USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 729 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 33 ALY H2 : A 33 ALY N : A 32 PHE C :(H bumps) USER MOD NoAdj-H: A 33 ALY H : A 33 ALY N : A 32 PHE C :(H bumps) USER MOD Set 1.1: A 88 GLN : amide:sc= -2.16 K(o=-2.5,f=-0.56) USER MOD Set 1.2: A 90 GLN : amide:sc= -0.287 X(o=-2.5,f=-2.9) USER MOD Set 2.1: A 72 THR OG1 : rot 173:sc= 0.383 USER MOD Set 2.2: A 75 GLN : amide:sc= -0.514 X(o=-0.13,f=-0.25) USER MOD Set 3.1: A 54 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 57 GLN : amide:sc= -5.41! C(o=-5.4!,f=-5.6!) USER MOD Set 4.1: A 48 CYS SG : rot 2:sc= 0.407 USER MOD Set 4.2: A 55 MET CE :methyl -113:sc= -1.5 (180deg=-2.57!) USER MOD Set 5.1: A 35 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.104) USER MOD Set 5.2: A 38 THR OG1 : rot -160:sc= -0.83 USER MOD Single : A 1 MET CE :methyl 138:sc= -0.188 (180deg=-0.895) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.233 (180deg=-0.249) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 145:sc= 1.1 (180deg=-1.08!) USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= -0.0352 (180deg=-0.294) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.274 USER MOD Single : A 14 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.13) USER MOD Single : A 15 ASN : amide:sc= -0.318 K(o=-0.32,f=-4.1!) USER MOD Single : A 17 HIS : no HE2:sc= 1.02 K(o=1,f=-3.4!) USER MOD Single : A 19 ASN : amide:sc= -0.568 K(o=-0.57,f=-2.5!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -2.25 K(o=-2.3,f=-0.081) USER MOD Single : A 28 SER OG : rot 86:sc= 1.26 USER MOD Single : A 31 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.11) USER MOD Single : A 37 HIS : no HD1:sc= 0.487 K(o=0.49,f=-2.9!) USER MOD Single : A 41 SER OG : rot -170:sc= 1.32 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 169:sc= -1.31 (180deg=-1.51) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.19 USER MOD Single : A 51 GLN : amide:sc= -4.3! C(o=-4.3!,f=-3.3!) USER MOD Single : A 65 GLN : amide:sc= -1.87! K(o=-1.9!,f=-0.43) USER MOD Single : A 68 ASN : amide:sc= -0.245 X(o=-0.24,f=-0.0084) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0229 USER MOD Single : A 78 MET CE :methyl -112:sc= -2.07! (180deg=-3.19) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.548 K(o=0.55,f=-0.8) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0156 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.721 22.466 -7.133 1.00 0.00 N ATOM 2 CA MET A 1 24.217 23.497 -8.062 1.00 0.00 C ATOM 3 C MET A 1 22.709 23.389 -8.221 1.00 0.00 C ATOM 4 O MET A 1 22.086 24.205 -8.896 1.00 0.00 O ATOM 5 CB MET A 1 24.902 23.378 -9.428 1.00 0.00 C ATOM 6 CG MET A 1 24.575 22.096 -10.177 1.00 0.00 C ATOM 7 SD MET A 1 25.483 21.943 -11.730 1.00 0.00 S ATOM 8 CE MET A 1 27.173 21.926 -11.131 1.00 0.00 C ATOM 0 H1 MET A 1 25.755 22.547 -7.052 1.00 0.00 H new ATOM 0 H2 MET A 1 24.289 22.601 -6.197 1.00 0.00 H new ATOM 0 H3 MET A 1 24.475 21.523 -7.495 1.00 0.00 H new ATOM 0 HA MET A 1 24.452 24.474 -7.639 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.612 24.230 -10.043 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.981 23.439 -9.288 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.804 21.241 -9.541 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.505 22.063 -10.382 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.744 21.173 -11.674 1.00 0.00 H new ATOM 0 HE2 MET A 1 27.624 22.906 -11.287 1.00 0.00 H new ATOM 0 HE3 MET A 1 27.180 21.689 -10.067 1.00 0.00 H new ATOM 18 N ALA A 2 22.125 22.364 -7.592 1.00 0.00 N ATOM 19 CA ALA A 2 20.683 22.132 -7.619 1.00 0.00 C ATOM 20 C ALA A 2 20.140 22.022 -9.045 1.00 0.00 C ATOM 21 O ALA A 2 19.360 22.861 -9.499 1.00 0.00 O ATOM 22 CB ALA A 2 19.950 23.218 -6.840 1.00 0.00 C ATOM 0 H ALA A 2 22.643 21.672 -7.050 1.00 0.00 H new ATOM 0 HA ALA A 2 20.501 21.172 -7.136 1.00 0.00 H new ATOM 0 HB1 ALA A 2 18.877 23.028 -6.872 1.00 0.00 H new ATOM 0 HB2 ALA A 2 20.289 23.214 -5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 2 20.159 24.190 -7.286 1.00 0.00 H new ATOM 28 N ASP A 3 20.554 20.991 -9.757 1.00 0.00 N ATOM 29 CA ASP A 3 20.071 20.761 -11.107 1.00 0.00 C ATOM 30 C ASP A 3 18.999 19.689 -11.074 1.00 0.00 C ATOM 31 O ASP A 3 18.345 19.396 -12.072 1.00 0.00 O ATOM 32 CB ASP A 3 21.215 20.356 -12.050 1.00 0.00 C ATOM 33 CG ASP A 3 21.750 18.962 -11.795 1.00 0.00 C ATOM 34 OD1 ASP A 3 22.454 18.765 -10.787 1.00 0.00 O ATOM 35 OD2 ASP A 3 21.490 18.053 -12.622 1.00 0.00 O ATOM 0 H ASP A 3 21.224 20.298 -9.423 1.00 0.00 H new ATOM 0 HA ASP A 3 19.648 21.689 -11.493 1.00 0.00 H new ATOM 0 HB2 ASP A 3 20.864 20.418 -13.080 1.00 0.00 H new ATOM 0 HB3 ASP A 3 22.030 21.073 -11.947 1.00 0.00 H new ATOM 40 N GLU A 4 18.809 19.120 -9.895 1.00 0.00 N ATOM 41 CA GLU A 4 17.806 18.097 -9.666 1.00 0.00 C ATOM 42 C GLU A 4 16.690 18.688 -8.813 1.00 0.00 C ATOM 43 O GLU A 4 16.022 17.987 -8.048 1.00 0.00 O ATOM 44 CB GLU A 4 18.421 16.889 -8.932 1.00 0.00 C ATOM 45 CG GLU A 4 19.938 16.765 -9.057 1.00 0.00 C ATOM 46 CD GLU A 4 20.684 17.548 -7.987 1.00 0.00 C ATOM 47 OE1 GLU A 4 20.966 18.744 -8.194 1.00 0.00 O ATOM 48 OE2 GLU A 4 21.005 16.959 -6.934 1.00 0.00 O ATOM 0 H GLU A 4 19.351 19.358 -9.065 1.00 0.00 H new ATOM 0 HA GLU A 4 17.415 17.759 -10.626 1.00 0.00 H new ATOM 0 HB2 GLU A 4 18.162 16.954 -7.875 1.00 0.00 H new ATOM 0 HB3 GLU A 4 17.964 15.977 -9.316 1.00 0.00 H new ATOM 0 HG2 GLU A 4 20.218 15.714 -8.993 1.00 0.00 H new ATOM 0 HG3 GLU A 4 20.247 17.118 -10.041 1.00 0.00 H new ATOM 55 N LYS A 5 16.463 19.977 -8.976 1.00 0.00 N ATOM 56 CA LYS A 5 15.506 20.702 -8.166 1.00 0.00 C ATOM 57 C LYS A 5 14.233 20.955 -8.968 1.00 0.00 C ATOM 58 O LYS A 5 14.294 21.457 -10.095 1.00 0.00 O ATOM 59 CB LYS A 5 16.121 22.040 -7.725 1.00 0.00 C ATOM 60 CG LYS A 5 15.303 22.809 -6.695 1.00 0.00 C ATOM 61 CD LYS A 5 15.365 22.143 -5.331 1.00 0.00 C ATOM 62 CE LYS A 5 14.531 22.888 -4.302 1.00 0.00 C ATOM 63 NZ LYS A 5 14.613 22.252 -2.963 1.00 0.00 N ATOM 0 H LYS A 5 16.937 20.550 -9.674 1.00 0.00 H new ATOM 0 HA LYS A 5 15.256 20.111 -7.285 1.00 0.00 H new ATOM 0 HB2 LYS A 5 17.112 21.850 -7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.256 22.669 -8.605 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.676 23.830 -6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.266 22.872 -7.025 1.00 0.00 H new ATOM 0 HD2 LYS A 5 15.010 21.115 -5.412 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.401 22.097 -4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.873 23.921 -4.236 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.491 22.917 -4.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.031 22.788 -2.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.263 21.274 -3.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.602 22.247 -2.641 1.00 0.00 H new ATOM 77 N PRO A 6 13.066 20.592 -8.417 1.00 0.00 N ATOM 78 CA PRO A 6 11.790 20.821 -9.082 1.00 0.00 C ATOM 79 C PRO A 6 11.329 22.273 -8.939 1.00 0.00 C ATOM 80 O PRO A 6 12.092 23.146 -8.516 1.00 0.00 O ATOM 81 CB PRO A 6 10.845 19.883 -8.338 1.00 0.00 C ATOM 82 CG PRO A 6 11.398 19.818 -6.962 1.00 0.00 C ATOM 83 CD PRO A 6 12.895 19.924 -7.110 1.00 0.00 C ATOM 0 HA PRO A 6 11.837 20.638 -10.156 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.824 20.265 -8.338 1.00 0.00 H new ATOM 0 HB3 PRO A 6 10.817 18.897 -8.802 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.008 20.629 -6.346 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.119 18.884 -6.473 1.00 0.00 H new ATOM 0 HD2 PRO A 6 13.338 20.505 -6.301 1.00 0.00 H new ATOM 0 HD3 PRO A 6 13.370 18.943 -7.095 1.00 0.00 H new ATOM 91 N LYS A 7 10.081 22.530 -9.268 1.00 0.00 N ATOM 92 CA LYS A 7 9.522 23.870 -9.189 1.00 0.00 C ATOM 93 C LYS A 7 8.329 23.874 -8.264 1.00 0.00 C ATOM 94 O LYS A 7 7.650 24.885 -8.088 1.00 0.00 O ATOM 95 CB LYS A 7 9.127 24.373 -10.590 1.00 0.00 C ATOM 96 CG LYS A 7 8.544 23.298 -11.500 1.00 0.00 C ATOM 97 CD LYS A 7 7.140 22.893 -11.105 1.00 0.00 C ATOM 98 CE LYS A 7 6.631 21.762 -11.991 1.00 0.00 C ATOM 99 NZ LYS A 7 7.566 20.604 -12.008 1.00 0.00 N ATOM 0 H LYS A 7 9.425 21.822 -9.597 1.00 0.00 H new ATOM 0 HA LYS A 7 10.278 24.546 -8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.398 25.176 -10.483 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.006 24.802 -11.071 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.537 23.663 -12.527 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.190 22.420 -11.478 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.128 22.577 -10.062 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.473 23.752 -11.185 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.654 21.434 -11.635 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.493 22.131 -13.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.022 19.720 -12.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.199 20.681 -12.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.131 20.601 -11.135 1.00 0.00 H new ATOM 113 N GLU A 8 8.080 22.729 -7.659 1.00 0.00 N ATOM 114 CA GLU A 8 6.959 22.557 -6.759 1.00 0.00 C ATOM 115 C GLU A 8 7.351 22.914 -5.339 1.00 0.00 C ATOM 116 O GLU A 8 6.692 22.528 -4.373 1.00 0.00 O ATOM 117 CB GLU A 8 6.434 21.118 -6.816 1.00 0.00 C ATOM 118 CG GLU A 8 6.030 20.636 -8.201 1.00 0.00 C ATOM 119 CD GLU A 8 7.151 19.906 -8.920 1.00 0.00 C ATOM 120 OE1 GLU A 8 8.095 20.566 -9.390 1.00 0.00 O ATOM 121 OE2 GLU A 8 7.080 18.669 -9.029 1.00 0.00 O ATOM 0 H GLU A 8 8.650 21.892 -7.778 1.00 0.00 H new ATOM 0 HA GLU A 8 6.164 23.230 -7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.203 20.451 -6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.573 21.035 -6.153 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.169 19.974 -8.113 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.715 21.490 -8.801 1.00 0.00 H new ATOM 128 N GLY A 9 8.414 23.666 -5.215 1.00 0.00 N ATOM 129 CA GLY A 9 8.891 24.076 -3.914 1.00 0.00 C ATOM 130 C GLY A 9 8.156 25.291 -3.403 1.00 0.00 C ATOM 131 O GLY A 9 8.752 26.351 -3.190 1.00 0.00 O ATOM 0 H GLY A 9 8.969 24.009 -5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.770 23.255 -3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.958 24.294 -3.970 1.00 0.00 H new ATOM 135 N VAL A 10 6.858 25.152 -3.221 1.00 0.00 N ATOM 136 CA VAL A 10 6.025 26.235 -2.739 1.00 0.00 C ATOM 137 C VAL A 10 5.432 25.873 -1.385 1.00 0.00 C ATOM 138 O VAL A 10 4.837 24.806 -1.221 1.00 0.00 O ATOM 139 CB VAL A 10 4.879 26.557 -3.731 1.00 0.00 C ATOM 140 CG1 VAL A 10 4.082 27.769 -3.262 1.00 0.00 C ATOM 141 CG2 VAL A 10 5.428 26.786 -5.133 1.00 0.00 C ATOM 0 H VAL A 10 6.351 24.286 -3.403 1.00 0.00 H new ATOM 0 HA VAL A 10 6.655 27.119 -2.644 1.00 0.00 H new ATOM 0 HB VAL A 10 4.207 25.699 -3.763 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.283 27.977 -3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.651 27.564 -2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.741 28.634 -3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.606 27.011 -5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.126 27.623 -5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.945 25.888 -5.472 1.00 0.00 H new ATOM 151 N LYS A 11 5.629 26.742 -0.406 1.00 0.00 N ATOM 152 CA LYS A 11 5.110 26.530 0.937 1.00 0.00 C ATOM 153 C LYS A 11 3.579 26.391 0.949 1.00 0.00 C ATOM 154 O LYS A 11 2.839 27.380 0.929 1.00 0.00 O ATOM 155 CB LYS A 11 5.556 27.661 1.868 1.00 0.00 C ATOM 156 CG LYS A 11 5.068 27.515 3.303 1.00 0.00 C ATOM 157 CD LYS A 11 5.646 26.279 3.976 1.00 0.00 C ATOM 158 CE LYS A 11 5.081 26.096 5.378 1.00 0.00 C ATOM 159 NZ LYS A 11 5.309 27.291 6.229 1.00 0.00 N ATOM 0 H LYS A 11 6.151 27.611 -0.519 1.00 0.00 H new ATOM 0 HA LYS A 11 5.522 25.589 1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.645 27.708 1.869 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.197 28.609 1.468 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.346 28.402 3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.980 27.458 3.312 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.424 25.398 3.374 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.731 26.365 4.028 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.012 25.895 5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.542 25.225 5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.081 27.062 7.