.997 1.00 0.00 H new ATOM 0 HG SER A 65 18.100 -7.794 -18.464 1.00 0.00 H new ATOM 1009 N GLN A 66 15.486 -6.323 -16.488 1.00 0.00 N ATOM 1010 CA GLN A 66 15.183 -4.910 -16.640 1.00 0.00 C ATOM 1011 C GLN A 66 14.272 -4.438 -15.505 1.00 0.00 C ATOM 1012 O GLN A 66 14.640 -3.548 -14.738 1.00 0.00 O ATOM 1013 CB GLN A 66 14.551 -4.628 -18.003 1.00 0.00 C ATOM 1014 CG GLN A 66 15.568 -4.818 -19.129 1.00 0.00 C ATOM 1015 CD GLN A 66 14.871 -5.146 -20.451 1.00 0.00 C ATOM 1016 OE1 GLN A 66 13.774 -5.681 -20.487 1.00 0.00 O ATOM 1017 NE2 GLN A 66 15.563 -4.795 -21.531 1.00 0.00 N ATOM 0 H GLN A 66 14.669 -6.927 -16.397 1.00 0.00 H new ATOM 0 HA GLN A 66 16.117 -4.351 -16.587 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.702 -5.294 -18.159 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.165 -3.609 -18.025 1.00 0.00 H new ATOM 0 HG2 GLN A 66 16.163 -3.912 -19.243 1.00 0.00 H new ATOM 0 HG3 GLN A 66 16.258 -5.621 -18.869 1.00 0.00 H new ATOM 0 HE21 GLN A 66 16.476 -4.351 -21.430 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.181 -4.970 -22.461 1.00 0.00 H new ATOM 1026 N LEU A 67 13.102 -5.054 -15.433 1.00 0.00 N ATOM 1027 CA LEU A 67 12.135 -4.707 -14.404 1.00 0.00 C ATOM 1028 C LEU A 67 12.685 -5.114 -13.035 1.00 0.00 C ATOM 1029 O LEU A 67 13.323 -6.158 -12.905 1.00 0.00 O ATOM 1030 CB LEU A 67 10.769 -5.317 -14.724 1.00 0.00 C ATOM 1031 CG LEU A 67 10.076 -4.786 -15.980 1.00 0.00 C ATOM 1032 CD1 LEU A 67 10.969 -4.953 -17.212 1.00 0.00 C ATOM 1033 CD2 LEU A 67 8.708 -5.446 -16.172 1.00 0.00 C ATOM 0 H LEU A 67 12.801 -5.791 -16.070 1.00 0.00 H new ATOM 0 HA LEU A 67 11.978 -3.629 -14.377 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.890 -6.395 -14.828 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.110 -5.151 -13.872 1.00 0.00 H new ATOM 0 HG LEU A 67 9.904 -3.718 -15.849 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.452 -4.568 -18.091 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.898 -4.401 -17.066 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.194 -6.010 -17.358 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.236 -5.051 -17.072 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.835 -6.524 -16.272 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.077 -5.234 -15.309 1.00 0.00 H new ATOM 1045 N PRO A 68 12.411 -4.248 -12.024 1.00 0.00 N ATOM 1046 CA PRO A 68 12.871 -4.507 -10.671 1.00 0.00 C ATOM 1047 C PRO A 68 12.032 -5.600 -10.007 1.00 0.00 C ATOM 1048 O PRO A 68 10.990 -5.992 -10.531 1.00 0.00 O ATOM 1049 CB PRO A 68 12.773 -3.168 -9.959 1.00 0.00 C ATOM 1050 CG PRO A 68 11.830 -2.319 -10.795 1.00 0.00 C ATOM 1051 CD PRO A 68 11.660 -3.002 -12.143 1.00 0.00 C ATOM 0 HA PRO A 68 13.893 -4.886 -10.639 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.392 -3.292 -8.945 1.00 0.00 H new ATOM 0 HB3 PRO A 68 13.753 -2.697 -9.876 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.867 -2.214 -10.296 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.233 -1.315 -10.924 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.609 -3.192 -12.361 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.046 -2.383 -12.952 1.00 0.00 H new ATOM 1059 N LEU A 69 12.516 -6.062 -8.863 1.00 0.00 N ATOM 1060 CA LEU A 69 11.825 -7.104 -8.123 1.00 0.00 C ATOM 1061 C LEU A 69 10.598 -6.504 -7.433 1.00 0.00 C ATOM 1062 O LEU A 69 9.654 -7.221 -7.104 1.00 0.00 O ATOM 1063 CB LEU A 69 12.786 -7.809 -7.164 1.00 0.00 C ATOM 1064 CG LEU A 69 12.362 -9.201 -6.694 1.00 0.00 C ATOM 1065 CD1 LEU A 69 10.997 -9.155 -6.005 1.00 0.00 C ATOM 1066 CD2 LEU A 69 12.388 -10.203 -7.850 1.00 0.00 C ATOM 0 H LEU A 69 13.379 -5.733 -8.430 1.00 0.00 H new ATOM 0 HA LEU A 69 11.465 -7.878 -8.801 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.758 -7.892 -7.651 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.922 -7.177 -6.287 1.00 0.00 H new ATOM 0 HG LEU A 69 13.084 -9.546 -5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.719 -10.158 -5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.048 -8.495 -5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.249 -8.780 -6.704 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.082 -11.184 -7.488 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.703 -9.875 -8.631 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.398 -10.264 -8.256 1.00 0.00 H new ATOM 1078 N MET A 70 10.650 -5.195 -7.235 1.00 0.00 N ATOM 1079 CA MET A 70 9.556 -4.491 -6.589 1.00 0.00 C ATOM 1080 C MET A 70 9.571 -3.005 -6.950 1.00 0.00 C ATOM 1081 O MET A 70 10.637 -2.407 -7.092 1.00 0.00 O ATOM 1082 CB MET A 70 9.672 -4.649 -5.072 1.00 0.00 C ATOM 1083 CG MET A 70 8.572 -3.864 -4.353 1.00 0.00 C ATOM 1084 SD MET A 70 9.207 -3.179 -2.831 1.00 0.00 S ATOM 1085 CE MET A 70 7.678 -2.913 -1.950 1.00 0.00 C ATOM 0 H MET A 70 11.434 -4.603 -7.511 1.00 0.00 H new ATOM 0 HA MET A 70 8.617 -4.921 -6.937 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.604 -5.704 -4.806 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.650 -4.299 -4.740 1.00 0.00 H new ATOM 0 HG2 MET A 70 8.205 -3.064 -4.996 1.00 0.00 H new ATOM 0 HG3 MET A 70 7.726 -4.518 -4.142 1.00 0.00 H new ATOM 0 HE1 MET A 70 7.606 -1.867 -1.653 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.837 -3.165 -2.596 1.00 0.00 H new ATOM 0 HE3 MET A 70 7.655 -3.544 -1.062 1.00 0.00 H new ATOM 1095 N TRP A 71 8.375 -2.450 -7.088 1.00 0.00 N ATOM 1096 CA TRP A 71 8.238 -1.044 -7.430 1.00 0.00 C ATOM 1097 C TRP A 71 7.717 -0.307 -6.194 1.00 0.00 C ATOM 1098 O TRP A 71 7.078 -0.908 -5.332 1.00 0.00 O ATOM 1099 CB TRP A 71 7.341 -0.862 -8.656 1.00 0.00 C ATOM 1100 CG TRP A 71 8.097 -0.878 -9.986 1.00 0.00 C ATOM 1101 CD1 TRP A 71 9.216 -0.216 -10.307 1.00 0.00 C ATOM 1102 CD2 TRP A 71 7.739 -1.624 -11.170 1.00 0.00 C ATOM 1103 NE1 TRP A 71 9.606 -0.479 -11.605 1.00 0.00 N ATOM 1104 CE2 TRP A 71 8.678 -1.362 -12.146 1.00 0.00 C ATOM 1105 CE3 TRP A 71 6.658 -2.491 -11.406 1.00 0.00 C ATOM 1106 CZ2 TRP A 71 8.631 -1.928 -13.426 1.00 0.00 C ATOM 1107 CZ3 TRP A 71 6.626 -3.048 -12.691 1.00 0.00 C ATOM 1108 CH2 TRP A 71 7.563 -2.794 -13.684 1.00 0.00 C ATOM 0 H TRP A 71 7.493 -2.948 -6.969 1.00 0.00 H new ATOM 0 HA TRP A 71 9.202 -0.619 -7.710 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.591 -1.653 -8.666 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.806 0.083 -8.565 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.747 0.441 -9.635 1.00 0.00 H new ATOM 0 HE1 TRP A 71 10.424 -0.096 -12.079 1.00 0.00 H new ATOM 0 HE3 TRP A 71 5.912 -2.710 -10.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.379 -1.708 -14.