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.306 27.580 6.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.700 28.069 5.905 1.00 0.00 H new ATOM 173 N THR A 12 3.121 25.162 0.974 1.00 0.00 N ATOM 174 CA THR A 12 1.710 24.861 1.027 1.00 0.00 C ATOM 175 C THR A 12 1.332 24.472 2.467 1.00 0.00 C ATOM 176 O THR A 12 2.099 24.732 3.404 1.00 0.00 O ATOM 177 CB THR A 12 1.348 23.720 0.027 1.00 0.00 C ATOM 178 OG1 THR A 12 -0.073 23.518 -0.015 1.00 0.00 O ATOM 179 CG2 THR A 12 2.041 22.413 0.403 1.00 0.00 C ATOM 0 H THR A 12 3.721 24.337 0.958 1.00 0.00 H new ATOM 0 HA THR A 12 1.142 25.744 0.734 1.00 0.00 H new ATOM 0 HB THR A 12 1.697 24.025 -0.960 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.283 22.800 -0.648 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.768 21.638 -0.313 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.121 22.557 0.389 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.729 22.110 1.402 1.00 0.00 H new ATOM 187 N GLU A 13 0.168 23.880 2.654 1.00 0.00 N ATOM 188 CA GLU A 13 -0.265 23.468 3.979 1.00 0.00 C ATOM 189 C GLU A 13 0.130 22.016 4.243 1.00 0.00 C ATOM 190 O GLU A 13 0.934 21.433 3.522 1.00 0.00 O ATOM 191 CB GLU A 13 -1.778 23.638 4.149 1.00 0.00 C ATOM 192 CG GLU A 13 -2.266 25.069 4.020 1.00 0.00 C ATOM 193 CD GLU A 13 -3.667 25.245 4.572 1.00 0.00 C ATOM 194 OE1 GLU A 13 -4.631 24.804 3.917 1.00 0.00 O ATOM 195 OE2 GLU A 13 -3.804 25.821 5.681 1.00 0.00 O ATOM 0 H GLU A 13 -0.495 23.673 1.907 1.00 0.00 H new ATOM 0 HA GLU A 13 0.233 24.111 4.705 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.286 23.025 3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.067 23.255 5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.582 25.734 4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.250 25.364 2.971 1.00 0.00 H new ATOM 202 N ASN A 14 -0.452 21.427 5.275 1.00 0.00 N ATOM 203 CA ASN A 14 -0.160 20.048 5.647 1.00 0.00 C ATOM 204 C ASN A 14 -1.196 19.102 5.047 1.00 0.00 C ATOM 205 O ASN A 14 -1.333 17.955 5.460 1.00 0.00 O ATOM 206 CB ASN A 14 -0.122 19.904 7.179 1.00 0.00 C ATOM 207 CG ASN A 14 -1.407 20.369 7.860 1.00 0.00 C ATOM 208 OD1 ASN A 14 -2.330 19.588 8.074 1.00 0.00 O ATOM 209 ND2 ASN A 14 -1.463 21.642 8.215 1.00 0.00 N ATOM 0 H ASN A 14 -1.136 21.886 5.876 1.00 0.00 H new ATOM 0 HA ASN A 14 0.819 19.782 5.249 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.060 18.860 7.435 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.717 20.479 7.571 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.293 22.005 8.683 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.676 22.261 8.020 1.00 0.00 H new ATOM 216 N ASN A 15 -1.904 19.585 4.046 1.00 0.00 N ATOM 217 CA ASN A 15 -2.940 18.814 3.368 1.00 0.00 C ATOM 218 C ASN A 15 -2.506 18.476 1.945 1.00 0.00 C ATOM 219 O ASN A 15 -3.328 18.309 1.041 1.00 0.00 O ATOM 220 CB ASN A 15 -4.261 19.602 3.361 1.00 0.00 C ATOM 221 CG ASN A 15 -4.094 21.048 2.910 1.00 0.00 C ATOM 222 OD1 ASN A 15 -3.247 21.365 2.079 1.00 0.00 O ATOM 223 ND2 ASN A 15 -4.889 21.935 3.476 1.00 0.00 N ATOM 0 H ASN A 15 -1.780 20.527 3.674 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.095 17.879 3.907 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.971 19.102 2.702 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.691 19.588 4.363 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.812 22.921 3.227 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.581 21.635 4.162 1.00 0.00 H new ATOM 230 N ASP A 16 -1.200 18.348 1.760 1.00 0.00 N ATOM 231 CA ASP A 16 -0.610 18.049 0.453 1.00 0.00 C ATOM 232 C ASP A 16 -0.546 16.552 0.224 1.00 0.00 C ATOM 233 O ASP A 16 -0.205 16.074 -0.864 1.00 0.00 O ATOM 234 CB ASP A 16 0.811 18.608 0.391 1.00 0.00 C ATOM 235 CG ASP A 16 1.793 17.746 1.176 1.00 0.00 C ATOM 236 OD1 ASP A 16 1.604 17.575 2.414 1.00 0.00 O ATOM 237 OD2 ASP A 16 2.740 17.208 0.559 1.00 0.00 O ATOM 0 H ASP A 16 -0.515 18.448 2.509 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.234 18.507 -0.315 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.132 18.670 -0.649 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.820 19.623 0.788 1.00 0.00 H new ATOM 242 N HIS A 17 -0.868 15.812 1.242 1.00 0.00 N ATOM 243 CA HIS A 17 -0.764 14.372 1.196 1.00 0.00 C ATOM 244 C HIS A 17 -2.080 13.709 1.537 1.00 0.00 C ATOM 245 O HIS A 17 -2.943 14.303 2.179 1.00 0.00 O ATOM 246 CB HIS A 17 0.355 13.883 2.127 1.00 0.00 C ATOM 247 CG HIS A 17 0.213 14.319 3.551 1.00 0.00 C ATOM 248 ND1 HIS A 17 0.760 15.486 4.035 1.00 0.00 N ATOM 249 CD2 HIS A 17 -0.406 13.727 4.601 1.00 0.00 C ATOM 250 CE1 HIS A 17 0.490 15.593 5.320 1.00 0.00 C ATOM 251 NE2 HIS A 17 -0.219 14.540 5.689 1.00 0.00 N ATOM 0 H HIS A 17 -1.210 16.182 2.129 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.512 14.088 0.174 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.387 12.794 2.095 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.311 14.241 1.744 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.291 16.162 3.485 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -0.945 12.791 4.584 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.796 16.404 5.964 1.00 0.00 H new ATOM 260 N ILE A 18 -2.223 12.468 1.127 1.00 0.00 N ATOM 261 CA ILE A 18 -3.447 11.725 1.338 1.00 0.00 C ATOM 262 C ILE A 18 -3.156 10.360 1.945 1.00 0.00 C ATOM 263 O ILE A 18 -2.000 9.942 2.055 1.00 0.00 O ATOM 264 CB ILE A 18 -4.246 11.537 0.019 1.00 0.00 C ATOM 265 CG1 ILE A 18 -3.358 10.909 -1.063 1.00 0.00 C ATOM 266 CG2 ILE A 18 -4.819 12.866 -0.459 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.114 10.488 -2.310 1.00 0.00 C ATOM 0 H ILE A 18 -1.496 11.946 0.639 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.053 12.310 2.029 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.078 10.860 0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.583 11.623 -1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.853 10.038 -0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.375 12.711 -1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.487 13.269 0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.006 13.570 -0.638 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.418 10.053 -3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.871 9.749 -2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.597 11.359 -2.754 1.00 0.00 H new ATOM 279 N ASN A 19 -4.200 9.676 2.351 1.00 0.00 N ATOM 280 CA ASN A 19 -4.082 8.346 2.924 1.00 0.00 C ATOM 281 C ASN A 19 -4.538 7.318 1.914 1.00 0.00 C ATOM 282 O ASN A 19 -5.530 7.515 1.233 1.00 0.00 O ATOM 283 CB ASN A 19 -4.929 8.249 4.206 1.00 0.00 C ATOM 284 CG ASN A 19 -4.942 6.858 4.823 1.00 0.00 C ATOM 285 OD1 ASN A 19 -5.780 6.029 4.488 1.00 0.00 O ATOM 286 ND2 ASN A 19 -4.021 6.602 5.734 1.00 0.00 N ATOM 0 H ASN A 19 -5.158 10.022 2.295 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.040 8.154 3.181 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.546 8.959 4.939 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.953 8.546 3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.990 5.688 6.185 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.340 7.318 5.986 1.00 0.00 H new ATOM 293 N LEU A 20 -3.804 6.243 1.783 1.00 0.00 N ATOM 294 CA LEU A 20 -4.180 5.181 0.868 1.00 0.00 C ATOM 295 C LEU A 20 -4.179 3.862 1.588 1.00 0.00 C ATOM 296 O LEU A 20 -3.282 3.572 2.378 1.00 0.00 O ATOM 297 CB LEU A 20 -3.244 5.108 -0.357 1.00 0.00 C ATOM 298 CG LEU A 20 -3.366 6.238 -1.394 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.823 6.501 -1.744 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.684 7.498 -0.906 1.00 0.00 C ATOM 0 H LEU A 20 -2.939 6.074 2.297 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.182 5.405 0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.215 5.087 0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.423 4.160 -0.865 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.858 5.917 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.881 7.304 -2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.266 5.596 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.366 6.792 -0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.785 8.281 -1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.148 7.826 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.627 7.296 -0.733 1.00 0.00 H new ATOM 312 N LYS A 21 -5.188 3.065 1.343 1.00 0.00 N ATOM 313 CA LYS A 21 -5.295 1.775 1.965 1.00 0.00 C ATOM 314 C LYS A 21 -5.327 0.698 0.911 1.00 0.00 C ATOM 315 O LYS A 21 -5.844 0.897 -0.175 1.00 0.00 O ATOM 316 CB LYS A 21 -6.540 1.709 2.841 1.00 0.00 C ATOM 317 CG LYS A 21 -6.573 2.783 3.917 1.00 0.00 C ATOM 318 CD LYS A 21 -7.770 2.614 4.845 1.00 0.00 C ATOM 319 CE LYS A 21 -9.085 2.836 4.113 1.00 0.00 C ATOM 320 NZ LYS A 21 -10.257 2.563 4.979 1.00 0.00 N ATOM 0 H LYS A 21 -5.954 3.293 0.709 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.424 1.615 2.601 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.425 1.807 2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.592 0.728 3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.652 2.743 4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.612 3.766 3.449 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.758 1.613 5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.691 3.318 5.673 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.131 3.864 3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.125 2.191 3.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.132 2.727 4.