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 5.816 -3.722 -12.926 1.00 0.00 H new ATOM 0 HH2 TRP A 71 7.468 -3.263 -14.652 1.00 0.00 H new ATOM 1119 N GLN A 72 8.009 0.985 -6.148 1.00 0.00 N ATOM 1120 CA GLN A 72 7.578 1.810 -5.032 1.00 0.00 C ATOM 1121 C GLN A 72 7.038 3.149 -5.539 1.00 0.00 C ATOM 1122 O GLN A 72 7.806 4.080 -5.779 1.00 0.00 O ATOM 1123 CB GLN A 72 8.718 2.021 -4.035 1.00 0.00 C ATOM 1124 CG GLN A 72 8.174 2.302 -2.632 1.00 0.00 C ATOM 1125 CD GLN A 72 7.827 1.000 -1.908 1.00 0.00 C ATOM 1126 OE1 GLN A 72 8.611 0.453 -1.149 1.00 0.00 O ATOM 1127 NE2 GLN A 72 6.611 0.536 -2.181 1.00 0.00 N ATOM 0 H GLN A 72 8.539 1.480 -6.865 1.00 0.00 H new ATOM 0 HA GLN A 72 6.774 1.291 -4.510 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.354 1.136 -4.012 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.342 2.854 -4.361 1.00 0.00 H new ATOM 0 HG2 GLN A 72 8.914 2.857 -2.055 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.287 2.931 -2.701 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.005 1.043 -2.826 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.285 -0.327 -1.746 1.00 0.00 H new ATOM 1136 N LEU A 73 5.723 3.202 -5.688 1.00 0.00 N ATOM 1137 CA LEU A 73 5.072 4.413 -6.162 1.00 0.00 C ATOM 1138 C LEU A 73 5.626 5.617 -5.397 1.00 0.00 C ATOM 1139 O LEU A 73 5.459 5.716 -4.183 1.00 0.00 O ATOM 1140 CB LEU A 73 3.552 4.273 -6.072 1.00 0.00 C ATOM 1141 CG LEU A 73 2.747 5.559 -6.273 1.00 0.00 C ATOM 1142 CD1 LEU A 73 3.212 6.306 -7.525 1.00 0.00 C ATOM 1143 CD2 LEU A 73 1.246 5.267 -6.304 1.00 0.00 C ATOM 0 H LEU A 73 5.090 2.427 -5.489 1.00 0.00 H new ATOM 0 HA LEU A 73 5.292 4.577 -7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.229 3.546 -6.817 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.302 3.860 -5.094 1.00 0.00 H new ATOM 0 HG LEU A 73 2.930 6.214 -5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.624 7.216 -7.645 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.266 6.565 -7.424 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.078 5.669 -8.399 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.697 6.198 -6.448 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.025 4.585 -7.125 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.945 4.810 -5.361 1.00 0.00 H new ATOM 1155 N TYR A 74 6.273 6.502 -6.141 1.00 0.00 N ATOM 1156 CA TYR A 74 6.851 7.696 -5.548 1.00 0.00 C ATOM 1157 C TYR A 74 5.979 8.922 -5.821 1.00 0.00 C ATOM 1158 O TYR A 74 4.919 8.809 -6.435 1.00 0.00 O ATOM 1159 CB TYR A 74 8.209 7.889 -6.227 1.00 0.00 C ATOM 1160 CG TYR A 74 9.400 7.813 -5.271 1.00 0.00 C ATOM 1161 CD1 TYR A 74 9.422 6.863 -4.269 1.00 0.00 C ATOM 1162 CD2 TYR A 74 10.453 8.696 -5.408 1.00 0.00 C ATOM 1163 CE1 TYR A 74 10.543 6.792 -3.369 1.00 0.00 C ATOM 1164 CE2 TYR A 74 11.575 8.625 -4.507 1.00 0.00 C ATOM 1165 CZ TYR A 74 11.564 7.676 -3.532 1.00 0.00 C ATOM 1166 OH TYR A 74 12.623 7.609 -2.682 1.00 0.00 O ATOM 0 H TYR A 74 6.410 6.416 -7.148 1.00 0.00 H new ATOM 0 HA TYR A 74 6.936 7.585 -4.467 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.328 7.130 -7.000 1.00 0.00 H new ATOM 0 HB3 TYR A 74 8.219 8.857 -6.727 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.598 6.173 -4.161 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.435 9.440 -6.191 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.573 6.053 -2.582 1.00 0.00 H new ATOM 0 HE2 TYR A 74 12.405 9.309 -4.603 1.00 0.00 H new ATOM 0 HH TYR A 74 13.406 7.265 -3.161 1.00 0.00 H new ATOM 1176 N PRO A 75 6.470 10.096 -5.342 1.00 0.00 N ATOM 1177 CA PRO A 75 5.747 11.342 -5.529 1.00 0.00 C ATOM 1178 C PRO A 75 5.873 11.840 -6.970 1.00 0.00 C ATOM 1179 O PRO A 75 6.475 11.172 -7.810 1.00 0.00 O ATOM 1180 CB PRO A 75 6.347 12.302 -4.515 1.00 0.00 C ATOM 1181 CG PRO A 75 7.689 11.707 -4.121 1.00 0.00 C ATOM 1182 CD PRO A 75 7.722 10.268 -4.611 1.00 0.00 C ATOM 0 HA PRO A 75 4.674 11.233 -5.368 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.472 13.296 -4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.697 12.409 -3.646 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.505 12.279 -4.562 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.821 11.745 -3.040 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.584 10.088 -5.254 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.794 9.568 -3.779 1.00 0.00 H new ATOM 1190 N GLU A 76 5.296 13.007 -7.213 1.00 0.00 N ATOM 1191 CA GLU A 76 5.336 13.600 -8.538 1.00 0.00 C ATOM 1192 C GLU A 76 4.455 12.804 -9.504 1.00 0.00 C ATOM 1193 O GLU A 76 3.332 13.207 -9.802 1.00 0.00 O ATOM 1194 CB GLU A 76 6.772 13.691 -9.055 1.00 0.00 C ATOM 1195 CG GLU A 76 7.374 15.068 -8.766 1.00 0.00 C ATOM 1196 CD GLU A 76 8.683 14.942 -7.985 1.00 0.00 C ATOM 1197 OE1 GLU A 76 9.767 15.112 -8.561 1.00 0.00 O ATOM 1198 OE2 GLU A 76 8.547 14.659 -6.734 1.00 0.00 O ATOM 0 H GLU A 76 4.798 13.558 -6.514 1.00 0.00 H new ATOM 0 HA GLU A 76 4.943 14.615 -8.472 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.381 12.918 -8.585 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.788 13.501 -10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.555 15.594 -9.704 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.663 15.667 -8.197 1.00 0.00 H new ATOM 1206 N GLU A 77 4.999 11.687 -9.966 1.00 0.00 N ATOM 1207 CA GLU A 77 4.277 10.830 -10.891 1.00 0.00 C ATOM 1208 C GLU A 77 5.223 9.799 -11.509 1.00 0.00 C ATOM 1209 O GLU A 77 5.325 9.698 -12.730 1.00 0.00 O ATOM 1210 CB GLU A 77 3.583 11.657 -11.975 1.00 0.00 C ATOM 1211 CG GLU A 77 3.031 10.755 -13.082 1.00 0.00 C ATOM 1212 CD GLU A 77 1.708 11.300 -13.623 1.00 0.00 C ATOM 1213 OE1 GLU A 77 1.597 12.505 -13.895 1.00 0.00 O ATOM 1214 OE2 GLU A 77 0.772 10.422 -13.759 1.00 0.00 O ATOM 0 H GLU A 77 5.931 11.356 -9.717 1.00 0.00 H new ATOM 0 HA GLU A 77 3.505 10.298 -10.336 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.771 12.235 -11.533 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.288 12.371 -12.400 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.757 10.681 -13.892 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.882 9.747 -12.695 1.00 0.00 H new ATOM 1222 N ARG A 78 5.893 9.060 -10.636 1.00 0.00 N ATOM 1223 CA ARG A 78 6.828 8.041 -11.081 1.00 0.00 C ATOM 1224 C ARG A 78 6.957 6.942 -10.024 1.00 0.00 C ATOM 1225 O ARG A 78 6.552 7.128 -8.877 1.00 0.00 O ATOM 1226 CB ARG A 78 8.209 8.641 -11.354 1.00 0.00 C ATOM 1227 CG ARG A 78 8.088 10.054 -11.927 1.00 0.00 C ATOM 1228 CD ARG A 78 9.468 10.650 -12.211 1.00 0.00 C ATOM 1229 NE ARG A 78 9.329 11.912 -12.972 1.00 0.00 N ATOM 1230 CZ ARG A 78 9.103 13.116 -12.405 1.00 0.00 C ATOM 1231 NH1 ARG A 78 8.990 13.232 -11.065 1.00 0.00 N ATOM 1232 NH2 ARG A 78 8.995 14.178 -13.180 1.00 0.00 N ATOM 0 H ARG A 78 5.807 9.147 -9.623 1.00 0.00 H new ATOM 0 HA ARG A 78 6.440 7.617 -12.007 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.787 