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.228 1.574 5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.234 3.196 5.804 1.00 0.00 H new ATOM 334 N VAL A 22 -4.769 -0.434 1.218 1.00 0.00 N ATOM 335 CA VAL A 22 -4.703 -1.531 0.279 1.00 0.00 C ATOM 336 C VAL A 22 -5.322 -2.791 0.873 1.00 0.00 C ATOM 337 O VAL A 22 -5.034 -3.153 2.009 1.00 0.00 O ATOM 338 CB VAL A 22 -3.239 -1.802 -0.131 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.375 -1.979 1.079 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.136 -3.002 -1.044 1.00 0.00 C ATOM 0 H VAL A 22 -4.344 -0.631 2.124 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.272 -1.252 -0.608 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.882 -0.933 -0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.348 -2.169 0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.409 -1.074 1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.738 -2.823 1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.093 -3.165 -1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.520 -3.884 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.721 -2.824 -1.947 1.00 0.00 H new ATOM 350 N ALA A 23 -6.175 -3.451 0.109 1.00 0.00 N ATOM 351 CA ALA A 23 -6.831 -4.660 0.556 1.00 0.00 C ATOM 352 C ALA A 23 -6.467 -5.827 -0.352 1.00 0.00 C ATOM 353 O ALA A 23 -6.585 -5.745 -1.579 1.00 0.00 O ATOM 354 CB ALA A 23 -8.341 -4.465 0.584 1.00 0.00 C ATOM 0 H ALA A 23 -6.430 -3.162 -0.836 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.490 -4.885 1.567 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.820 -5.384 0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.590 -3.653 1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.695 -4.219 -0.417 1.00 0.00 H new ATOM 360 N GLY A 24 -6.011 -6.900 0.241 1.00 0.00 N ATOM 361 CA GLY A 24 -5.641 -8.060 -0.514 1.00 0.00 C ATOM 362 C GLY A 24 -6.684 -9.139 -0.433 1.00 0.00 C ATOM 363 O GLY A 24 -7.369 -9.272 0.584 1.00 0.00 O ATOM 0 H GLY A 24 -5.888 -6.991 1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.488 -7.781 -1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.691 -8.445 -0.145 1.00 0.00 H new ATOM 367 N GLN A 25 -6.825 -9.904 -1.510 1.00 0.00 N ATOM 368 CA GLN A 25 -7.767 -11.032 -1.581 1.00 0.00 C ATOM 369 C GLN A 25 -7.624 -12.021 -0.413 1.00 0.00 C ATOM 370 O GLN A 25 -8.569 -12.732 -0.070 1.00 0.00 O ATOM 371 CB GLN A 25 -7.625 -11.773 -2.924 1.00 0.00 C ATOM 372 CG GLN A 25 -6.206 -11.792 -3.516 1.00 0.00 C ATOM 373 CD GLN A 25 -5.156 -12.432 -2.615 1.00 0.00 C ATOM 374 OE1 GLN A 25 -4.957 -13.640 -2.637 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.450 -11.610 -1.852 1.00 0.00 N ATOM 0 H GLN A 25 -6.289 -9.764 -2.367 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.765 -10.600 -1.504 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.959 -12.802 -2.790 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.297 -11.312 -3.648 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.228 -12.328 -4.465 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.903 -10.768 -3.736 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.647 -10.609 -1.862 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.710 -11.978 -1.255 1.00 0.00 H new ATOM 384 N ASP A 26 -6.449 -12.068 0.197 1.00 0.00 N ATOM 385 CA ASP A 26 -6.196 -12.966 1.314 1.00 0.00 C ATOM 386 C ASP A 26 -6.863 -12.451 2.581 1.00 0.00 C ATOM 387 O ASP A 26 -7.049 -13.187 3.547 1.00 0.00 O ATOM 388 CB ASP A 26 -4.688 -13.151 1.525 1.00 0.00 C ATOM 389 CG ASP A 26 -3.974 -11.853 1.821 1.00 0.00 C ATOM 390 OD1 ASP A 26 -3.934 -10.980 0.927 1.00 0.00 O ATOM 391 OD2 ASP A 26 -3.447 -11.708 2.939 1.00 0.00 O ATOM 0 H ASP A 26 -5.650 -11.490 -0.065 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.628 -13.938 1.078 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.524 -13.846 2.348 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.254 -13.604 0.634 1.00 0.00 H new ATOM 396 N GLY A 27 -7.207 -11.179 2.578 1.00 0.00 N ATOM 397 CA GLY A 27 -7.924 -10.599 3.687 1.00 0.00 C ATOM 398 C GLY A 27 -7.048 -9.719 4.526 1.00 0.00 C ATOM 399 O GLY A 27 -7.280 -9.551 5.721 1.00 0.00 O ATOM 0 H GLY A 27 -7.000 -10.530 1.819 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.766 -10.018 3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.338 -11.395 4.307 1.00 0.00 H new ATOM 403 N SER A 28 -6.031 -9.157 3.910 1.00 0.00 N ATOM 404 CA SER A 28 -5.111 -8.275 4.588 1.00 0.00 C ATOM 405 C SER A 28 -5.272 -6.841 4.081 1.00 0.00 C ATOM 406 O SER A 28 -5.611 -6.621 2.920 1.00 0.00 O ATOM 407 CB SER A 28 -3.688 -8.758 4.353 1.00 0.00 C ATOM 408 OG SER A 28 -3.497 -10.053 4.903 1.00 0.00 O ATOM 0 H SER A 28 -5.820 -9.300 2.922 1.00 0.00 H new ATOM 0 HA SER A 28 -5.327 -8.285 5.656 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.478 -8.778 3.284 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.983 -8.059 4.803 1.00 0.00 H new ATOM 0 HG SER A 28 -3.771 -10.730 4.249 1.00 0.00 H new ATOM 414 N VAL A 29 -5.052 -5.862 4.950 1.00 0.00 N ATOM 415 CA VAL A 29 -5.177 -4.459 4.568 1.00 0.00 C ATOM 416 C VAL A 29 -4.164 -3.581 5.304 1.00 0.00 C ATOM 417 O VAL A 29 -3.996 -3.683 6.522 1.00 0.00 O ATOM 418 CB VAL A 29 -6.626 -3.931 4.799 1.00 0.00 C ATOM 419 CG1 VAL A 29 -7.129 -4.306 6.176 1.00 0.00 C ATOM 420 CG2 VAL A 29 -6.711 -2.421 4.587 1.00 0.00 C ATOM 0 H VAL A 29 -4.786 -6.012 5.923 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.960 -4.401 3.501 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.268 -4.409 4.059 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.141 -3.925 6.310 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.133 -5.391 6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.475 -3.872 6.933 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.735 -2.087 4.756 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.045 -1.917 5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.415 -2.180 3.566 1.00 0.00 H new ATOM 430 N VAL A 30 -3.477 -2.721 4.562 1.00 0.00 N ATOM 431 CA VAL A 30 -2.483 -1.829 5.143 1.00 0.00 C ATOM 432 C VAL A 30 -2.814 -0.382 4.799 1.00 0.00 C ATOM 433 O VAL A 30 -3.260 -0.089 3.689 1.00 0.00 O ATOM 434 CB VAL A 30 -1.064 -2.145 4.637 1.00 0.00 C ATOM 435 CG1 VAL A 30 -0.022 -1.517 5.551 1.00 0.00 C ATOM 436 CG2 VAL A 30 -0.852 -3.643 4.516 1.00 0.00 C ATOM 0 H VAL A 30 -3.591 -2.623 3.553 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.508 -1.978 6.222 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.950 -1.713 3.643 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.976 -1.750 5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.159 -0.436 5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.135 -1.915 6.559 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.158 -3.840 4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.987 -4.110 5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.574 -4.057 3.813 1.00 0.00 H new ATOM 446 N GLN A 31 -2.640 0.517 5.755 1.00 0.00 N ATOM 447 CA GLN A 31 -2.920 1.928 5.533 1.00 0.00 C ATOM 448 C GLN A 31 -1.620 2.734 5.455 1.00 0.00 C ATOM 449 O GLN A 31 -0.662 2.461 6.184 1.00 0.00 O ATOM 450 CB GLN A 31 -3.823 2.490 6.644 1.00 0.00 C ATOM 451 CG GLN A 31 -5.125 1.716 6.878 1.00 0.00 C ATOM 452 CD GLN A 31 -4.987 0.569 7.867 1.00 0.00 C ATOM 453 OE1 GLN A 31 -5.115 0.763 9.077 1.00 0.00 O ATOM 454 NE2 GLN A 31 -4.769 -0.632 7.361 1.00 0.00 N ATOM 0 H GLN A 31 -2.306 0.295 6.693 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.444 2.018 4.582 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.257 2.509 7.576 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.071 3.523 6.401 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.887 2.406 7.240 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.479 1.322 5.925 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.669 -0.750 6.353 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.701 -1.441 7.979 1.00 0.00 H new ATOM 463 N PHE A 32 -1.583 3.734 4.569 1.00 0.00 N ATOM 464 CA PHE A 32 -0.375 4.543 4.366 1.00 0.00 C ATOM 465 C PHE A 32 -0.699 6.028 4.266 1.00 0.00 C ATOM 466 O PHE A 32 -1.786 6.419 3.845 1.00 0.00 O ATOM 467 CB PHE A 32 0.343 4.128 3.080 1.00 0.00 C ATOM 468 CG PHE A 32 0.542 2.655 2.928 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.473 1.867 2.420 1.00 0.00 C ATOM 470 CD2 PHE A 32 1.740 2.057 3.279 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.302 0.519 2.267 1.00 0.00 C ATOM 472 CE2 PHE A 32 1.915 0.696 3.126 1.00 0.00 C ATOM 473 CZ PHE A 32 0.888 -0.072 2.618 1.00 0.00 C ATOM 0 H PHE A 32 -2.373 4.003 3.982 1.00 0.00 H new ATOM 0 HA PHE A 32 0.264 4.371 5.232 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.227 4.495 2.226 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.316 4.618 3.048 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.412 2.321 2.141 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.544 2.660 3.676 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.105 -0.083 1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.852 0.235 3.403 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.019 -1.137 2.496 1.00 0.00 H new HETATM 483 OH ALY A 33 -6.069 9.656 7.695 1.00 0.00 O HETATM 484 CH ALY A 33 -5.506 10.513 7.002 1.00 0.00 C HETATM 485 CH3 ALY A 33 -6.274 11.416 6.079 1.00 0.00 C HETATM 486 NZ ALY A 33 -4.200 10.715 7.050 1.00 0.00 N HETATM 487 CE ALY A 33 -3.221 9.676 7.338 1.00 0.00 C HETATM 488 CD ALY A 33 -2.039 9.744 6.395 1.00 0.00 C HETATM 489 CG ALY A 33 -0.949 8.775 6.802 1.00 0.00 C HETATM 490 CB ALY A 33 0.275 8.938 5.925 1.00 0.00 C HETATM 491 CA ALY A 33 0.151 8.302 4.539 1.00 0.00 C HETATM 492 N ALY A 33 0.266 6.853 4.634 1.00 0.00 N HETATM 493 C ALY A 33 1.249 8.834 3.628 1.00 0.00 C HETATM 494 O ALY A 33 2.407 8.952 4.039 1.00 0.00 O HETATM 0 HH33 ALY A 33 -6.805 10.815 5.341 1.00 0.00 H new HETATM 0 HH32 ALY A 33 -6.991 12.000 6.655 1.00 0.00 H new HETATM 0 HH31 ALY A 33 -5.583 12.089 5.570 1.00 0.00 H new HETATM 0 HZ ALY A 33 -3.856 11.659 6.874 1.00 0.00 H new HETATM 0 HG3 ALY A 33 -1.320 7.753 6.729 1.00 0.00 H new HETATM 0 HG2 ALY A 33 -0.679 8.942 7.845 1.00 0.00 H new HETATM 0 HE3 ALY A 33 -3.695 8.697 7.258 1.00 0.00 H new HETATM 0 HE2 ALY A 33 -2.873 9.779 8.366 1.00 0.00 H new HETATM 0 HD3 ALY A 33 -1.640 10.758 6.383 1.00 0.00 H new HETATM 0 HD2 ALY A 33 -2.368 9.518 5.381 1.00 0.00 H new HETATM 0 HCA ALY A 33 -0.825 8.556 4.126 1.00 0.00 H new HETATM 0 HB3 ALY A 33 1.133 8.501 6.436 1.00 0.00 H new HETATM 0 HB2 ALY A 33 0.482 10.001 5.806 1.00 0.00 H new ATOM 509 N ILE A 34 0.901 9.154 2.392 1.00 0.00 N ATOM 510 CA ILE A 34 1.897 9.599 1.421 1.00 0.00 C ATOM 511 C ILE A 34 1.422 10.834 0.680 1.00 0.00 C ATOM 512 O ILE A 34 0.233 11.159 0.684 1.00 0.00 O ATOM 513 CB ILE A 34 2.235 8.491 0.381 1.00 0.00 C ATOM 514 CG1 ILE A 34 1.029 8.218 -0.530 1.00 0.00 C ATOM 515 CG2 ILE A 34 2.676 7.210 1.084 1.00 0.00 C ATOM 516 CD1 ILE A 34 1.307 7.205 -1.623 1.00 0.00 C ATOM 0 H ILE A 34 -0.054 9.116 2.036 1.00 0.00 H new ATOM 0 HA ILE A 34 2.797 9.833 1.990 1.00 0.00 H new ATOM 0 HB ILE A 34 3.060 8.844 -0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.198 7.863 0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.711 9.155 -0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.908 6.448 0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.563 7.412 1.685 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.873 6.854 1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.410 7.064 -2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.117 7.567 -2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.595 6.255 -1.174 1.00 0.00 H new ATOM 528 N LYS A 35 2.344 11.531 0.045 1.00 0.00 N ATOM 529 CA LYS A 35 2.003 12.714 -0.718 1.00 0.00 C ATOM 530 C LYS A 35 1.333 12.318 -2.023 1.00 0.00 C ATOM 531 O LYS A 35 1.660 11.291 -2.610 1.00 0.00 O ATOM 532 CB LYS A 35 3.251 13.559 -1.004 1.00 0.00 C ATOM 533 CG LYS A 35 4.016 13.982 0.240 1.00 0.00 C ATOM 534 CD LYS A 35 5.126 14.969 -0.099 1.00 0.00 C ATOM 535 CE LYS A 35 6.276 14.320 -0.858 1.00 0.00 C ATOM 536 NZ LYS A 35 7.031 13.357 -0.024 1.00 0.00 N ATOM 0 H LYS A 35 3.337 11.297 0.043 1.00 0.00 H new ATOM 0 HA LYS A 35 1.310 13.314 -0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.919 12.992 -1.652 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.953 14.451 -1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.329 14.436 0.955 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.443 13.103 0.723 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.714 15.782 -0.697 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.507 15.412 0.821 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.884 13.807 -1.736 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.954 15.095 -1.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.906 13.083 -0.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.269 13.799 0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.449 12.512 0.143 1.00 0.00 H new ATOM 550 N ARG A 36 0.405 13.143 -2.496 1.00 0.00 N ATOM 551 CA ARG A 36 -0.307 12.865 -3.741 1.00 0.00 C ATOM 552 C ARG A 36 0.624 13.046 -4.932 1.00 0.00 C ATOM 553 O ARG A 36 0.336 12.618 -6.047 1.00 0.00 O ATOM 554 CB ARG A 36 -1.495 13.802 -3.891 1.00 0.00 C ATOM 555 CG ARG A 36 -1.106 15.268 -3.908 1.00 0.00 C ATOM 556 CD ARG A 36 -2.018 16.055 -4.809 1.00 0.00 C ATOM 557 NE ARG A 36 -1.612 17.457 -4.923 1.00 0.00 N ATOM 558 CZ ARG A 36 -2.251 18.366 -5.671 1.00 0.00 C ATOM 559 NH1 ARG A 36 -3.337 18.021 -6.367 1.00 0.00 N ATOM 560 NH2 ARG A 36 -1.797 19.614 -5.729 1.00 0.00 N ATOM 0 H ARG A 36 0.127 14.010 -2.037 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.661 11.834 -3.709 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.023 13.563 -4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.192 13.628 -3.071 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.150 15.672 -2.897 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.075 15.371 -4.247 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.028 15.600 -5.800 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.037 16.004 -4.425 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.791 17.761 -4.400 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.683 17.062 -6.330 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.821 18.716 -6.935 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.963 19.878 -5.204 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.282 20.307 -6.298 1.00 0.00 H new ATOM 574 N HIS A 37 1.760 13.659 -4.674 1.00 0.00 N ATOM 575 CA HIS A 37 2.744 13.952 -5.691 1.00 0.00 C ATOM 576 C HIS A 37 3.854 12.900 -5.605 1.00 0.00 C ATOM 577 O HIS A 37 4.767 12.842 -6.434 1.00 0.00 O ATOM 578 CB HIS A 37 3.285 15.374 -5.443 1.00 0.00 C ATOM 579 CG HIS A 37 4.367 15.838 -6.375 1.00 0.00 C ATOM 580 ND1 HIS A 37 5.706 15.690 -6.100 1.00 0.00 N ATOM 581 CD2 HIS A 37 4.303 16.488 -7.560 1.00 0.00 C ATOM 582 CE1 HIS A 37 6.417 16.229 -7.064 1.00 0.00 C ATOM 583 NE2 HIS A 37 5.595 16.721 -7.962 1.00 0.00 N ATOM 0 H HIS A 37 2.028 13.971 -3.741 1.00 0.00 H new ATOM 0 HA HIS A 37 2.315 13.916 -6.692 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.452 16.074 -5.507 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.665 15.424 -4.423 1.00 0.00 H new ATOM 0 HD2 HIS A 37 3.405 16.770 -8.090 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.496 16.262 -7.110 1.00 0.00 H new ATOM 0 HE2 HIS A 37 5.872 17.199 -8.820 1.00 0.00 H new ATOM 592 N THR A 38 3.744 12.061 -4.590 1.00 0.00 N ATOM 593 CA THR A 38 4.678 10.991 -4.326 1.00 0.00 C ATOM 594 C THR A 38 4.164 9.689 -4.952 1.00 0.00 C ATOM 595 O THR A 38 2.966 9.437 -4.953 1.00 0.00 O ATOM 596 CB THR A 38 4.862 10.834 -2.784 1.00 0.00 C ATOM 597 OG1 THR A 38 5.964 11.627 -2.332 1.00 0.00 O ATOM 598 CG2 THR A 38 5.052 9.382 -2.356 1.00 0.00 C ATOM 0 H THR A 38 2.983 12.110 -3.913 1.00 0.00 H new ATOM 0 HA THR A 38 5.645 11.225 -4.770 1.00 0.00 H new ATOM 0 HB THR A 38 3.941 11.186 -2.320 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.272 11.294 -1.463 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.175 9.335 -1.274 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.178 8.799 -2.648 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.939 8.973 -2.840 1.00 0.00 H new ATOM 606 N PRO A 39 5.064 8.857 -5.514 1.00 0.00 N ATOM 607 CA PRO A 39 4.672 7.596 -6.154 1.00 0.00 C ATOM 608 C PRO A 39 4.036 6.615 -5.167 1.00 0.00 C ATOM 609 O PRO A 39 4.592 6.322 -4.102 1.00 0.00 O ATOM 610 CB PRO A 39 5.993 7.035 -6.699 1.00 0.00 C ATOM 611 CG PRO A 39 7.058 7.715 -5.907 1.00 0.00 C ATOM 612 CD PRO A 39 6.522 9.073 -5.561 1.00 0.00 C ATOM 0 HA PRO A 39 3.917 7.752 -6.924 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.042 5.953 -6.578 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.100 7.242 -7.764 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.294 7.149 -5.006 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.980 7.796 -6.483 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.908 9.427 -4.605 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.795 9.817 -6.310 1.00 0.00 H new ATOM 620 N LEU A 40 2.866 6.093 -5.525 1.00 0.00 N ATOM 621 CA LEU A 40 2.139 5.146 -4.674 1.00 0.00 C ATOM 622 C LEU A 40 2.874 3.819 -4.609 1.00 0.00 C ATOM 623 O LEU A 40 2.624 2.984 -3.742 1.00 0.00 O ATOM 624 CB LEU A 40 0.696 4.943 -5.168 1.00 0.00 C ATOM 625 CG LEU A 40 0.461 3.989 -6.360 1.00 0.00 C ATOM 626 CD1 LEU A 40 -1.001 3.990 -6.748 1.00 0.00 C ATOM 627 CD2 LEU A 40 1.330 4.332 -7.560 1.00 0.00 C ATOM 0 H LEU A 40 2.396 6.310 -6.404 1.00 0.00 H new ATOM 0 HA LEU A 40 2.090 5.567 -3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.104 4.579 -4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.296 5.920 -5.439 1.00 0.00 H new ATOM 0 HG LEU A 40 0.749 2.989 -6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.155 3.314 -7.589 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.602 3.658 -5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.301 4.998 -7.033 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.126 3.631 -8.369 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.107 5.346 -7.893 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.381 4.265 -7.279 1.00 0.00 H new ATOM 639 N SER A 41 3.766 3.634 -5.551 1.00 0.00 N ATOM 640 CA SER A 41 4.602 2.460 -5.666 1.00 0.00 C ATOM 641 C SER A 41 5.318 2.162 -4.353 1.00 0.00 C ATOM 642 O SER A 41 5.609 1.009 -4.036 1.00 0.00 O ATOM 643 CB SER A 41 5.608 2.730 -6.754 1.00 0.00 C ATOM 644 OG SER A 41 5.102 3.740 -7.613 1.00 0.00 O ATOM 0 H SER A 41 3.937 4.320 -6.286 1.00 0.00 H new ATOM 0 HA SER A 41 3.991 1.590 -5.905 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.556 3.046 -6.319 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.804 1.819 -7.319 1.00 0.00 H new ATOM 0 HG SER A 41 5.672 3.810 -8.407 1.00 0.00 H new ATOM 650 N LYS A 42 5.578 3.206 -3.579 1.00 0.00 N ATOM 651 CA LYS A 42 6.240 3.064 -2.301 1.00 0.00 C ATOM 652 C LYS A 42 5.376 2.237 -1.359 1.00 0.00 C ATOM 653 O LYS A 42 5.867 1.353 -0.661 1.00 0.00 O ATOM 654 CB LYS A 42 6.521 4.435 -1.695 1.00 0.00 C ATOM 655 CG LYS A 42 7.307 5.359 -2.615 1.00 0.00 C ATOM 656 CD LYS A 42 7.591 6.696 -1.953 1.00 0.00 C ATOM 657 CE LYS A 42 8.525 6.536 -0.769 1.00 0.00 C ATOM 658 NZ LYS A 42 8.825 7.828 -0.116 1.00 0.00 N ATOM 0 H LYS A 42 5.336 4.167 -3.822 1.00 0.00 H new ATOM 0 HA LYS A 42 7.190 2.551 -2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.574 4.911 -1.439 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.075 4.305 -0.765 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.247 4.883 -2.893 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.746 5.520 -3.536 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.034 7.377 -2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.655 7.147 -1.623 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.075 5.859 -0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.455 6.074 -1.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.466 7.670 0.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.278 8.466 -0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.942 8.258 0.225 1.00 0.00 H new ATOM 672 N LEU A 43 4.070 2.517 -1.352 1.00 0.00 N ATOM 673 CA LEU A 43 3.147 1.771 -0.514 1.00 0.00 C ATOM 674 C LEU A 43 2.936 0.380 -1.085 1.00 0.00 C ATOM 675 O LEU A 43 2.848 -0.597 -0.349 1.00 0.00 O ATOM 676 CB LEU A 43 1.797 2.521 -0.337 1.00 0.00 C ATOM 677 CG LEU A 43 0.741 2.369 -1.455 1.00 0.00 C ATOM 678 CD1 LEU A 43 -0.080 1.092 -1.283 1.00 0.00 C ATOM 679 CD2 LEU A 43 -0.176 3.571 -1.483 1.00 0.00 C ATOM 0 H LEU A 43 3.637 3.250 -1.914 1.00 0.00 H new ATOM 0 HA LEU A 43 3.587 1.677 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.347 2.186 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.015 3.583 -0.223 1.00 0.00 H new ATOM 0 HG LEU A 43 1.275 2.302 -2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.812 1.019 -2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.582 0.227 -1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.596 1.118 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.914 3.448 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.686 3.662 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.410 4.471 -1.669 1.00 0.00 H new ATOM 691 N MET A 44 2.864 0.287 -2.418 1.00 0.00 N ATOM 692 CA MET A 44 2.651 -0.997 -3.070 1.00 0.00 C ATOM 693 C MET A 44 3.777 -1.967 -2.750 1.00 0.00 C ATOM 694 O MET A 44 3.539 -3.104 -2.343 1.00 0.00 O ATOM 695 CB MET A 44 2.513 -0.839 -4.589 1.00 0.00 C ATOM 696 CG MET A 44 1.327 0.007 -5.019 1.00 0.00 C ATOM 697 SD MET A 44 0.912 -0.212 -6.761 1.00 0.00 S ATOM 698 CE MET A 44 2.435 0.279 -7.558 1.00 0.00 C ATOM 0 H MET A 44 2.950 1.079 -3.055 1.00 0.00 H new ATOM 0 HA MET A 44 1.717 -1.403 -2.681 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.426 -0.392 -4.981 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.423 -1.827 -5.040 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.462 -0.250 -4.408 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.548 1.058 -4.832 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.396 0.012 -8.614 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.565 1.357 -7.461 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.274 -0.232 -7.086 1.00 0.00 H new ATOM 708 N LYS A 45 5.010 -1.518 -2.912 1.00 0.00 N ATOM 709 CA LYS A 45 6.151 -2.367 -2.636 1.00 0.00 C ATOM 710 C LYS A 45 6.269 -2.646 -1.147 1.00 0.00 C ATOM 711 O LYS A 45 6.632 -3.744 -0.742 1.00 0.00 O ATOM 712 CB LYS A 45 7.437 -1.756 -3.185 1.00 0.00 C ATOM 713 CG LYS A 45 7.415 -1.571 -4.700 1.00 0.00 C ATOM 714 CD LYS A 45 8.781 -1.206 -5.253 1.00 0.00 C ATOM 715 CE LYS A 45 9.753 -2.372 -5.140 1.00 0.00 C ATOM 716 NZ LYS A 45 11.080 -2.039 -5.716 1.00 0.00 N ATOM 0 H LYS A 45 5.243 -0.578 -3.231 1.00 0.00 H new ATOM 0 HA LYS A 45 5.994 -3.318 -3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.604 -0.789 -2.710 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.279 -2.394 -2.915 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.068 -2.490 -5.172 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.700 -0.790 -4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.685 -0.909 -6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.177 -0.346 -4.712 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.870 -2.648 -4.092 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.341 -3.240 -5.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.715 -2.857 -5.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.972 -1.800 -6.