8.667 -10.430 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.754 8.006 -12.053 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.503 10.029 -12.846 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.551 10.691 -11.224 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.992 10.837 -11.274 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.070 9.939 -12.777 1.00 0.00 H new ATOM 0 HE ARG A 78 9.409 11.869 -13.988 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.075 12.406 -10.473 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.819 14.146 -10.645 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.082 14.082 -14.192 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.824 15.095 -12.768 1.00 0.00 H new ATOM 1245 N TYR A 79 7.523 5.821 -10.447 1.00 0.00 N ATOM 1246 CA TYR A 79 7.712 4.693 -9.551 1.00 0.00 C ATOM 1247 C TYR A 79 9.197 4.465 -9.261 1.00 0.00 C ATOM 1248 O TYR A 79 9.998 4.321 -10.183 1.00 0.00 O ATOM 1249 CB TYR A 79 7.154 3.473 -10.286 1.00 0.00 C ATOM 1250 CG TYR A 79 5.698 3.151 -9.946 1.00 0.00 C ATOM 1251 CD1 TYR A 79 4.808 4.176 -9.691 1.00 0.00 C ATOM 1252 CD2 TYR A 79 5.274 1.839 -9.893 1.00 0.00 C ATOM 1253 CE1 TYR A 79 3.436 3.874 -9.371 1.00 0.00 C ATOM 1254 CE2 TYR A 79 3.903 1.538 -9.572 1.00 0.00 C ATOM 1255 CZ TYR A 79 3.052 2.569 -9.327 1.00 0.00 C ATOM 1256 OH TYR A 79 1.757 2.285 -9.024 1.00 0.00 O ATOM 0 H TYR A 79 7.857 5.670 -11.399 1.00 0.00 H new ATOM 0 HA TYR A 79 7.213 4.872 -8.599 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.237 3.640 -11.360 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.771 2.606 -10.050 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.140 5.203 -9.731 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.970 1.038 -10.092 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.729 4.665 -9.171 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.558 0.515 -9.527 1.00 0.00 H new ATOM 0 HH TYR A 79 1.728 1.629 -8.297 1.00 0.00 H new ATOM 1266 N MET A 80 9.519 4.440 -7.976 1.00 0.00 N ATOM 1267 CA MET A 80 10.893 4.231 -7.553 1.00 0.00 C ATOM 1268 C MET A 80 11.117 2.784 -7.110 1.00 0.00 C ATOM 1269 O MET A 80 10.524 2.331 -6.132 1.00 0.00 O ATOM 1270 CB MET A 80 11.220 5.176 -6.395 1.00 0.00 C ATOM 1271 CG MET A 80 12.673 5.011 -5.945 1.00 0.00 C ATOM 1272 SD MET A 80 13.403 6.611 -5.640 1.00 0.00 S ATOM 1273 CE MET A 80 14.801 6.530 -6.746 1.00 0.00 C ATOM 0 H MET A 80 8.852 4.561 -7.214 1.00 0.00 H new ATOM 0 HA MET A 80 11.549 4.437 -8.399 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.046 6.207 -6.702 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.551 4.976 -5.558 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.716 4.404 -5.040 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.242 4.483 -6.710 1.00 0.00 H new ATOM 0 HE1 MET A 80 15.371 7.457 -6.681 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.439 5.692 -6.466 1.00 0.00 H new ATOM 0 HE3 MET A 80 14.449 6.392 -7.768 1.00 0.00 H new ATOM 1283 N ASP A 81 11.975 2.099 -7.852 1.00 0.00 N ATOM 1284 CA ASP A 81 12.284 0.711 -7.549 1.00 0.00 C ATOM 1285 C ASP A 81 13.425 0.657 -6.530 1.00 0.00 C ATOM 1286 O ASP A 81 13.845 1.689 -6.009 1.00 0.00 O ATOM 1287 CB ASP A 81 12.734 -0.040 -8.803 1.00 0.00 C ATOM 1288 CG ASP A 81 14.061 0.433 -9.399 1.00 0.00 C ATOM 1289 OD1 ASP A 81 14.519 -0.081 -10.430 1.00 0.00 O ATOM 1290 OD2 ASP A 81 14.642 1.384 -8.749 1.00 0.00 O ATOM 0 H ASP A 81 12.466 2.479 -8.662 1.00 0.00 H new ATOM 0 HA ASP A 81 11.382 0.244 -7.154 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.818 -1.100 -8.563 1.00 0.00 H new ATOM 0 HB3 ASP A 81 11.958 0.054 -9.563 1.00 0.00 H new ATOM 1296 N ASN A 82 13.893 -0.556 -6.278 1.00 0.00 N ATOM 1297 CA ASN A 82 14.978 -0.758 -5.333 1.00 0.00 C ATOM 1298 C ASN A 82 16.257 -1.102 -6.097 1.00 0.00 C ATOM 1299 O ASN A 82 17.299 -1.349 -5.492 1.00 0.00 O ATOM 1300 CB ASN A 82 14.670 -1.915 -4.381 1.00 0.00 C ATOM 1301 CG ASN A 82 14.615 -3.246 -5.134 1.00 0.00 C ATOM 1302 OD1 ASN A 82 15.601 -3.947 -5.282 1.00 0.00 O ATOM 1303 ND2 ASN A 82 13.407 -3.552 -5.602 1.00 0.00 N ATOM 0 H ASN A 82 13.541 -1.409 -6.712 1.00 0.00 H new ATOM 0 HA ASN A 82 15.100 0.160 -4.758 1.00 0.00 H new ATOM 0 HB2 ASN A 82 15.433 -1.964 -3.604 1.00 0.00 H new ATOM 0 HB3 ASN A 82 13.718 -1.736 -3.882 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.265 -4.419 -6.120 1.00 0.00 H new ATOM 0 HD22 ASN A 82 12.623 -2.919 -5.442 1.00 0.00 H new ATOM 1310 N ASN A 83 16.137 -1.107 -7.417 1.00 0.00 N ATOM 1311 CA ASN A 83 17.272 -1.418 -8.271 1.00 0.00 C ATOM 1312 C ASN A 83 18.126 -0.162 -8.453 1.00 0.00 C ATOM 1313 O ASN A 83 19.131 -0.188 -9.161 1.00 0.00 O ATOM 1314 CB ASN A 83 16.810 -1.881 -9.653 1.00 0.00 C ATOM 1315 CG ASN A 83 17.844 -2.810 -10.294 1.00 0.00 C ATOM 1316 OD1 ASN A 83 18.811 -2.380 -10.899 1.00 0.00 O ATOM 1317 ND2 ASN A 83 17.584 -4.104 -10.128 1.00 0.00 N ATOM 0 H ASN A 83 15.272 -0.901 -7.916 1.00 0.00 H new ATOM 0 HA ASN A 83 17.843 -2.216 -7.796 1.00 0.00 H new ATOM 0 HB2 ASN A 83 15.855 -2.399 -9.567 1.00 0.00 H new ATOM 0 HB3 ASN A 83 16.646 -1.015 -10.295 1.00 0.00 H new ATOM 0 HD21 ASN A 83 18.213 -4.805 -10.519 1.00 0.00 H new ATOM 0 HD22 ASN A 83 16.755 -4.395 -9.610 1.00 0.00 H new ATOM 1324 N SER A 84 17.694 0.909 -7.802 1.00 0.00 N ATOM 1325 CA SER A 84 18.406 2.172 -7.885 1.00 0.00 C ATOM 1326 C SER A 84 18.018 2.909 -9.169 1.00 0.00 C ATOM 1327 O SER A 84 18.870 3.498 -9.832 1.00 0.00 O ATOM 1328 CB SER A 84 19.919 1.956 -7.834 1.00 0.00 C ATOM 1329 OG SER A 84 20.592 3.038 -7.196 1.00 0.00 O ATOM 0 H SER A 84 16.860 0.927 -7.215 1.00 0.00 H new ATOM 0 HA SER A 84 18.124 2.780 -7.025 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.135 1.030 -7.301 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.303 1.838 -8.847 1.00 0.00 H new ATOM 0 HG SER A 84 21.556 2.861 -7.182 1.00 0.00 H new ATOM 1335 N ARG A 85 16.731 2.852 -9.480 1.00 0.00 N ATOM 1336 CA ARG A 85 16.220 3.506 -10.672 1.00 0.00 C ATOM 1337 C ARG A 85 14.822 4.070 -10.410 1.00 0.00 C ATOM 1338 O ARG A 85 14.149 3.657 -9.468 1.00 0.00 O ATOM 1339 CB ARG A 85 16.157 2.532 -11.851 1.00 0.00 C ATOM 1340 CG ARG A 85 17.561 2.092 -12.274 1.00 0.00 C ATOM 1341 CD ARG A 85 18.121 3.017 -13.355 1.00 0.00 C ATOM 1342 NE ARG A 85 19.598 2.918 -13.390 1.00 0.00 N ATOM 1343 CZ ARG A 85 20.275 1.860 -13.884 1.00 0.00 C ATOM 1344 NH1 ARG A 85 19.612 0.799 -14.392 1.00 0.00 N ATOM 1345 NH2 ARG A 85 21.595 1.878 -13.864 1.00 0.00 N ATOM 0 H ARG A 85 16.027 2.363 -8.927 1.00 0.00 H new ATOM 0 HA ARG A 85 16.902 4.318 -10.923 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.566 1.659 -11.575 1.00 0.00 H new ATOM 0 HB3 ARG A 85 15.651 3.006 -12.692 