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.484 -1.226 -5.209 1.00 0.00 H new ATOM 730 N ALA A 46 5.926 -1.664 -0.325 1.00 0.00 N ATOM 731 CA ALA A 46 5.969 -1.842 1.116 1.00 0.00 C ATOM 732 C ALA A 46 4.972 -2.908 1.538 1.00 0.00 C ATOM 733 O ALA A 46 5.245 -3.716 2.418 1.00 0.00 O ATOM 734 CB ALA A 46 5.681 -0.531 1.830 1.00 0.00 C ATOM 0 H ALA A 46 5.617 -0.741 -0.631 1.00 0.00 H new ATOM 0 HA ALA A 46 6.971 -2.166 1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.718 -0.688 2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.428 0.210 1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.690 -0.174 1.550 1.00 0.00 H new ATOM 740 N TYR A 47 3.814 -2.919 0.880 1.00 0.00 N ATOM 741 CA TYR A 47 2.770 -3.893 1.145 1.00 0.00 C ATOM 742 C TYR A 47 3.294 -5.308 0.971 1.00 0.00 C ATOM 743 O TYR A 47 3.240 -6.112 1.888 1.00 0.00 O ATOM 744 CB TYR A 47 1.581 -3.660 0.204 1.00 0.00 C ATOM 745 CG TYR A 47 0.482 -4.706 0.304 1.00 0.00 C ATOM 746 CD1 TYR A 47 -0.556 -4.555 1.197 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.487 -5.834 -0.508 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.567 -5.490 1.289 1.00 0.00 C ATOM 749 CE2 TYR A 47 -0.517 -6.778 -0.426 1.00 0.00 C ATOM 750 CZ TYR A 47 -1.546 -6.601 0.474 1.00 0.00 C ATOM 751 OH TYR A 47 -2.554 -7.536 0.562 1.00 0.00 O ATOM 0 H TYR A 47 3.578 -2.249 0.148 1.00 0.00 H new ATOM 0 HA TYR A 47 2.442 -3.769 2.177 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.153 -2.680 0.416 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.947 -3.633 -0.823 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.579 -3.687 1.839 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.291 -5.975 -1.216 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.371 -5.352 1.997 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.496 -7.650 -1.063 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.389 -8.256 -0.082 1.00 0.00 H new ATOM 761 N CYS A 48 3.829 -5.609 -0.197 1.00 0.00 N ATOM 762 CA CYS A 48 4.316 -6.941 -0.475 1.00 0.00 C ATOM 763 C CYS A 48 5.480 -7.313 0.442 1.00 0.00 C ATOM 764 O CYS A 48 5.572 -8.445 0.919 1.00 0.00 O ATOM 765 CB CYS A 48 4.698 -7.088 -1.958 1.00 0.00 C ATOM 766 SG CYS A 48 5.959 -5.936 -2.556 1.00 0.00 S ATOM 0 H CYS A 48 3.936 -4.948 -0.966 1.00 0.00 H new ATOM 0 HA CYS A 48 3.507 -7.641 -0.269 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.052 -8.105 -2.125 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.799 -6.960 -2.561 1.00 0.00 H new ATOM 0 HG CYS A 48 6.362 -5.186 -1.574 1.00 0.00 H new ATOM 772 N GLU A 49 6.343 -6.347 0.734 1.00 0.00 N ATOM 773 CA GLU A 49 7.495 -6.588 1.586 1.00 0.00 C ATOM 774 C GLU A 49 7.080 -6.881 3.032 1.00 0.00 C ATOM 775 O GLU A 49 7.684 -7.714 3.703 1.00 0.00 O ATOM 776 CB GLU A 49 8.468 -5.407 1.528 1.00 0.00 C ATOM 777 CG GLU A 49 9.125 -5.221 0.165 1.00 0.00 C ATOM 778 CD GLU A 49 10.193 -4.150 0.166 1.00 0.00 C ATOM 779 OE1 GLU A 49 9.871 -2.971 -0.091 1.00 0.00 O ATOM 780 OE2 GLU A 49 11.372 -4.484 0.411 1.00 0.00 O ATOM 0 H GLU A 49 6.264 -5.389 0.392 1.00 0.00 H new ATOM 0 HA GLU A 49 8.004 -7.474 1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.934 -4.494 1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.245 -5.550 2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.566 -6.166 -0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.361 -4.964 -0.569 1.00 0.00 H new ATOM 787 N ARG A 50 6.037 -6.216 3.511 1.00 0.00 N ATOM 788 CA ARG A 50 5.580 -6.423 4.885 1.00 0.00 C ATOM 789 C ARG A 50 4.624 -7.620 4.991 1.00 0.00 C ATOM 790 O ARG A 50 4.668 -8.374 5.957 1.00 0.00 O ATOM 791 CB ARG A 50 4.902 -5.153 5.442 1.00 0.00 C ATOM 792 CG ARG A 50 3.608 -4.774 4.732 1.00 0.00 C ATOM 793 CD ARG A 50 2.916 -3.589 5.386 1.00 0.00 C ATOM 794 NE ARG A 50 2.546 -3.856 6.779 1.00 0.00 N ATOM 795 CZ ARG A 50 2.634 -2.968 7.770 1.00 0.00 C ATOM 796 NH1 ARG A 50 3.181 -1.771 7.556 1.00 0.00 N ATOM 797 NH2 ARG A 50 2.201 -3.292 8.981 1.00 0.00 N ATOM 0 H ARG A 50 5.495 -5.536 2.978 1.00 0.00 H new ATOM 0 HA ARG A 50 6.463 -6.641 5.485 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.692 -5.301 6.501 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.601 -4.320 5.369 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.824 -4.536 3.690 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.933 -5.630 4.730 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.574 -2.721 5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.021 -3.335 4.818 1.00 0.00 H new ATOM 0 HE ARG A 50 2.196 -4.787 7.006 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.535 -1.530 6.630 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.245 -1.096 8.318 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.803 -4.216 9.150 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.266 -2.617 9.743 1.00 0.00 H new ATOM 811 N GLN A 51 3.772 -7.802 3.985 1.00 0.00 N ATOM 812 CA GLN A 51 2.762 -8.867 4.008 1.00 0.00 C ATOM 813 C GLN A 51 3.351 -10.228 3.689 1.00 0.00 C ATOM 814 O GLN A 51 2.785 -11.259 4.037 1.00 0.00 O ATOM 815 CB GLN A 51 1.636 -8.541 3.034 1.00 0.00 C ATOM 816 CG GLN A 51 0.911 -7.261 3.367 1.00 0.00 C ATOM 817 CD GLN A 51 0.280 -7.270 4.753 1.00 0.00 C ATOM 818 OE1 GLN A 51 -0.887 -7.603 4.918 1.00 0.00 O ATOM 819 NE2 GLN A 51 1.062 -6.937 5.760 1.00 0.00 N ATOM 0 H GLN A 51 3.758 -7.228 3.142 1.00 0.00 H new ATOM 0 HA GLN A 51 2.366 -8.916 5.022 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.046 -8.467 2.027 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.921 -9.364 3.027 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.610 -6.427 3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.134 -7.087 2.623 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.029 -6.665 5.586 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.700 -6.952 6.713 1.00 0.00 H new ATOM 828 N GLY A 52 4.482 -10.233 3.029 1.00 0.00 N ATOM 829 CA GLY A 52 5.101 -11.478 2.660 1.00 0.00 C ATOM 830 C GLY A 52 4.672 -11.912 1.280 1.00 0.00 C ATOM 831 O GLY A 52 4.493 -13.104 1.002 1.00 0.00 O ATOM 0 H GLY A 52 4.988 -9.396 2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.185 -11.371 2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.836 -12.248 3.385 1.00 0.00 H new ATOM 835 N LEU A 53 4.520 -10.942 0.396 1.00 0.00 N ATOM 836 CA LEU A 53 4.105 -11.195 -0.969 1.00 0.00 C ATOM 837 C LEU A 53 5.154 -10.654 -1.931 1.00 0.00 C ATOM 838 O LEU A 53 6.002 -9.858 -1.550 1.00 0.00 O ATOM 839 CB LEU A 53 2.747 -10.547 -1.264 1.00 0.00 C ATOM 840 CG LEU A 53 1.496 -11.266 -0.728 1.00 0.00 C ATOM 841 CD1 LEU A 53 1.442 -12.707 -1.204 1.00 0.00 C ATOM 842 CD2 LEU A 53 1.407 -11.196 0.783 1.00 0.00 C ATOM 0 H LEU A 53 4.681 -9.957 0.606 1.00 0.00 H new ATOM 0 HA LEU A 53 4.004 -12.272 -1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.758 -9.537 -0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.645 -10.452 -2.345 1.00 0.00 H new ATOM 0 HG LEU A 53 0.630 -10.741 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.547 -13.188 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.415 -12.730 -2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.325 -13.240 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.510 -11.716 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.286 -11.669 1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.361 -10.153 1.097 1.00 0.00 H new ATOM 854 N SER A 54 5.115 -11.090 -3.168 1.00 0.00 N ATOM 855 CA SER A 54 6.059 -10.614 -4.163 1.00 0.00 C ATOM 856 C SER A 54 5.331 -9.870 -5.280 1.00 0.00 C ATOM 857 O SER A 54 4.170 -10.148 -5.554 1.00 0.00 O ATOM 858 CB SER A 54 6.821 -11.796 -4.755 1.00 0.00 C ATOM 859 OG SER A 54 7.401 -12.601 -3.748 1.00 0.00 O ATOM 0 H SER A 54 4.441 -11.774 -3.514 1.00 0.00 H new ATOM 0 HA SER A 54 6.757 -9.930 -3.680 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.144 -12.400 -5.359 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.601 -11.429 -5.422 1.00 0.00 H new ATOM 0 HG SER A 54 7.879 -13.349 -4.162 1.00 0.00 H new ATOM 865 N MET A 55 6.019 -8.931 -5.935 1.00 0.00 N ATOM 866 CA MET A 55 5.436 -8.185 -7.063 1.00 0.00 C ATOM 867 C MET A 55 5.117 -9.107 -8.228 1.00 0.00 C ATOM 868 O MET A 55 4.262 -8.821 -9.055 1.00 0.00 O ATOM 869 CB MET A 55 6.371 -7.065 -7.517 1.00 0.00 C ATOM 870 CG MET A 55 6.216 -5.816 -6.698 1.00 0.00 C ATOM 871 SD MET A 55 4.542 -5.174 -6.781 1.00 0.00 S ATOM 872 CE MET A 55 4.602 -3.986 -5.471 1.00 0.00 C ATOM 0 H MET A 55 6.978 -8.667 -5.708 1.00 0.00 H new ATOM 0 HA MET A 55 4.504 -7.741 -6.715 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.403 -7.410 -7.454 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.175 -6.835 -8.564 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.474 -6.027 -5.660 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.915 -5.058 -7.053 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.948 -4.305 -4.660 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.624 -3.903 -5.101 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.271 -3.016 -5.844 1.00 0.00 H new ATOM 882 N ARG A 56 5.833 -10.207 -8.306 1.00 0.00 N ATOM 883 CA ARG A 56 5.589 -11.200 -9.332 1.00 0.00 C ATOM 884 C ARG A 56 4.491 -12.172 -8.895 1.00 0.00 C ATOM 885 O ARG A 56 3.913 -12.889 -9.707 1.00 0.00 O ATOM 886 CB ARG A 56 6.880 -11.953 -9.733 1.00 0.00 C ATOM 887 CG ARG A 56 7.707 -12.539 -8.594 1.00 0.00 C ATOM 888 CD ARG A 56 8.650 -11.512 -7.966 1.00 0.00 C ATOM 889 NE ARG A 56 9.416 -10.756 -8.961 1.00 0.00 N ATOM 890 CZ ARG A 56 10.752 -10.649 -8.973 1.00 0.00 C ATOM 891 NH1 ARG A 56 11.491 -11.370 -8.133 1.00 0.00 N ATOM 892 NH2 ARG A 56 11.345 -9.850 -9.851 1.00 0.00 N ATOM 0 H ARG A 56 6.594 -10.438 -7.667 1.00 0.00 H new ATOM 0 HA ARG A 56 5.244 -10.672 -10.221 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.606 -12.764 -10.408 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.513 -11.268 -10.297 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.038 -12.930 -7.827 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.289 -13.381 -8.968 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.070 -10.818 -7.358 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.341 -12.023 -7.295 1.00 0.00 H new ATOM 0 HE ARG A 56 8.896 -10.278 -9.696 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.041 -12.008 -7.476 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.507 -11.285 -8.146 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.784 -9.318 -10.516 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.362 -9.768 -9.861 1.00 0.00 H new ATOM 906 N GLN A 57 4.211 -12.180 -7.598 1.00 0.00 N ATOM 907 CA GLN A 57 3.198 -13.060 -7.016 1.00 0.00 C ATOM 908 C GLN A 57 1.845 -12.378 -6.923 1.00 0.00 C ATOM 909 O GLN A 57 0.811 -13.033 -6.917 1.00 0.00 O ATOM 910 CB GLN A 57 3.633 -13.523 -5.627 1.00 0.00 C ATOM 911 CG GLN A 57 4.349 -14.865 -5.603 1.00 0.00 C ATOM 912 CD GLN A 57 5.336 -15.033 -6.738 1.00 0.00 C ATOM 913 OE1 GLN A 57 5.010 -15.573 -7.789 1.00 0.00 O ATOM 914 NE2 GLN A 57 6.532 -14.531 -6.549 1.00 0.00 N ATOM 0 H GLN A 57 4.677 -11.579 -6.918 1.00 0.00 H new ATOM 0 HA GLN A 57 3.099 -13.922 -7.676 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.290 -12.768 -5.196 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.753 -13.584 -4.986 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.874 -14.973 -4.654 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.610 -15.665 -5.651 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.765 -14.089 -5.660 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.230 -14.582 -7.291 1.00 0.00 H new ATOM 923 N ILE A 58 1.842 -11.067 -6.822 1.00 0.00 N ATOM 924 CA ILE A 58 0.586 -10.324 -6.716 1.00 0.00 C ATOM 925 C ILE A 58 0.535 -9.181 -7.718 1.00 0.00 C ATOM 926 O ILE A 58 1.461 -8.976 -8.488 1.00 0.00 O ATOM 