1.00 0.00 H new ATOM 0 HG2 ARG A 85 18.223 2.095 -11.408 1.00 0.00 H new ATOM 0 HG3 ARG A 85 17.529 1.068 -12.647 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.707 2.747 -14.327 1.00 0.00 H new ATOM 0 HD3 ARG A 85 17.822 4.046 -13.156 1.00 0.00 H new ATOM 0 HE ARG A 85 20.138 3.699 -13.017 1.00 0.00 H new ATOM 0 HH11 ARG A 85 18.592 0.793 -14.404 1.00 0.00 H new ATOM 0 HH12 ARG A 85 20.131 0.003 -14.763 1.00 0.00 H new ATOM 0 HH21 ARG A 85 22.088 2.684 -13.479 1.00 0.00 H new ATOM 0 HH22 ARG A 85 22.121 1.086 -14.233 1.00 0.00 H new ATOM 1358 N LEU A 86 14.427 5.005 -11.262 1.00 0.00 N ATOM 1359 CA LEU A 86 13.122 5.631 -11.134 1.00 0.00 C ATOM 1360 C LEU A 86 12.377 5.524 -12.467 1.00 0.00 C ATOM 1361 O LEU A 86 12.760 6.161 -13.447 1.00 0.00 O ATOM 1362 CB LEU A 86 13.263 7.065 -10.622 1.00 0.00 C ATOM 1363 CG LEU A 86 12.104 7.592 -9.774 1.00 0.00 C ATOM 1364 CD1 LEU A 86 12.246 9.094 -9.523 1.00 0.00 C ATOM 1365 CD2 LEU A 86 10.757 7.242 -10.409 1.00 0.00 C ATOM 0 H LEU A 86 14.988 5.344 -12.044 1.00 0.00 H new ATOM 0 HA LEU A 86 12.521 5.109 -10.389 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.177 7.131 -10.033 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.389 7.725 -11.480 1.00 0.00 H new ATOM 0 HG LEU A 86 12.140 7.099 -8.803 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.409 9.443 -8.918 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.180 9.288 -8.996 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.250 9.623 -10.476 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.950 7.628 -9.786 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.695 7.689 -11.401 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.665 6.159 -10.493 1.00 0.00 H new ATOM 1377 N TRP A 87 11.329 4.716 -12.459 1.00 0.00 N ATOM 1378 CA TRP A 87 10.527 4.516 -13.655 1.00 0.00 C ATOM 1379 C TRP A 87 9.471 5.622 -13.704 1.00 0.00 C ATOM 1380 O TRP A 87 8.840 5.929 -12.694 1.00 0.00 O ATOM 1381 CB TRP A 87 9.924 3.111 -13.683 1.00 0.00 C ATOM 1382 CG TRP A 87 10.961 1.988 -13.630 1.00 0.00 C ATOM 1383 CD1 TRP A 87 11.982 1.847 -12.774 1.00 0.00 C ATOM 1384 CD2 TRP A 87 11.038 0.845 -14.509 1.00 0.00 C ATOM 1385 NE1 TRP A 87 12.708 0.703 -13.035 1.00 0.00 N ATOM 1386 CE2 TRP A 87 12.115 0.074 -14.124 1.00 0.00 C ATOM 1387 CE3 TRP A 87 10.223 0.475 -15.594 1.00 0.00 C ATOM 1388 CZ2 TRP A 87 12.477 -1.115 -14.769 1.00 0.00 C ATOM 1389 CZ3 TRP A 87 10.598 -0.715 -16.228 1.00 0.00 C ATOM 1390 CH2 TRP A 87 11.679 -1.502 -15.852 1.00 0.00 C ATOM 0 H TRP A 87 11.015 4.191 -11.643 1.00 0.00 H new ATOM 0 HA TRP A 87 11.145 4.584 -14.550 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.242 3.002 -12.839 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.329 3.000 -14.590 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.208 2.542 -11.979 1.00 0.00 H new ATOM 0 HE1 TRP A 87 13.529 0.379 -12.523 1.00 0.00 H new ATOM 0 HE3 TRP A 87 9.375 1.063 -15.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 13.325 -1.701 -14.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 10.005 -1.044 -17.069 1.00 0.00 H new ATOM 0 HH2 TRP A 87 11.903 -2.409 -16.393 1.00 0.00 H new ATOM 1401 N GLN A 88 9.310 6.190 -14.890 1.00 0.00 N ATOM 1402 CA GLN A 88 8.341 7.255 -15.085 1.00 0.00 C ATOM 1403 C GLN A 88 7.011 6.678 -15.576 1.00 0.00 C ATOM 1404 O GLN A 88 6.948 6.077 -16.646 1.00 0.00 O ATOM 1405 CB GLN A 88 8.873 8.309 -16.059 1.00 0.00 C ATOM 1406 CG GLN A 88 7.732 9.152 -16.630 1.00 0.00 C ATOM 1407 CD GLN A 88 8.129 10.628 -16.716 1.00 0.00 C ATOM 1408 OE1 GLN A 88 9.168 10.987 -17.246 1.00 0.00 O ATOM 1409 NE2 GLN A 88 7.247 11.458 -16.167 1.00 0.00 N ATOM 0 H GLN A 88 9.835 5.933 -15.726 1.00 0.00 H new ATOM 0 HA GLN A 88 8.171 7.746 -14.127 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.587 8.955 -15.547 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.411 7.820 -16.871 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.465 8.785 -17.621 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.847 9.046 -16.002 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.397 11.090 -15.740 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.420 12.463 -16.173 1.00 0.00 H new ATOM 1418 N ILE A 89 5.981 6.883 -14.767 1.00 0.00 N ATOM 1419 CA ILE A 89 4.656 6.391 -15.105 1.00 0.00 C ATOM 1420 C ILE A 89 4.217 6.995 -16.440 1.00 0.00 C ATOM 1421 O ILE A 89 3.617 8.068 -16.471 1.00 0.00 O ATOM 1422 CB ILE A 89 3.678 6.655 -13.958 1.00 0.00 C ATOM 1423 CG1 ILE A 89 4.163 6.002 -12.662 1.00 0.00 C ATOM 1424 CG2 ILE A 89 2.263 6.209 -14.330 1.00 0.00 C ATOM 1425 CD1 ILE A 89 3.854 4.503 -12.655 1.00 0.00 C ATOM 0 H ILE A 89 6.037 7.383 -13.879 1.00 0.00 H new ATOM 0 HA ILE A 89 4.673 5.309 -15.236 1.00 0.00 H new ATOM 0 HB ILE A 89 3.641 7.730 -13.782 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.236 6.156 -12.552 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.683 6.480 -11.808 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.588 6.408 -13.497 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.927 6.760 -15.209 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.264 5.141 -14.549 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.209 4.063 -11.723 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.778 4.353 -12.741 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.355 4.024 -13.496 1.00 0.00 H new ATOM 1437 N GLN A 90 4.532 6.281 -17.509 1.00 0.00 N ATOM 1438 CA GLN A 90 4.178 6.733 -18.843 1.00 0.00 C ATOM 1439 C GLN A 90 2.697 7.117 -18.898 1.00 0.00 C ATOM 1440 O GLN A 90 2.343 8.162 -19.440 1.00 0.00 O ATOM 1441 CB GLN A 90 4.507 5.666 -19.889 1.00 0.00 C ATOM 1442 CG GLN A 90 5.341 6.255 -21.029 1.00 0.00 C ATOM 1443 CD GLN A 90 4.565 7.346 -21.770 1.00 0.00 C ATOM 1444 OE1 GLN A 90 4.085 8.306 -21.189 1.00 0.00 O ATOM 1445 NE2 GLN A 90 4.469 7.146 -23.081 1.00 0.00 N ATOM 0 H GLN A 90 5.029 5.391 -17.479 1.00 0.00 H new ATOM 0 HA GLN A 90 4.771 7.617 -19.075 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.053 4.847 -19.420 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.584 5.246 -20.288 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.267 6.670 -20.630 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.620 5.465 -21.726 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.894 6.321 -23.503 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.970 7.818 -23.664 1.00 0.00 H new ATOM 1454 N HIS A 91 1.873 6.250 -18.329 1.00 0.00 N ATOM 1455 CA HIS A 91 0.440 6.485 -18.306 1.00 0.00 C ATOM 1456 C HIS A 91 -0.239 5.429 -17.431 1.00 0.00 C ATOM 1457 O HIS A 91 0.135 4.258 -17.462 1.00 0.00 O ATOM 1458 CB HIS A 91 -0.128 6.532 -19.726 1.00 0.00 C ATOM 1459 CG HIS A 91 -0.756 5.237 -20.179 1.00 0.00 C