927 CB ILE A 58 0.375 -9.739 -5.293 1.00 0.00 C ATOM 928 CG1 ILE A 58 1.365 -8.591 -5.030 1.00 0.00 C ATOM 929 CG2 ILE A 58 0.514 -10.828 -4.243 1.00 0.00 C ATOM 930 CD1 ILE A 58 1.295 -8.019 -3.630 1.00 0.00 C ATOM 0 H ILE A 58 2.682 -10.489 -6.810 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.208 -11.039 -6.929 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.636 -9.336 -5.230 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.378 -8.950 -5.213 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.176 -7.792 -5.747 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.363 -10.400 -3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.232 -11.602 -4.421 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.511 -11.265 -4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.025 -7.216 -3.528 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.295 -7.626 -3.447 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.515 -8.803 -2.905 1.00 0.00 H new ATOM 942 N ARG A 59 -0.559 -8.435 -7.688 1.00 0.00 N ATOM 943 CA ARG A 59 -0.742 -7.281 -8.539 1.00 0.00 C ATOM 944 C ARG A 59 -1.774 -6.340 -7.956 1.00 0.00 C ATOM 945 O ARG A 59 -2.760 -6.771 -7.361 1.00 0.00 O ATOM 946 CB ARG A 59 -1.107 -7.674 -9.972 1.00 0.00 C ATOM 947 CG ARG A 59 0.083 -7.654 -10.917 1.00 0.00 C ATOM 948 CD ARG A 59 0.688 -6.259 -10.992 1.00 0.00 C ATOM 949 NE ARG A 59 1.922 -6.226 -11.775 1.00 0.00 N ATOM 950 CZ ARG A 59 2.550 -5.108 -12.153 1.00 0.00 C ATOM 951 NH1 ARG A 59 2.012 -3.914 -11.909 1.00 0.00 N ATOM 952 NH2 ARG A 59 3.708 -5.189 -12.792 1.00 0.00 N ATOM 0 H ARG A 59 -1.347 -8.619 -7.067 1.00 0.00 H new ATOM 0 HA ARG A 59 0.214 -6.759 -8.584 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.544 -8.673 -9.968 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.872 -6.993 -10.346 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.836 -8.364 -10.576 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.230 -7.974 -11.911 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.037 -5.575 -11.433 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.892 -5.900 -9.983 1.00 0.00 H new ATOM 0 HE ARG A 59 2.332 -7.118 -12.052 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.114 -3.848 -11.430 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.498 -3.066 -12.201 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.117 -6.102 -12.994 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.191 -4.339 -13.082 1.00 0.00 H new ATOM 966 N PHE A 60 -1.535 -5.050 -8.121 1.00 0.00 N ATOM 967 CA PHE A 60 -2.404 -4.018 -7.583 1.00 0.00 C ATOM 968 C PHE A 60 -3.314 -3.463 -8.670 1.00 0.00 C ATOM 969 O PHE A 60 -2.921 -3.358 -9.840 1.00 0.00 O ATOM 970 CB PHE A 60 -1.562 -2.891 -6.970 1.00 0.00 C ATOM 971 CG PHE A 60 -0.706 -3.325 -5.804 1.00 0.00 C ATOM 972 CD1 PHE A 60 0.381 -4.166 -5.991 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.993 -2.891 -4.523 1.00 0.00 C ATOM 974 CE1 PHE A 60 1.158 -4.564 -4.925 1.00 0.00 C ATOM 975 CE2 PHE A 60 -0.218 -3.286 -3.454 1.00 0.00 C ATOM 976 CZ PHE A 60 0.859 -4.124 -3.655 1.00 0.00 C ATOM 0 H PHE A 60 -0.731 -4.688 -8.633 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.028 -4.459 -6.805 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.918 -2.471 -7.743 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.227 -2.093 -6.641 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.621 -4.513 -6.985 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.835 -2.235 -4.358 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.001 -5.220 -5.085 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.454 -2.939 -2.459 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.467 -4.434 -2.818 1.00 0.00 H new ATOM 986 N ARG A 61 -4.522 -3.108 -8.295 1.00 0.00 N ATOM 987 CA ARG A 61 -5.506 -2.604 -9.230 1.00 0.00 C ATOM 988 C ARG A 61 -6.332 -1.496 -8.591 1.00 0.00 C ATOM 989 O ARG A 61 -6.565 -1.498 -7.378 1.00 0.00 O ATOM 990 CB ARG A 61 -6.414 -3.741 -9.642 1.00 0.00 C ATOM 991 CG ARG A 61 -7.430 -3.395 -10.701 1.00 0.00 C ATOM 992 CD ARG A 61 -8.736 -4.084 -10.419 1.00 0.00 C ATOM 993 NE ARG A 61 -9.553 -4.231 -11.621 1.00 0.00 N ATOM 994 CZ ARG A 61 -10.733 -4.859 -11.672 1.00 0.00 C ATOM 995 NH1 ARG A 61 -11.264 -5.382 -10.573 1.00 0.00 N ATOM 996 NH2 ARG A 61 -11.387 -4.951 -12.826 1.00 0.00 N ATOM 0 H ARG A 61 -4.852 -3.160 -7.331 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.996 -2.195 -10.102 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.798 -4.564 -10.006 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.941 -4.103 -8.759 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.580 -2.316 -10.731 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.059 -3.693 -11.682 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.541 -5.068 -9.992 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.291 -3.516 -9.672 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.197 -3.824 -12.486 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.772 -5.306 -9.683 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.164 -5.860 -10.619 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.989 -4.543 -13.672 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.287 -5.430 -12.866 1.00 0.00 H new ATOM 1010 N PHE A 62 -6.765 -0.542 -9.401 1.00 0.00 N ATOM 1011 CA PHE A 62 -7.589 0.550 -8.936 1.00 0.00 C ATOM 1012 C PHE A 62 -8.453 1.064 -10.069 1.00 0.00 C ATOM 1013 O PHE A 62 -8.021 1.115 -11.205 1.00 0.00 O ATOM 1014 CB PHE A 62 -6.727 1.675 -8.376 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.512 2.810 -7.777 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.974 2.732 -6.476 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.787 3.952 -8.514 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.692 3.772 -5.920 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.506 4.993 -7.964 1.00 0.00 C ATOM 1020 CZ PHE A 62 -8.960 4.902 -6.665 1.00 0.00 C ATOM 0 H PHE A 62 -6.552 -0.508 -10.398 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.233 0.184 -8.136 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.063 1.265 -7.615 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.095 2.066 -9.174 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.771 1.849 -5.889 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.434 4.027 -9.532 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.044 3.701 -4.901 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.713 5.877 -8.549 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.525 5.714 -6.231 1.00 0.00 H new ATOM 1030 N ASP A 63 -9.668 1.455 -9.738 1.00 0.00 N ATOM 1031 CA ASP A 63 -10.663 1.948 -10.717 1.00 0.00 C ATOM 1032 C ASP A 63 -10.885 0.938 -11.834 1.00 0.00 C ATOM 1033 O ASP A 63 -11.325 1.278 -12.931 1.00 0.00 O ATOM 1034 CB ASP A 63 -10.200 3.265 -11.326 1.00 0.00 C ATOM 1035 CG ASP A 63 -11.359 4.159 -11.733 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -12.113 4.602 -10.839 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -11.520 4.431 -12.943 1.00 0.00 O ATOM 0 H ASP A 63 -10.012 1.446 -8.778 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.602 2.097 -10.183 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.573 3.793 -10.607 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.580 3.060 -12.199 1.00 0.00 H new ATOM 1042 N GLY A 64 -10.605 -0.310 -11.551 1.00 0.00 N ATOM 1043 CA GLY A 64 -10.750 -1.340 -12.539 1.00 0.00 C ATOM 1044 C GLY A 64 -9.481 -1.555 -13.354 1.00 0.00 C ATOM 1045 O GLY A 64 -9.254 -2.637 -13.894 1.00 0.00 O ATOM 0 H GLY A 64 -10.275 -0.634 -10.642 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.024 -2.274 -12.047 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.569 -1.081 -13.210 1.00 0.00 H new ATOM 1049 N GLN A 65 -8.641 -0.545 -13.414 1.00 0.00 N ATOM 1050 CA GLN A 65 -7.404 -0.613 -14.183 1.00 0.00 C ATOM 1051 C GLN A 65 -6.230 -1.043 -13.296 1.00 0.00 C ATOM 1052 O GLN A 65 -6.225 -0.789 -12.093 1.00 0.00 O ATOM 1053 CB GLN A 65 -7.113 0.741 -14.850 1.00 0.00 C ATOM 1054 CG GLN A 65 -7.162 1.915 -13.896 1.00 0.00 C ATOM 1055 CD GLN A 65 -6.751 3.220 -14.530 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -6.909 3.427 -15.733 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -6.238 4.115 -13.719 1.00 0.00 N ATOM 0 H GLN A 65 -8.789 0.344 -12.937 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.528 -1.364 -14.963 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.127 0.703 -15.314 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.835 0.904 -15.650 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.174 2.013 -13.504 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.510 1.711 -13.047 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.125 3.900 -12.728 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.952 5.025 -14.079 1.00 0.00 H new ATOM 1066 N PRO A 66 -5.231 -1.719 -13.876 1.00 0.00 N ATOM 1067 CA PRO A 66 -4.056 -2.173 -13.133 1.00 0.00 C ATOM 1068 C PRO A 66 -3.139 -1.011 -12.770 1.00 0.00 C ATOM 1069 O PRO A 66 -2.984 -0.060 -13.538 1.00 0.00 O ATOM 1070 CB PRO A 66 -3.358 -3.118 -14.115 1.00 0.00 C ATOM 1071 CG PRO A 66 -3.768 -2.630 -15.462 1.00 0.00 C ATOM 1072 CD PRO A 66 -5.162 -2.085 -15.304 1.00 0.00 C ATOM 0 HA PRO A 66 -4.320 -2.646 -12.187 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.275 -3.086 -13.994 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.666 -4.152 -13.957 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.087 -1.859 -15.821 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.747 -3.439 -16.192 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.330 -1.222 -15.948 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.915 -2.829 -15.564 1.00 0.00 H new ATOM 1080 N ILE A 67 -2.539 -1.070 -11.598 1.00 0.00 N ATOM 1081 CA ILE A 67 -1.646 -0.016 -11.163 1.00 0.00 C ATOM 1082 C ILE A 67 -0.211 -0.356 -11.530 1.00 0.00 C ATOM 1083 O ILE A 67 0.202 -1.520 -11.472 1.00 0.00 O ATOM 1084 CB ILE A 67 -1.724 0.204 -9.636 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -3.173 0.382 -9.182 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -0.895 1.415 -9.233 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -3.314 0.586 -7.689 1.00 0.00 C ATOM 0 H ILE A 67 -2.653 -1.834 -10.932 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.959 0.898 -11.668 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.319 -0.681 -9.145 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.606 1.237 -9.701 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.749 -0.495 -9.477 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.960 1.558 -8.154 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.145 1.254 -9.516 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.276 2.302 -9.740 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.367 0.706 -7.436 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.911 -0.280 -7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.766 1.479 -7.390 1.00 0.00 H new ATOM 1099 N ASN A 68 0.555 0.650 -11.910 1.00 0.00 N ATOM 1100 CA ASN A 68 1.949 0.455 -12.243 1.00 0.00 C ATOM 1101 C ASN A 68 2.789 1.175 -11.231 1.00 0.00 C ATOM 1102 O ASN A 68 2.330 2.118 -10.589 1.00 0.00 O ATOM 1103 CB ASN A 68 2.292 0.996 -13.641 1.00 0.00 C ATOM 1104 CG ASN A 68 1.095 1.180 -14.530 1.00 0.00 C ATOM 1105 OD1 ASN A 68 0.677 0.266 -15.234 1.00 0.00 O ATOM 1106 ND2 ASN A 68 0.552 2.374 -14.525 1.00 0.00 N ATOM 0 H ASN A 68 0.231 1.613 -11.995 