ATOM 1460 ND1 HIS A 91 -0.466 4.646 -21.397 1.00 0.00 N ATOM 1461 CD2 HIS A 91 -1.663 4.423 -19.565 1.00 0.00 C ATOM 1462 CE1 HIS A 91 -1.171 3.531 -21.501 1.00 0.00 C ATOM 1463 NE2 HIS A 91 -1.914 3.394 -20.364 1.00 0.00 N ATOM 0 H HIS A 91 2.171 5.384 -17.880 1.00 0.00 H new ATOM 0 HA HIS A 91 0.236 7.460 -17.864 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.874 7.325 -19.782 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.672 6.798 -20.418 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -2.102 4.589 -18.592 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.160 2.849 -22.338 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -2.556 2.627 -20.162 1.00 0.00 H new ATOM 1471 N HIS A 92 -1.227 5.881 -16.672 1.00 0.00 N ATOM 1472 CA HIS A 92 -1.961 4.990 -15.790 1.00 0.00 C ATOM 1473 C HIS A 92 -3.460 5.276 -15.904 1.00 0.00 C ATOM 1474 O HIS A 92 -3.921 6.351 -15.523 1.00 0.00 O ATOM 1475 CB HIS A 92 -1.444 5.101 -14.354 1.00 0.00 C ATOM 1476 CG HIS A 92 -2.215 4.266 -13.358 1.00 0.00 C ATOM 1477 ND1 HIS A 92 -2.867 4.814 -12.267 1.00 0.00 N ATOM 1478 CD2 HIS A 92 -2.432 2.921 -13.301 1.00 0.00 C ATOM 1479 CE1 HIS A 92 -3.446 3.833 -11.590 1.00 0.00 C ATOM 1480 NE2 HIS A 92 -3.174 2.661 -12.232 1.00 0.00 N ATOM 0 H HIS A 92 -1.536 6.853 -16.650 1.00 0.00 H new ATOM 0 HA HIS A 92 -1.799 3.956 -16.094 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.397 4.800 -14.331 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.483 6.145 -14.044 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -2.063 2.191 -14.006 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -4.030 3.942 -10.688 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -3.489 1.736 -11.939 1.00 0.00 H new ATOM 1488 N LEU A 93 -4.178 4.294 -16.429 1.00 0.00 N ATOM 1489 CA LEU A 93 -5.615 4.425 -16.598 1.00 0.00 C ATOM 1490 C LEU A 93 -6.256 3.037 -16.580 1.00 0.00 C ATOM 1491 O LEU A 93 -5.590 2.046 -16.281 1.00 0.00 O ATOM 1492 CB LEU A 93 -5.935 5.234 -17.857 1.00 0.00 C ATOM 1493 CG LEU A 93 -5.020 4.993 -19.059 1.00 0.00 C ATOM 1494 CD1 LEU A 93 -5.837 4.707 -20.322 1.00 0.00 C ATOM 1495 CD2 LEU A 93 -4.053 6.162 -19.255 1.00 0.00 C ATOM 0 H LEU A 93 -3.791 3.404 -16.743 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.046 4.986 -15.768 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.960 5.014 -18.156 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.897 6.293 -17.603 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.418 4.107 -18.857 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.162 4.539 -21.162 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.450 3.819 -20.166 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.482 5.559 -20.539 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.414 5.965 -20.116 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.619 7.078 -19.425 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.436 6.277 -18.364 1.00 0.00 H new ATOM 1507 N MET A 94 -7.540 3.007 -16.903 1.00 0.00 N ATOM 1508 CA MET A 94 -8.278 1.756 -16.929 1.00 0.00 C ATOM 1509 C MET A 94 -8.876 1.501 -18.313 1.00 0.00 C ATOM 1510 O MET A 94 -9.542 2.368 -18.875 1.00 0.00 O ATOM 1511 CB MET A 94 -9.399 1.803 -15.888 1.00 0.00 C ATOM 1512 CG MET A 94 -10.489 0.779 -16.210 1.00 0.00 C ATOM 1513 SD MET A 94 -11.249 0.202 -14.702 1.00 0.00 S ATOM 1514 CE MET A 94 -10.223 -1.219 -14.361 1.00 0.00 C ATOM 0 H MET A 94 -8.089 3.831 -17.149 1.00 0.00 H new ATOM 0 HA MET A 94 -7.589 0.944 -16.697 1.00 0.00 H new ATOM 0 HB2 MET A 94 -8.989 1.604 -14.898 1.00 0.00 H new ATOM 0 HB3 MET A 94 -9.832 2.803 -15.859 1.00 0.00 H new ATOM 0 HG2 MET A 94 -11.242 1.228 -16.858 1.00 0.00 H new ATOM 0 HG3 MET A 94 -10.060 -0.062 -16.756 1.00 0.00 H new ATOM 0 HE1 MET A 94 -10.834 -2.121 -14.377 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.443 -1.295 -15.119 1.00 0.00 H new ATOM 0 HE3 MET A 94 -9.764 -1.109 -13.378 1.00 0.00 H new ATOM 1524 N VAL A 95 -8.618 0.305 -18.822 1.00 0.00 N ATOM 1525 CA VAL A 95 -9.124 -0.076 -20.131 1.00 0.00 C ATOM 1526 C VAL A 95 -9.753 -1.468 -20.044 1.00 0.00 C ATOM 1527 O VAL A 95 -9.213 -2.357 -19.387 1.00 0.00 O ATOM 1528 CB VAL A 95 -8.004 0.010 -21.170 1.00 0.00 C ATOM 1529 CG1 VAL A 95 -8.404 -0.696 -22.467 1.00 0.00 C ATOM 1530 CG2 VAL A 95 -7.613 1.465 -21.436 1.00 0.00 C ATOM 0 H VAL A 95 -8.066 -0.413 -18.352 1.00 0.00 H new ATOM 0 HA VAL A 95 -9.904 0.614 -20.455 1.00 0.00 H new ATOM 0 HB VAL A 95 -7.131 -0.502 -20.765 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.590 -0.620 -23.188 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.609 -1.746 -22.261 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -9.298 -0.225 -22.877 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.815 1.498 -22.178 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.479 2.012 -21.810 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.266 1.924 -20.510 1.00 0.00 H new ATOM 1540 N ARG A 96 -10.885 -1.613 -20.716 1.00 0.00 N ATOM 1541 CA ARG A 96 -11.594 -2.881 -20.722 1.00 0.00 C ATOM 1542 C ARG A 96 -11.715 -3.429 -19.298 1.00 0.00 C ATOM 1543 O ARG A 96 -11.576 -4.631 -19.077 1.00 0.00 O ATOM 1544 CB ARG A 96 -10.875 -3.910 -21.596 1.00 0.00 C ATOM 1545 CG ARG A 96 -11.360 -3.831 -23.046 1.00 0.00 C ATOM 1546 CD ARG A 96 -11.024 -5.116 -23.806 1.00 0.00 C ATOM 1547 NE ARG A 96 -12.156 -6.065 -23.723 1.00 0.00 N ATOM 1548 CZ ARG A 96 -13.283 -5.964 -24.460 1.00 0.00 C ATOM 1549 NH1 ARG A 96 -13.438 -4.953 -25.341 1.00 0.00 N ATOM 1550 NH2 ARG A 96 -14.233 -6.868 -24.305 1.00 0.00 N ATOM 0 H ARG A 96 -11.329 -0.873 -21.260 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.588 -2.702 -21.133 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.800 -3.737 -21.558 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.050 -4.912 -21.204 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.437 -3.664 -23.065 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.897 -2.979 -23.543 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -10.808 -4.885 -24.849 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -10.126 -5.571 -23.388 1.00 0.00 H new ATOM 0 HE ARG A 96 -12.080 -6.844 -23.069 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -12.700 -4.258 -25.454 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.293 -4.885 -25.894 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -14.109 -7.628 -23.636 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -15.090 -6.806 -24.854 1.00 0.00 H new ATOM 1563 N GLY A 97 -11.974 -2.520 -18.369 1.00 0.00 N ATOM 1564 CA GLY A 97 -12.114 -2.897 -16.972 1.00 0.00 C ATOM 1565 C GLY A 97 -10.794 -3.431 -16.414 1.00 0.00 C ATOM 1566 O GLY A 97 -10.790 -4.223 -15.472 1.00 0.00 O ATOM 0 