1.00 0.00 H new ATOM 0 HA ASN A 68 2.149 -0.616 -12.239 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.804 1.952 -13.535 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.990 0.312 -14.124 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.251 2.572 -15.123 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.932 3.105 -13.923 1.00 0.00 H new ATOM 1113 N GLU A 69 4.020 0.762 -11.088 1.00 0.00 N ATOM 1114 CA GLU A 69 4.925 1.403 -10.156 1.00 0.00 C ATOM 1115 C GLU A 69 5.381 2.757 -10.700 1.00 0.00 C ATOM 1116 O GLU A 69 6.008 3.543 -10.002 1.00 0.00 O ATOM 1117 CB GLU A 69 6.132 0.505 -9.901 1.00 0.00 C ATOM 1118 CG GLU A 69 6.937 0.211 -11.158 1.00 0.00 C ATOM 1119 CD GLU A 69 8.119 -0.690 -10.904 1.00 0.00 C ATOM 1120 OE1 GLU A 69 8.983 -0.324 -10.079 1.00 0.00 O ATOM 1121 OE2 GLU A 69 8.195 -1.765 -11.533 1.00 0.00 O ATOM 0 H GLU A 69 4.426 -0.018 -11.605 1.00 0.00 H new ATOM 0 HA GLU A 69 4.400 1.567 -9.215 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.781 0.980 -9.165 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.792 -0.435 -9.467 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.286 -0.253 -11.899 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.288 1.150 -11.586 1.00 0.00 H new ATOM 1128 N THR A 70 5.108 3.005 -11.960 1.00 0.00 N ATOM 1129 CA THR A 70 5.455 4.261 -12.569 1.00 0.00 C ATOM 1130 C THR A 70 4.292 5.251 -12.546 1.00 0.00 C ATOM 1131 O THR A 70 4.374 6.338 -13.127 1.00 0.00 O ATOM 1132 CB THR A 70 5.925 4.034 -14.004 1.00 0.00 C ATOM 1133 OG1 THR A 70 5.033 3.116 -14.656 1.00 0.00 O ATOM 1134 CG2 THR A 70 7.329 3.460 -14.004 1.00 0.00 C ATOM 0 H THR A 70 4.643 2.346 -12.584 1.00 0.00 H new ATOM 0 HA THR A 70 6.265 4.697 -11.984 1.00 0.00 H new ATOM 0 HB THR A 70 5.928 4.985 -14.536 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.331 2.969 -15.578 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.657 3.301 -15.031 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.007 4.156 -13.510 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.334 2.510 -13.470 1.00 0.00 H new ATOM 1142 N ASP A 71 3.207 4.885 -11.878 1.00 0.00 N ATOM 1143 CA ASP A 71 2.052 5.767 -11.778 1.00 0.00 C ATOM 1144 C ASP A 71 2.024 6.491 -10.435 1.00 0.00 C ATOM 1145 O ASP A 71 2.716 6.107 -9.495 1.00 0.00 O ATOM 1146 CB ASP A 71 0.761 4.976 -11.965 1.00 0.00 C ATOM 1147 CG ASP A 71 -0.040 5.466 -13.151 1.00 0.00 C ATOM 1148 OD1 ASP A 71 0.333 5.128 -14.297 1.00 0.00 O ATOM 1149 OD2 ASP A 71 -1.029 6.192 -12.952 1.00 0.00 O ATOM 0 H ASP A 71 3.102 3.990 -11.400 1.00 0.00 H new ATOM 0 HA ASP A 71 2.134 6.513 -12.569 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.999 3.921 -12.100 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.155 5.053 -11.062 1.00 0.00 H new ATOM 1154 N THR A 72 1.260 7.563 -10.362 1.00 0.00 N ATOM 1155 CA THR A 72 1.089 8.306 -9.122 1.00 0.00 C ATOM 1156 C THR A 72 -0.356 8.255 -8.646 1.00 0.00 C ATOM 1157 O THR A 72 -1.266 8.088 -9.445 1.00 0.00 O ATOM 1158 CB THR A 72 1.498 9.775 -9.298 1.00 0.00 C ATOM 1159 OG1 THR A 72 1.268 10.189 -10.655 1.00 0.00 O ATOM 1160 CG2 THR A 72 2.951 9.988 -8.917 1.00 0.00 C ATOM 0 H THR A 72 0.742 7.944 -11.153 1.00 0.00 H new ATOM 0 HA THR A 72 1.732 7.836 -8.378 1.00 0.00 H new ATOM 0 HB THR A 72 0.886 10.384 -8.632 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.423 11.153 -10.733 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.212 11.038 -9.052 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.098 9.708 -7.874 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.588 9.371 -9.551 1.00 0.00 H new ATOM 1168 N PRO A 73 -0.584 8.430 -7.329 1.00 0.00 N ATOM 1169 CA PRO A 73 -1.933 8.404 -6.746 1.00 0.00 C ATOM 1170 C PRO A 73 -2.820 9.504 -7.322 1.00 0.00 C ATOM 1171 O PRO A 73 -4.025 9.323 -7.525 1.00 0.00 O ATOM 1172 CB PRO A 73 -1.683 8.650 -5.248 1.00 0.00 C ATOM 1173 CG PRO A 73 -0.325 9.261 -5.177 1.00 0.00 C ATOM 1174 CD PRO A 73 0.448 8.678 -6.311 1.00 0.00 C ATOM 0 HA PRO A 73 -2.453 7.469 -6.954 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.437 9.315 -4.826 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.727 7.719 -4.683 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.381 10.346 -5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.154 9.038 -4.223 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.213 9.365 -6.672 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.957 7.759 -6.021 1.00 0.00 H new ATOM 1182 N ALA A 74 -2.214 10.642 -7.618 1.00 0.00 N ATOM 1183 CA ALA A 74 -2.941 11.774 -8.156 1.00 0.00 C ATOM 1184 C ALA A 74 -3.303 11.554 -9.619 1.00 0.00 C ATOM 1185 O ALA A 74 -4.093 12.302 -10.198 1.00 0.00 O ATOM 1186 CB ALA A 74 -2.127 13.042 -7.992 1.00 0.00 C ATOM 0 H ALA A 74 -1.215 10.804 -7.493 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.871 11.877 -7.597 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.683 13.886 -8.400 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.930 13.214 -6.934 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.182 12.939 -8.525 1.00 0.00 H new ATOM 1192 N GLN A 75 -2.732 10.521 -10.228 1.00 0.00 N ATOM 1193 CA GLN A 75 -3.012 10.215 -11.616 1.00 0.00 C ATOM 1194 C GLN A 75 -4.361 9.544 -11.729 1.00 0.00 C ATOM 1195 O GLN A 75 -5.148 9.836 -12.629 1.00 0.00 O ATOM 1196 CB GLN A 75 -1.939 9.301 -12.192 1.00 0.00 C ATOM 1197 CG GLN A 75 -1.553 9.654 -13.618 1.00 0.00 C ATOM 1198 CD GLN A 75 -1.014 11.069 -13.756 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -1.226 11.724 -14.771 1.00 0.00 O ATOM 1200 NE2 GLN A 75 -0.291 11.539 -12.753 1.00 0.00 N ATOM 0 H GLN A 75 -2.074 9.885 -9.778 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.018 11.147 -12.181 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.052 9.350 -11.560 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.295 8.271 -12.163 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.800 8.949 -13.970 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.424 9.539 -14.263 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.135 10.966 -11.924 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.111 12.475 -12.809 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.643 8.652 -10.794 1.00 0.00 N ATOM 1210 CA LEU A 76 -5.897 7.927 -10.785 1.00 0.00 C ATOM 1211 C LEU A 76 -6.968 8.740 -10.077 1.00 0.00 C ATOM 1212 O LEU A 76 -8.036 8.223 -9.755 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.733 6.565 -10.102 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.371 5.886 -10.280 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.515 6.108 -9.056 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -4.535 4.404 -10.547 1.00 0.00 C ATOM 0 H LEU A 76 -4.014 8.413 -10.027 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.203 7.760 -11.818 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.918 6.691 -9.035 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.504 5.895 -10.482 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.876 6.332 -11.143 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.550 5.621 -9.194 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.364 7.177 -8.907 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.013 5.686 -8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.554 3.946 -10.670 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.051 3.938 -9.708 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.119 4.261 -11.456 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.658 10.037 -9.830 1.00 0.00 N ATOM 1229 CA GLU A 77 -7.567 11.000 -9.174 1.00 0.00 C ATOM 1230 C GLU A 77 -8.272 10.393 -7.965 1.00 0.00 C ATOM 1231 O GLU A 77 -9.469 10.594 -7.748 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.577 11.604 -10.180 1.00 0.00 C ATOM 1233 CG GLU A 77 -9.403 10.584 -10.949 1.00 0.00 C ATOM 1234 CD GLU A 77 -10.332 11.221 -11.942 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -9.859 11.637 -13.017 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -11.542 11.309 -11.656 1.00 0.00 O ATOM 0 H GLU A 77 -5.759 10.445 -10.085 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.949 11.816 -8.801 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.254 12.265 -9.640 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.031 12.221 -10.894 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.734 9.900 -11.471 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.984 9.988 -10.245 1.00 0.00 H new ATOM 1243 N MET A 78 -7.512 9.672 -7.163 1.00 0.00 N ATOM 1244 CA MET A 78 -8.046 9.005 -5.996 1.00 0.00 C ATOM 1245 C MET A 78 -8.045 9.948 -4.795 1.00 0.00 C ATOM 1246 O MET A 78 -7.381 10.991 -4.806 1.00 0.00 O ATOM 1247 CB MET A 78 -7.226 7.748 -5.707 1.00 0.00 C ATOM 1248 CG MET A 78 -5.825 8.023 -5.192 1.00 0.00 C ATOM 1249 SD MET A 78 -4.644 6.734 -5.647 1.00 0.00 S ATOM 1250 CE MET A 78 -5.533 5.262 -5.173 1.00 0.00 C ATOM 0 H MET A 78 -6.511 9.534 -7.303 1.00 0.00 H new ATOM 0 HA MET A 78 -9.078 8.713 -6.188 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.758 7.142 -4.974 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.156 7.156 -6.620 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.480 8.980 -5.584 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.854 8.116 -4.106 1.00 0.00 H new ATOM 0 HE1 MET A 78 -5.033 4.792 -4.326 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.552 5.527 -4.892 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.558 4.566 -6.011 1.00 0.00 H new ATOM 1260 N GLU A 79 -8.777 9.586 -3.756 1.00 0.00 N ATOM 1261 CA GLU A 79 -8.883 10.424 -2.577 1.00 0.00 C ATOM 1262 C GLU A 79 -8.323 9.706 -1.367 1.00 0.00 C ATOM 1263 O GLU A 79 -8.046 8.505 -1.416 1.00 0.00 O ATOM 1264 CB GLU A 79 -10.341 10.797 -2.324 1.00 0.00 C ATOM 1265 CG GLU A 79 -11.196 9.634 -1.861 1.00 0.00 C ATOM 1266 CD GLU A 79 -12.659 9.995 -1.768 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -13.345 10.002 -2.806 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -13.133 10.284 -0.647 1.00 0.00 O ATOM 0 H GLU A 79 -9.307 8.716 -3.706 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.306 11.333 -2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.380 11.586 -1.573 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.766 11.207 -3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.074 8.800 -2.552 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.846 9.295 -0.886 1.00 0.00 H new ATOM 1275 N ASP A 80 -8.127 10.435 -0.282 1.00 0.00 N ATOM 1276 CA ASP A 80 -7.652 9.857 0.958 1.00 0.00 C ATOM 1277 C ASP A 80 -8.607 8.803 1.504 1.00 0.00 C ATOM 1278 O ASP A 80 -9.830 8.914 1.385 1.00 0.00 O ATOM 1279 CB ASP A 80 -7.424 10.953 2.005 1.00 0.00 C ATOM 1280 CG ASP A 80 -8.652 11.808 2.234 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -8.887 12.743 1.437 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -9.390 11.558 3.201 1.00 0.00 O ATOM 0 H ASP A 80 -8.293 11.440 -0.238 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.706 9.361 0.741 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.126 10.493 2.947 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.598 11.589 1.685 1.00 0.00 H new ATOM 1287 N GLU A 81 -8.015 7.762 2.073 1.00 0.00 N ATOM 1288 CA GLU A 81 -8.713 6.646 2.698 1.00 0.00 C ATOM 1289 C GLU A 81 -9.341 5.726 1.657 1.00 0.00 C ATOM 1290 O GLU A 81 -10.212 4.909 1.971 1.00 0.00 O ATOM 1291 CB GLU A 81 -9.740 7.125 3.740 1.00 0.00 C ATOM 1292 CG GLU A 81 -9.113 7.938 4.873 1.00 0.00 C ATOM 1293 CD GLU A 81 -10.063 8.194 6.021 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -10.840 9.168 5.956 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -10.028 7.428 7.002 1.00 0.00 O ATOM 0 H GLU A 81 -7.000 7.668 2.114 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.969 6.059 3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.497 7.731 3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.251 6.259 4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.236 7.411 5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.766 8.893 4.477 1.00 0.00 H new ATOM 1302 N ASP A 82 -8.899 5.852 0.406 1.00 0.00 N ATOM 1303 CA ASP A 82 -9.389 4.974 -0.658 1.00 0.00 C ATOM 1304 C ASP A 82 -8.712 3.605 -0.557 1.00 0.00 C ATOM 1305 O ASP A 82 -7.669 3.469 0.089 1.00 0.00 O ATOM 1306 CB ASP A 82 -9.158 5.585 -2.040 1.00 0.00 C ATOM 1307 CG ASP A 82 -10.272 5.229 -3.005 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -10.459 4.026 -3.294 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -10.982 6.150 -3.463 1.00 0.00 O ATOM 0 H ASP A 82 -8.212 6.544 0.106 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.464 4.852 -0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.086 6.669 -1.951 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.206 5.234 -2.438 1.00 0.00 H new ATOM 1314 N THR A 83 -9.283 2.593 -1.190 1.00 0.00 N ATOM 1315 CA THR A 83 -8.755 1.239 -1.073 1.00 0.00 C ATOM 1316 C THR A 83 -8.240 0.675 -2.416 1.00 0.00 C ATOM 1317 O THR A 83 -8.845 0.863 -3.469 1.00 0.00 O ATOM 1318 CB THR A 83 -9.814 0.283 -0.467 1.00 0.00 C ATOM 1319 OG1 THR A 83 -10.291 0.824 0.777 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.226 -1.096 -0.212 1.00 0.00 C ATOM 0 H THR A 83 -10.106 2.680 -1.786 1.00 0.00 H new ATOM 0 HA THR A 83 -7.899 1.303 -0.401 1.00 0.00 H new ATOM 0 HB THR A 83 -10.633 0.187 -1.179 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.962 0.221 1.160 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.992 -1.745 0.213 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.872 -1.520 -1.152 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.393 -1.013 0.486 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.108 -0.013 -2.344 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.473 -0.654 -3.495 1.00 0.00 C ATOM 1330 C ILE A 84 -6.835 -2.141 -3.517 1.00 0.00 C ATOM 1331 O ILE A 84 -6.924 -2.772 -2.467 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.929 -0.535 -3.392 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.491 0.925 -3.232 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -4.246 -1.176 -4.590 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -4.858 1.808 -4.395 1.00 0.00 C ATOM 0 H ILE A 84 -6.595 -0.145 -1.472 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.823 -0.161 -4.402 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.619 -1.077 -2.498 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.941 1.331 -2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.410 0.956 -3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.165 -1.077 -4.489 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.510 -2.232 -4.637 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.572 -0.679 -5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.513 2.824 -4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.387 1.430 -5.302 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.941 1.810 -4.523 1.00 0.00 H new ATOM 1347 N ASP A 85 -7.038 -2.707 -4.702 1.00 0.00 N ATOM 1348 CA ASP A 85 -7.365 -4.132 -4.813 1.00 0.00 C ATOM 1349 C ASP A 85 -6.146 -4.931 -5.244 1.00 0.00 C ATOM 1350 O ASP A 85 -5.545 -4.654 -6.279 1.00 0.00 O ATOM 1351 CB ASP A 85 -8.506 -4.363 -5.810 1.00 0.00 C ATOM 1352 CG ASP A 85 -9.029 -5.786 -5.760 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -9.673 -6.148 -4.754 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -8.817 -6.541 -6.729 1.00 0.00 O ATOM 0 H ASP A 85 -6.984 -2.212 -5.592 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.687 -4.471 -3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.320 -3.670 -5.595 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.156 -4.141 -6.818 1.00 0.00 H new ATOM 1359 N VAL A 86 -5.758 -5.901 -4.438 1.00 0.00 N ATOM 1360 CA VAL A 86 -4.621 -6.759 -4.756 1.00 0.00 C ATOM 1361 C VAL A 86 -5.067 -8.194 -4.967 1.00 0.00 C ATOM 1362 O VAL A 86 -5.876 -8.728 -4.208 1.00 0.00 O ATOM 1363 CB VAL A 86 -3.557 -6.721 -3.641 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -2.383 -7.631 -3.968 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -3.080 -5.309 -3.426 1.00 0.00 C ATOM 0 H VAL A 86 -6.213 -6.119 -3.552 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.181 -6.376 -5.677 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.017 -7.085 -2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.650 -7.582 -3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.736 -8.656 -4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.920 -7.307 -4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.329 -5.295 -2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.643 -4.928 -4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.922 -4.680 -3.137 1.00 0.00 H new ATOM 1375 N PHE A 87 -4.512 -8.830 -5.979 1.00 0.00 N ATOM 1376 CA PHE A 87 -4.847 -10.198 -6.306 1.00 0.00 C ATOM 1377 C PHE A 87 -3.592 -10.991 -6.619 1.00 0.00 C ATOM 1378 O PHE A 87 -2.573 -10.425 -7.036 1.00 0.00 O ATOM 1379 CB PHE A 87 -5.853 -10.261 -7.459 1.00 0.00 C ATOM 1380 CG PHE A 87 -5.614 -9.254 -8.541 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -6.196 -8.001 -8.471 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -4.819 -9.559 -9.628 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -5.989 -7.075 -9.461 1.00 0.00 C ATOM 1384 CE2 PHE A 87 -4.607 -8.630 -10.628 1.00 0.00 C ATOM 1385 CZ PHE A 87 -5.194 -7.386 -10.544 1.00 0.00 C ATOM 0 H PHE A 87 -3.816 -8.412 -6.597 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.324 -10.651 -5.437 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.826 -11.259 -7.895 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.856 -10.116 -7.059 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.821 -7.749 -7.627 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.358 -10.533 -9.697 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.449 -6.100 -9.392 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.983 -8.878 -11.474 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.032 -6.657 -11.324 1.00 0.00 H new ATOM 1395 N GLN A 88 -3.648 -12.293 -6.396 1.00 0.00 N ATOM 1396 CA GLN A 88 -2.502 -13.160 -6.595 1.00 0.00 C ATOM 1397 C GLN A 88 -2.329 -13.531 -8.071 1.00 0.00 C ATOM 1398 O GLN A 88 -3.157 -14.220 -8.657 1.00 0.00 O ATOM 1399 CB GLN A 88 -2.664 -14.436 -5.762 1.00 0.00 C ATOM 1400 CG GLN A 88 -1.370 -15.209 -5.553 1.00 0.00 C ATOM 1401 CD GLN A 88 -0.700 -14.900 -4.221 1.00 0.00 C ATOM 1402 OE1 GLN A 88 0.006 -15.732 -3.667 1.00 0.00 O ATOM 1403 NE2 GLN A 88 -0.929 -13.711 -3.694 1.00 0.00 N ATOM 0 H GLN A 88 -4.486 -12.776 -6.073 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.613 -12.618 -6.274 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.078 -14.172 -4.789 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.389 -15.087 -6.251 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.579 -16.277 -5.609 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.679 -14.976 -6.363 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.523 -13.042 -4.184 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.512 -13.462 -2.797 1.00 0.00 H new ATOM 1412 N GLN A 89 -1.253 -13.061 -8.660 1.00 0.00 N ATOM 1413 CA GLN A 89 -0.911 -13.376 -10.040 1.00 0.00 C ATOM 1414 C GLN A 89 0.228 -14.389 -10.079 1.00 0.00 C ATOM 1415 O GLN A 89 0.940 -14.518 -11.081 1.00 0.00 O ATOM 1416 CB GLN A 89 -0.520 -12.103 -10.791 1.00 0.00 C ATOM 1417 CG GLN A 89 -1.702 -11.226 -11.159 1.00 0.00 C ATOM 1418 CD GLN A 89 -2.642 -11.908 -12.139 1.00 0.00 C ATOM 1419 OE1 GLN A 89 -2.220 -12.722 -12.960 1.00 0.00 O ATOM 1420 NE2 GLN A 89 -3.916 -11.586 -12.059 1.00 0.00 N ATOM 0 H GLN A 89 -0.583 -12.446 -8.198 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.782 -13.812 -10.529 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.171 -11.527 -10.176 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.015 -12.378 -11.700 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.251 -10.962 -10.255 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.339 -10.295 -11.595 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.228 -10.907 -11.365 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.591 -12.016 -12.691 1.00 0.00 H new ATOM 1429 N GLN A 90 0.381 -15.116 -8.980 1.00 0.00 N ATOM 1430 CA GLN A 90 1.422 -16.120 -8.832 1.00 0.00 C ATOM 1431 C GLN A 90 1.260 -17.233 -9.862 1.00 0.00 C ATOM 1432 O GLN A 90 0.149 -17.691 -10.134 1.00 0.00 O ATOM 1433 CB GLN A 90 1.386 -16.692 -7.414 1.00 0.00 C ATOM 1434 CG GLN A 90 2.498 -17.676 -7.103 1.00 0.00 C ATOM 1435 CD GLN A 90 2.489 -18.115 -5.653 1.00 0.00 C ATOM 1436 OE1 GLN A 90 1.437 -18.188 -5.017 1.00 0.00 O ATOM 1437 NE2 GLN A 90 3.657 -18.398 -5.120 1.00 0.00 N ATOM 0 H GLN A 90 -0.220 -15.023 -8.161 1.00 0.00 H new ATOM 0 HA GLN A 90 2.389 -15.648 -9.003 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.438 -15.868 -6.702 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.427 -17.187 -7.260 1.00 0.00 H new ATOM 0 HG2 GLN A 90 2.396 -18.551 -7.746 1.00 0.00 H new ATOM 0 HG3 GLN A 90 3.460 -17.219 -7.336 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.505 -18.325 -5.682 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.715 -18.691 -4.145 1.00 0.00 H new ATOM 1446 N THR A 91 2.371 -17.668 -10.430 1.00 0.00 N ATOM 1447 CA THR A 91 2.371 -18.699 -11.449 1.00 0.00 C ATOM 1448 C THR A 91 1.925 -20.052 -10.891 1.00 0.00 C ATOM 1449 O THR A 91 1.127 -20.765 -11.506 1.00 0.00 O ATOM 1450 CB THR A 91 3.770 -18.833 -12.068 1.00 0.00 C ATOM 1451 OG1 THR A 91 4.755 -18.860 -11.021 1.00 0.00 O ATOM 1452 CG2 THR A 91 4.056 -17.667 -13.001 1.00 0.00 C ATOM 0 H THR A 91 3.299 -17.315 -10.196 1.00 0.00 H new ATOM 0 HA THR A 91 1.657 -18.399 -12.215 1.00 0.00 H new ATOM 0 HB THR A 91 3.812 -19.759 -12.642 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.648 -18.947 -11.414 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.052 -17.780 -13.430 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.316 -17.651 -13.801 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.006 -16.733 -12.442 1.00 0.00 H new ATOM 1460 N GLY A 92 2.442 -20.406 -9.732 1.00 0.00 N ATOM 1461 CA GLY A 92 2.092 -21.669 -9.119 1.00 0.00 C ATOM 1462 C GLY A 92 3.205 -22.677 -9.256 1.00 0.00 C ATOM 1463 O GLY A 92 3.767 -23.142 -8.264 1.00 0.00 O ATOM 0 H GLY A 92 3.102 -19.840 -9.199 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.869 -21.513 -8.064 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.186 -22.061 -9.582 1.00 0.00 H new ATOM 1467 N GLY A 93 3.536 -23.018 -10.485 1.00 0.00 N ATOM 1468 CA GLY A 93 4.616 -23.941 -10.729 1.00 0.00 C ATOM 1469 C GLY A 93 5.869 -23.226 -11.167 1.00 0.00 C ATOM 1470 O GLY A 93 6.671 -22.834 -10.298 1.00 0.00 O ATOM 1471 OXT GLY A 93 6.057 -23.042 -12.383 1.00 0.00 O ATOM 0 H GLY A 93 3.073 -22.670 -11.324 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.820 -24.511 -9.823 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.318 -24.656 -11.495 1.00 0.00 H new TER 1475 GLY A 93