H GLY A 97 -12.091 -1.524 -18.556 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.437 -2.034 -16.389 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.889 -3.657 -16.873 1.00 0.00 H new ATOM 1570 N VAL A 98 -9.706 -2.977 -17.017 1.00 0.00 N ATOM 1571 CA VAL A 98 -8.382 -3.400 -16.591 1.00 0.00 C ATOM 1572 C VAL A 98 -7.473 -2.175 -16.475 1.00 0.00 C ATOM 1573 O VAL A 98 -7.435 -1.339 -17.376 1.00 0.00 O ATOM 1574 CB VAL A 98 -7.838 -4.461 -17.550 1.00 0.00 C ATOM 1575 CG1 VAL A 98 -6.312 -4.395 -17.632 1.00 0.00 C ATOM 1576 CG2 VAL A 98 -8.306 -5.859 -17.143 1.00 0.00 C ATOM 0 H VAL A 98 -9.713 -2.320 -17.797 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.427 -3.865 -15.606 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.236 -4.251 -18.543 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.951 -5.159 -18.320 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.009 -3.411 -17.991 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.887 -4.567 -16.643 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.905 -6.594 -17.841 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.951 -6.083 -16.137 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.395 -5.898 -17.161 1.00 0.00 H new ATOM 1586 N GLN A 99 -6.762 -2.109 -15.360 1.00 0.00 N ATOM 1587 CA GLN A 99 -5.854 -1.001 -15.115 1.00 0.00 C ATOM 1588 C GLN A 99 -4.506 -1.261 -15.790 1.00 0.00 C ATOM 1589 O GLN A 99 -3.798 -2.200 -15.430 1.00 0.00 O ATOM 1590 CB GLN A 99 -5.679 -0.758 -13.614 1.00 0.00 C ATOM 1591 CG GLN A 99 -7.029 -0.531 -12.934 1.00 0.00 C ATOM 1592 CD GLN A 99 -7.010 -1.044 -11.492 1.00 0.00 C ATOM 1593 OE1 GLN A 99 -6.007 -1.522 -10.989 1.00 0.00 O ATOM 1594 NE2 GLN A 99 -8.173 -0.918 -10.858 1.00 0.00 N ATOM 0 H GLN A 99 -6.796 -2.805 -14.615 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.286 -0.099 -15.548 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.178 -1.613 -13.160 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -5.037 0.109 -13.455 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -7.270 0.532 -12.942 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -7.813 -1.040 -13.495 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.974 -0.508 -11.339 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.263 -1.231 -9.891 1.00 0.00 H new ATOM 1603 N GLU A 100 -4.191 -0.412 -16.757 1.00 0.00 N ATOM 1604 CA GLU A 100 -2.940 -0.536 -17.485 1.00 0.00 C ATOM 1605 C GLU A 100 -1.974 0.578 -17.075 1.00 0.00 C ATOM 1606 O GLU A 100 -2.164 1.736 -17.441 1.00 0.00 O ATOM 1607 CB GLU A 100 -3.181 -0.525 -18.996 1.00 0.00 C ATOM 1608 CG GLU A 100 -1.860 -0.619 -19.762 1.00 0.00 C ATOM 1609 CD GLU A 100 -2.107 -0.746 -21.267 1.00 0.00 C ATOM 1610 OE1 GLU A 100 -2.636 -1.770 -21.724 1.00 0.00 O ATOM 1611 OE2 GLU A 100 -1.729 0.268 -21.968 1.00 0.00 O ATOM 0 H GLU A 100 -4.781 0.365 -17.053 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.487 -1.494 -17.230 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.825 -1.360 -19.271 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.705 0.388 -19.278 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.256 0.266 -19.562 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.291 -1.479 -19.409 1.00 0.00 H new ATOM 1619 N LEU A 101 -0.958 0.187 -16.319 1.00 0.00 N ATOM 1620 CA LEU A 101 0.038 1.138 -15.854 1.00 0.00 C ATOM 1621 C LEU A 101 1.298 1.009 -16.712 1.00 0.00 C ATOM 1622 O LEU A 101 1.891 -0.066 -16.794 1.00 0.00 O ATOM 1623 CB LEU A 101 0.292 0.959 -14.357 1.00 0.00 C ATOM 1624 CG LEU A 101 0.666 2.226 -13.584 1.00 0.00 C ATOM 1625 CD1 LEU A 101 0.645 1.974 -12.075 1.00 0.00 C ATOM 1626 CD2 LEU A 101 2.013 2.778 -14.055 1.00 0.00 C ATOM 0 H LEU A 101 -0.803 -0.775 -16.017 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.325 2.159 -15.971 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.604 0.533 -13.905 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.092 0.230 -14.229 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.085 2.988 -13.793 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.914 2.890 -11.549 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.355 1.662 -11.772 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.360 1.190 -11.827 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.255 3.678 -13.490 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.789 2.029 -13.895 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.956 3.020 -15.116 1.00 0.00 H new ATOM 1638 N LEU A 102 1.671 2.121 -17.330 1.00 0.00 N ATOM 1639 CA LEU A 102 2.851 2.146 -18.178 1.00 0.00 C ATOM 1640 C LEU A 102 4.034 2.700 -17.383 1.00 0.00 C ATOM 1641 O LEU A 102 3.968 3.813 -16.863 1.00 0.00 O ATOM 1642 CB LEU A 102 2.565 2.912 -19.471 1.00 0.00 C ATOM 1643 CG LEU A 102 1.344 2.449 -20.269 1.00 0.00 C ATOM 1644 CD1 LEU A 102 1.554 2.667 -21.769 1.00 0.00 C ATOM 1645 CD2 LEU A 102 0.995 0.995 -19.944 1.00 0.00 C ATOM 0 H LEU A 102 1.177 3.011 -17.260 1.00 0.00 H new ATOM 0 HA LEU A 102 3.120 1.136 -18.486 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.435 3.966 -19.224 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.443 2.841 -20.114 1.00 0.00 H new ATOM 0 HG LEU A 102 0.491 3.059 -19.972 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.672 2.330 -22.313 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.717 3.727 -21.963 1.00 0.00 H new ATOM 0 HD13 LEU A 102 2.424 2.100 -22.101 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.124 0.691 -20.525 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.840 0.353 -20.195 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.773 0.903 -18.881 1.00 0.00 H new ATOM 1657 N LEU A 103 5.087 1.900 -17.314 1.00 0.00 N ATOM 1658 CA LEU A 103 6.284 2.299 -16.593 1.00 0.00 C ATOM 1659 C LEU A 103 7.438 2.471 -17.582 1.00 0.00 C ATOM 1660 O LEU A 103 7.724 1.571 -18.371 1.00 0.00 O ATOM 1661 CB LEU A 103 6.583 1.310 -15.465 1.00 0.00 C ATOM 1662 CG LEU A 103 5.726 1.448 -14.205 1.00 0.00 C ATOM 1663 CD1 LEU A 103 5.676 0.131 -13.428 1.00 0.00 C ATOM 1664 CD2 LEU A 103 6.212 2.609 -13.336 1.00 0.00 C ATOM 0 H LEU A 103 5.137 0.977 -17.745 1.00 0.00 H new ATOM 0 HA LEU A 103 6.133 3.264 -16.109 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.461 0.299 -15.854 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.630 1.419 -15.182 1.00 0.00 H new ATOM 0 HG LEU A 103 4.705 1.680 -14.510 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.060 0.257 -12.537 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.247 -0.647 -14.059 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.685 -0.156 -13.134 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.586 2.685 -12.447 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.245 2.433 -13.038 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.152 3.538 -13.903 1.00 0.00 H new ATOM 1676 N LYS A 104 8.070 3.633 -17.509 1.00 0.00 N ATOM 1677 CA LYS A 104 9.186 3.935 -18.389 1.00 0.00 C ATOM 1678 C LYS A 104 10.451 4.133 -17.551 1.00 0.00 C ATOM 1679 O LYS A 104 10.459 4.925 -16.610 1.00 0.00 O ATOM 1680 CB LYS A 104 8.851 5.126 -19.289 1.00 0.00 C ATOM 1681 CG LYS A 104 9.821 5.211 -20.468 1.00 0.00 C ATOM 1682 CD LYS A 104 9.232 4.542 -21.712 1.00 0.00 C ATOM 1683 CE LYS A 104 8.311 5.502 -22.466 1.00 0.00 C ATOM 1684 NZ LYS A 104 9.070 6.247 -23.497 1.00 0.00 N ATOM 0 H LYS A 104 7.830 4.377 -16.854 1.00 0.00 H new ATOM 0 HA LYS A 104 9.377 3.100 -19.063 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.830 5.031 -19.659 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.895 6.048 -18.710 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.046 6.255 -20.684 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.763 4.731 -20.204 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.038 4.214 -22.369 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.675 3.651 -21.421 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.500 4.944 -22.935 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.854 6.202 -21.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.081 7.259 -23.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.046 5.889 -23.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.616 6.117 -24.424 1.00 0.00 H new ATOM 1697 N LEU A 105 11.489 3.400 -17.924 1.00 0.00 N ATOM 1698 CA LEU A 105 12.757 3.484 -17.218 1.00 0.00 C ATOM 1699 C LEU A 105 13.770 4.233 -18.087 1.00 0.00 C ATOM 1700 O LEU A 105 14.135 3.764 -19.165 1.00 0.00 O ATOM 1701 CB LEU A 105 13.225 2.093 -16.788 1.00 0.00 C ATOM 1702 CG LEU A 105 14.589 2.027 -16.101 1.00 0.00 C ATOM 1703 CD1 LEU A 105 14.683 3.052 -14.968 1.00 0.00 C ATOM 1704 CD2 LEU A 105 14.892 0.607 -15.616 1.00 0.00 C ATOM 0 H LEU A 105 11.479 2.745 -18.706 1.00 0.00 H new ATOM 0 HA LEU A 105 12.643 4.054 -16.296 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.480 1.673 -16.112 1.00 0.00 H new ATOM 0 HB3 LEU A 105 13.253 1.452 -17.669 1.00 0.00 H new ATOM 0 HG LEU A 105 15.353 2.286 -16.834 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.663 2.984 -14.496 1.00 0.00 H new ATOM 0 HD12 LEU A 105 14.544 4.055 -15.372 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.909 2.848 -14.228 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.868 0.589 -15.131 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.128 0.295 -14.905 1.00 0.00 H new ATOM 0 HD23 LEU A 105 14.896 -0.075 -16.466 1.00 0.00 H new ATOM 1716 N LEU A 106 14.196 5.383 -17.587 1.00 0.00 N ATOM 1717 CA LEU A 106 15.158 6.201 -18.305 1.00 0.00 C ATOM 1718 C LEU A 106 16.566 5.894 -17.790 1.00 0.00 C ATOM 1719 O LEU A 106 16.731 5.423 -16.666 1.00 0.00 O ATOM 1720 CB LEU A 106 14.778 7.681 -18.211 1.00 0.00 C ATOM 1721 CG LEU A 106 13.280 7.986 -18.148 1.00 0.00 C ATOM 1722 CD1 LEU A 106 13.035 9.443 -17.752 1.00 0.00 C ATOM 1723 CD2 LEU A 106 12.592 7.626 -19.466 1.00 0.00 C ATOM 0 H LEU A 106 13.892 5.768 -16.693 1.00 0.00 H new ATOM 0 HA LEU A 106 15.147 5.959 -19.368 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.252 8.102 -17.324 1.00 0.00 H new ATOM 0 HB3 LEU A 106 15.198 8.199 -19.073 1.00 0.00 H new ATOM 0 HG LEU A 106 12.835 7.362 -17.372 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.963 9.634 -17.714 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.472 9.632 -16.771 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.496 10.102 -18.488 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.528 7.852 -19.395 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.033 8.206 -20.277 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.724 6.563 -19.667 1.00 0.00 H new ATOM 1735 N PRO A 107 17.571 6.180 -18.661 1.00 0.00 N ATOM 1736 CA PRO A 107 18.960 5.939 -18.306 1.00 0.00 C ATOM 1737 C PRO A 107 19.465 6.995 -17.321 1.00 0.00 C ATOM 1738 O PRO A 107 18.946 8.110 -17.280 1.00 0.00 O ATOM 1739 CB PRO A 107 19.710 5.952 -19.627 1.00 0.00 C ATOM 1740 CG PRO A 107 18.799 6.656 -20.618 1.00 0.00 C ATOM 1741 CD PRO A 107 17.413 6.739 -20.000 1.00 0.00 C ATOM 0 HA PRO A 107 19.105 4.990 -17.790 1.00 0.00 H new ATOM 0 HB2 PRO A 107 20.661 6.476 -19.531 1.00 0.00 H new ATOM 0 HB3 PRO A 107 19.937 4.938 -19.957 1.00 0.00 H new ATOM 0 HG2 PRO A 107 19.177 7.653 -20.842 1.00 0.00 H new ATOM 0 HG3 PRO A 107 18.765 6.109 -21.560 1.00 0.00 H new ATOM 0 HD2 PRO A 107 17.058 7.769 -19.960 1.00 0.00 H new ATOM 0 HD3 PRO A 107 16.685 6.174 -20.582 1.00 0.00 H new ATOM 1749 N ASP A 108 20.472 6.608 -16.552 1.00 0.00 N ATOM 1750 CA ASP A 108 21.053 7.507 -15.570 1.00 0.00 C ATOM 1751 C ASP A 108 22.578 7.399 -15.625 1.00 0.00 C ATOM 1752 O ASP A 108 23.117 6.365 -16.015 1.00 0.00 O ATOM 1753 CB ASP A 108 20.604 7.140 -14.154 1.00 0.00 C ATOM 1754 CG ASP A 108 20.189 8.324 -13.279 1.00 0.00 C ATOM 1755 OD1 ASP A 108 21.015 9.181 -12.930 1.00 0.00 O ATOM 1756 OD2 ASP A 108 18.942 8.348 -12.949 1.00 0.00 O ATOM 0 H ASP A 108 20.901 5.683 -16.589 1.00 0.00 H new ATOM 0 HA ASP A 108 20.722 8.519 -15.802 1.00 0.00 H new ATOM 0 HB2 ASP A 108 19.765 6.447 -14.223 1.00 0.00 H new ATOM 0 HB3 ASP A 108 21.416 6.608 -13.658 1.00 0.00 H new ATOM 1762 N ASP A 109 23.230 8.482 -15.229 1.00 0.00 N ATOM 1763 CA ASP A 109 24.682 8.524 -15.230 1.00 0.00 C ATOM 1764 C ASP A 109 25.193 8.370 -16.663 1.00 0.00 C ATOM 1765 O ASP A 109 25.413 7.253 -17.131 1.00 0.00 O ATOM 1766 CB ASP A 109 25.265 7.381 -14.395 1.00 0.00 C ATOM 1767 CG ASP A 109 26.789 7.394 -14.256 1.00 0.00 C ATOM 1768 OD1 ASP A 109 27.447 8.408 -14.532 1.00 0.00 O ATOM 1769 OD2 ASP A 109 27.307 6.288 -13.840 1.00 0.00 O ATOM 0 H ASP A 109 22.779 9.338 -14.905 1.00 0.00 H new ATOM 0 HA ASP A 109 24.992 9.478 -14.804 1.00 0.00 H new ATOM 0 HB2 ASP A 109 24.824 7.417 -13.399 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.964 6.434 -14.843 1.00 0.00 H new ATOM 1775 N ARG A 110 25.366 9.506 -17.322 1.00 0.00 N ATOM 1776 CA ARG A 110 25.847 9.512 -18.693 1.00 0.00 C ATOM 1777 C ARG A 110 26.945 10.562 -18.866 1.00 0.00 C ATOM 1778 O ARG A 110 26.982 11.553 -18.138 1.00 0.00 O ATOM 1779 CB ARG A 110 24.710 9.806 -19.674 1.00 0.00 C ATOM 1780 CG ARG A 110 24.013 11.123 -19.326 1.00 0.00 C ATOM 1781 CD ARG A 110 22.502 10.926 -19.192 1.00 0.00 C ATOM 1782 NE ARG A 110 21.881 12.140 -18.617 1.00 0.00 N ATOM 1783 CZ ARG A 110 21.723 13.299 -19.288 1.00 0.00 C ATOM 1784 NH1 ARG A 110 22.140 13.413 -20.567 1.00 0.00 N ATOM 1785 NH2 ARG A 110 21.156 14.322 -18.676 1.00 0.00 N ATOM 0 H ARG A 110 25.181 10.430 -16.931 1.00 0.00 H new ATOM 0 HA ARG A 110 26.250 8.522 -18.907 1.00 0.00 H new ATOM 0 HB2 ARG A 110 25.104 9.856 -20.689 1.00 0.00 H new ATOM 0 HB3 ARG A 110 23.987 8.991 -19.653 1.00 0.00 H new ATOM 0 HG2 ARG A 110 24.416 11.516 -18.393 1.00 0.00 H new ATOM 0 HG3 ARG A 110 24.220 11.863 -20.099 1.00 0.00 H new ATOM 0 HD2 ARG A 110 22.067 10.713 -20.168 1.00 0.00 H new ATOM 0 HD3 ARG A 110 22.294 10.066 -18.556 1.00 0.00 H new ATOM 0 HE ARG A 110 21.552 12.097 -17.653 1.00 0.00 H new ATOM 0 HH11 ARG A 110 22.578 12.619 -21.033 1.00 0.00 H new ATOM 0 HH12 ARG A 110 22.017 14.293 -21.067 1.00 0.00 H new ATOM 0 HH21 ARG A 110 20.845 14.229 -17.709 1.00 0.00 H new ATOM 0 HH22 ARG A 110 21.029 15.205 -19.170 1.00 0.00 H new ATOM 1798 N SER A 111 27.814 10.310 -19.835 1.00 0.00 N ATOM 1799 CA SER A 111 28.910 11.222 -20.112 1.00 0.00 C ATOM 1800 C SER A 111 28.362 12.599 -20.493 1.00 0.00 C ATOM 1801 O SER A 111 27.764 12.761 -21.556 1.00 0.00 O ATOM 1802 CB SER A 111 29.807 10.681 -21.227 1.00 0.00 C ATOM 1803 OG SER A 111 31.190 10.862 -20.935 1.00 0.00 O ATOM 0 H SER A 111 27.781 9.488 -20.437 1.00 0.00 H new ATOM 0 HA SER A 111 29.514 11.316 -19.209 1.00 0.00 H new ATOM 0 HB2 SER A 111 29.603 9.620 -21.374 1.00 0.00 H new ATOM 0 HB3 SER A 111 29.565 11.184 -22.163 1.00 0.00 H new ATOM 0 HG SER A 111 31.729 10.502 -21.670 1.00 0.00 H new ATOM 1809 N PRO A 112 28.592 13.581 -19.580 1.00 0.00 N ATOM 1810 CA PRO A 112 28.128 14.938 -19.809 1.00 0.00 C ATOM 1811 C PRO A 112 29.001 15.649 -20.845 1.00 0.00 C ATOM 1812 O PRO A 112 30.131 15.235 -21.098 1.00 0.00 O ATOM 1813 CB PRO A 112 28.166 15.604 -18.443 1.00 0.00 C ATOM 1814 CG PRO A 112 29.084 14.746 -17.587 1.00 0.00 C ATOM 1815 CD PRO A 112 29.295 13.425 -18.311 1.00 0.00 C ATOM 0 HA PRO A 112 27.122 14.973 -20.226 1.00 0.00 H new ATOM 0 HB2 PRO A 112 28.541 16.625 -18.516 1.00 0.00 H new ATOM 0 HB3 PRO A 112 27.168 15.662 -18.009 1.00 0.00 H new ATOM 0 HG2 PRO A 112 30.037 15.250 -17.426 1.00 0.00 H new ATOM 0 HG3 PRO A 112 28.643 14.577 -16.605 1.00 0.00 H new ATOM 0 HD2 PRO A 112 30.355 13.224 -18.468 1.00 0.00 H new ATOM 0 HD3 PRO A 112 28.894 12.590 -17.736 1.00 0.00 H new ATOM 1823 N GLY A 113 28.444 16.707 -21.416 1.00 0.00 N ATOM 1824 CA GLY A 113 29.158 17.479 -22.419 1.00 0.00 C ATOM 1825 C GLY A 113 28.191 18.065 -23.449 1.00 0.00 C ATOM 1826 O GLY A 113 27.657 17.342 -24.288 1.00 0.00 O ATOM 0 H GLY A 113 27.506 17.048 -21.203 1.00 0.00 H new ATOM 0 HA2 GLY A 113 29.713 18.284 -21.937 1.00 0.00 H new ATOM 0 HA3 GLY A 113 29.888 16.844 -22.920 1.00 0.00 H new ATOM 1830 N ILE A 114 27.996 19.373 -23.353 1.00 0.00 N ATOM 1831 CA ILE A 114 27.101 20.065 -24.266 1.00 0.00 C ATOM 1832 C ILE A 114 27.825 20.312 -25.591 1.00 0.00 C ATOM 1833 O ILE A 114 28.744 21.127 -25.658 1.00 0.00 O ATOM 1834 CB ILE A 114 26.554 21.338 -23.617 1.00 0.00 C ATOM 1835 CG1 ILE A 114 25.354 21.878 -24.398 1.00 0.00 C ATOM 1836 CG2 ILE A 114 27.654 22.388 -23.457 1.00 0.00 C ATOM 1837 CD1 ILE A 114 24.039 21.369 -23.804 1.00 0.00 C ATOM 0 H ILE A 114 28.442 19.971 -22.658 1.00 0.00 H new ATOM 0 HA ILE A 114 26.230 19.449 -24.488 1.00 0.00 H new ATOM 0 HB ILE A 114 26.201 21.088 -22.617 1.00 0.00 H new ATOM 0 HG12 ILE A 114 25.366 22.968 -24.383 1.00 0.00 H new ATOM 0 HG13 ILE A 114 25.428 21.573 -25.442 1.00 0.00 H new ATOM 0 HG21 ILE A 114 27.238 23.283 -22.993 1.00 0.00 H new ATOM 0 HG22 ILE A 114 28.449 21.989 -22.827 1.00 0.00 H new ATOM 0 HG23 ILE A 114 28.060 22.642 -24.436 1.00 0.00 H new ATOM 0 HD11 ILE A 114 23.202 21.768 -24.378 1.00 0.00 H new ATOM 0 HD12 ILE A 114 24.020 20.280 -23.843 1.00 0.00 H new ATOM 0 HD13 ILE A 114 23.957 21.696 -22.768 1.00 0.00 H new ATOM 1849 N HIS A 115 27.382 19.595 -26.614 1.00 0.00 N ATOM 1850 CA HIS A 115 27.976 19.726 -27.932 1.00 0.00 C ATOM 1851 C HIS A 115 27.624 21.093 -28.521 1.00 0.00 C ATOM 1852 O HIS A 115 26.628 21.231 -29.228 1.00 0.00 O ATOM 1853 CB HIS A 115 27.554 18.565 -28.835 1.00 0.00 C ATOM 1854 CG HIS A 115 28.673 17.608 -29.170 1.00 0.00 C ATOM 1855 ND1 HIS A 115 29.640 17.887 -30.120 1.00 0.00 N ATOM 1856 CD2 HIS A 115 28.969 16.373 -28.671 1.00 0.00 C ATOM 1857 CE1 HIS A 115 30.474 16.861 -30.182 1.00 0.00 C ATOM 1858 NE2 HIS A 115 30.057 15.923 -29.284 1.00 0.00 N ATOM 0 H HIS A 115 26.618 18.921 -26.555 1.00 0.00 H new ATOM 0 HA HIS A 115 29.062 19.673 -27.852 1.00 0.00 H new ATOM 0 HB2 HIS A 115 26.751 18.012 -28.347 1.00 0.00 H new ATOM 0 HB3 HIS A 115 27.146 18.969 -29.761 1.00 0.00 H new ATOM 0 HD2 HIS A 115 28.413 15.850 -27.907 1.00 0.00 H new ATOM 0 HE1 HIS A 115 31.334 16.781 -30.830 1.00 0.00 H new ATOM 0 HE2 HIS A 115 30.507 15.024 -29.112 1.00 0.00 H new ATOM 1866 N ARG A 116 28.463 22.069 -28.207 1.00 0.00 N ATOM 1867 CA ARG A 116 28.254 23.422 -28.695 1.00 0.00 C ATOM 1868 C ARG A 116 29.127 23.684 -29.924 1.00 0.00 C ATOM 1869 O ARG A 116 30.248 23.185 -30.010 1.00 0.00 O ATOM 1870 CB ARG A 116 28.581 24.455 -27.615 1.00 0.00 C ATOM 1871 CG ARG A 116 29.976 24.218 -27.035 1.00 0.00 C ATOM 1872 CD ARG A 116 30.772 25.523 -26.969 1.00 0.00 C ATOM 1873 NE ARG A 116 30.401 26.280 -25.752 1.00 0.00 N ATOM 1874 CZ ARG A 116 31.132 27.293 -25.240 1.00 0.00 C ATOM 1875 NH1 ARG A 116 32.281 27.680 -25.835 1.00 0.00 N ATOM 1876 NH2 ARG A 116 30.707 27.900 -24.147 1.00 0.00 N ATOM 0 H ARG A 116 29.289 21.950 -27.621 1.00 0.00 H new ATOM 0 HA ARG A 116 27.202 23.518 -28.965 1.00 0.00 H new ATOM 0 HB2 ARG A 116 28.524 25.458 -28.037 1.00 0.00 H new ATOM 0 HB3 ARG A 116 27.838 24.402 -26.819 1.00 0.00 H new ATOM 0 HG2 ARG A 116 29.890 23.789 -26.037 1.00 0.00 H new ATOM 0 HG3 ARG A 116 30.510 23.493 -27.649 1.00 0.00 H new ATOM 0 HD2 ARG A 116 31.840 25.307 -26.962 1.00 0.00 H new ATOM 0 HD3 ARG A 116 30.574 26.125 -27.856 1.00 0.00 H new ATOM 0 HE ARG A 116 29.540 26.020 -25.271 1.00 0.00 H new ATOM 0 HH11 ARG A 116 32.603 27.206 -26.679 1.00 0.00 H new ATOM 0 HH12 ARG A 116 32.826 28.446 -25.441 1.00 0.00 H new ATOM 0 HH21 ARG A 116 29.839 27.602 -23.703 1.00 0.00 H new ATOM 0 HH22 ARG A 116 31.247 28.667 -23.747 1.00 0.00 H new ATOM 1889 N ASP A 117 28.581 24.466 -30.843 1.00 0.00 N ATOM 1890 CA ASP A 117 29.297 24.801 -32.062 1.00 0.00 C ATOM 1891 C ASP A 117 30.497 25.685 -31.718 1.00 0.00 C ATOM 1892 O ASP A 117 30.451 26.452 -30.757 1.00 0.00 O ATOM 1893 CB ASP A 117 28.402 25.576 -33.032 1.00 0.00 C ATOM 1894 CG ASP A 117 29.075 25.993 -34.341 1.00 0.00 C ATOM 1895 OD1 ASP A 117 29.374 27.176 -34.557 1.00 0.00 O ATOM 1896 OD2 ASP A 117 29.295 25.030 -35.171 1.00 0.00 O ATOM 0 H ASP A 117 27.651 24.878 -30.768 1.00 0.00 H new ATOM 0 HA ASP A 117 29.616 23.870 -32.531 1.00 0.00 H new ATOM 0 HB2 ASP A 117 27.532 24.964 -33.268 1.00 0.00 H new ATOM 0 HB3 ASP A 117 28.035 26.471 -32.529 1.00 0.00 H new TER 1902 ASP A 117