USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ 139:sc= 0.0172 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.478 X(o=-0.48,f=-0.29) USER MOD Single : A 13 HIS : no HE2:sc= -4.42! C(o=-4.4!,f=-4.4!) USER MOD Single : A 14 ASN : amide:sc= -0.0174 X(o=-0.017,f=-0.042) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -167:sc= -3.14! (180deg=-3.56!) USER MOD Single : A 19 THR OG1 : rot -122:sc= 0.291 USER MOD Single : A 20 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.71) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -139:sc= 0 (180deg=-1.24!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -3.69! C(o=-3.7!,f=-4.8!) USER MOD Single : A 31 ASN : amide:sc= -1.7! K(o=-1.7!,f=-2.8) USER MOD Single : A 36 THR OG1 : rot 72:sc= 0.269 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.4!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.642 X(o=-0.64,f=-0.16) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.065 X(o=-0.065,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.005 X(o=-0.005,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0722) USER MOD Single : A 63 GLN : amide:sc= -0.51 K(o=-0.51,f=-1.2) USER MOD Single : A 66 HIS : no HD1:sc= -0.0382 X(o=-0.038,f=-0.18) USER MOD Single : A 67 GLN : amide:sc= -0.254 K(o=-0.25,f=-1.6!) USER MOD Single : A 70 SER OG : rot -24:sc= 0.365 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.374 X(o=-0.37,f=-0.41) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 83 ASN : amide:sc= -2.02 X(o=-2,f=-2.1!) USER MOD Single : A 84 THR OG1 : rot 58:sc= -0.646! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -61:sc= 0.21 USER MOD Single : A 92 GLN : amide:sc= -0.395 X(o=-0.4,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 69.485 -24.419 -33.356 1.00 0.00 N ATOM 2 CA ARG A 1 69.108 -24.433 -31.953 1.00 0.00 C ATOM 3 C ARG A 1 69.145 -23.015 -31.380 1.00 0.00 C ATOM 4 O ARG A 1 70.066 -22.250 -31.665 1.00 0.00 O ATOM 5 CB ARG A 1 70.044 -25.329 -31.140 1.00 0.00 C ATOM 6 CG ARG A 1 69.693 -26.806 -31.331 1.00 0.00 C ATOM 7 CD ARG A 1 70.887 -27.587 -31.882 1.00 0.00 C ATOM 8 NE ARG A 1 71.587 -28.286 -30.781 1.00 0.00 N ATOM 9 CZ ARG A 1 72.369 -29.373 -30.951 1.00 0.00 C ATOM 10 NH1 ARG A 1 72.559 -29.895 -32.181 1.00 0.00 N ATOM 11 NH2 ARG A 1 72.946 -29.918 -29.896 1.00 0.00 N ATOM 0 H1 ARG A 1 70.101 -25.232 -33.558 1.00 0.00 H new ATOM 0 H2 ARG A 1 68.630 -24.477 -33.946 1.00 0.00 H new ATOM 0 H3 ARG A 1 69.994 -23.537 -33.570 1.00 0.00 H new ATOM 0 HA ARG A 1 68.095 -24.830 -31.886 1.00 0.00 H new ATOM 0 HB2 ARG A 1 71.076 -25.154 -31.445 1.00 0.00 H new ATOM 0 HB3 ARG A 1 69.975 -25.069 -30.084 1.00 0.00 H new ATOM 0 HG2 ARG A 1 69.381 -27.235 -30.379 1.00 0.00 H new ATOM 0 HG3 ARG A 1 68.848 -26.897 -32.014 1.00 0.00 H new ATOM 0 HD2 ARG A 1 70.548 -28.309 -32.625 1.00 0.00 H new ATOM 0 HD3 ARG A 1 71.574 -26.908 -32.388 1.00 0.00 H new ATOM 0 HE ARG A 1 71.471 -27.924 -29.835 1.00 0.00 H new ATOM 0 HH11 ARG A 1 72.110 -29.468 -32.991 1.00 0.00 H new ATOM 0 HH12 ARG A 1 73.152 -30.717 -32.300 1.00 0.00 H new ATOM 0 HH21 ARG A 1 72.798 -29.517 -28.970 1.00 0.00 H new ATOM 0 HH22 ARG A 1 73.540 -30.740 -30.007 1.00 0.00 H new ATOM 24 N LYS A 2 68.133 -22.706 -30.582 1.00 0.00 N ATOM 25 CA LYS A 2 68.039 -21.393 -29.967 1.00 0.00 C ATOM 26 C LYS A 2 68.646 -21.448 -28.563 1.00 0.00 C ATOM 27 O LYS A 2 68.882 -22.530 -28.027 1.00 0.00 O ATOM 28 CB LYS A 2 66.594 -20.892 -29.993 1.00 0.00 C ATOM 29 CG LYS A 2 65.699 -21.752 -29.097 1.00 0.00 C ATOM 30 CD LYS A 2 64.296 -21.887 -29.692 1.00 0.00 C ATOM 31 CE LYS A 2 63.260 -21.174 -28.820 1.00 0.00 C ATOM 32 NZ LYS A 2 62.351 -22.155 -28.188 1.00 0.00 N ATOM 0 H LYS A 2 67.371 -23.342 -30.347 1.00 0.00 H new ATOM 0 HA LYS A 2 68.615 -20.663 -30.536 1.00 0.00 H new ATOM 0 HB2 LYS A 2 66.559 -19.855 -29.660 1.00 0.00 H new ATOM 0 HB3 LYS A 2 66.217 -20.911 -31.016 1.00 0.00 H new ATOM 0 HG2 LYS A 2 66.143 -22.740 -28.975 1.00 0.00 H new ATOM 0 HG3 LYS A 2 65.636 -21.306 -28.104 1.00 0.00 H new ATOM 0 HD2 LYS A 2 64.281 -21.467 -30.698 1.00 0.00 H new ATOM 0 HD3 LYS A 2 64.036 -22.942 -29.784 1.00 0.00 H new ATOM 0 HE2 LYS A 2 63.764 -20.589 -28.051 1.00 0.00 H new ATOM 0 HE3 LYS A 2 62.685 -20.475 -29.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 61.655 -21.654 -27.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 61.856 -22.696 -28.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 62.902 -22.806 -27.593 1.00 0.00 H new ATOM 45 N LEU A 3 68.880 -20.268 -28.008 1.00 0.00 N ATOM 46 CA LEU A 3 69.455 -20.168 -26.678 1.00 0.00 C ATOM 47 C LEU A 3 69.074 -18.820 -26.062 1.00 0.00 C ATOM 48 O LEU A 3 69.861 -17.875 -26.095 1.00 0.00 O ATOM 49 CB LEU A 3 70.964 -20.419 -26.725 1.00 0.00 C ATOM 50 CG LEU A 3 71.526 -21.335 -25.637 1.00 0.00 C ATOM 51 CD1 LEU A 3 71.218 -20.785 -24.243 1.00 0.00 C ATOM 52 CD2 LEU A 3 71.020 -22.768 -25.812 1.00 0.00 C ATOM 0 H LEU A 3 68.682 -19.373 -28.455 1.00 0.00 H new ATOM 0 HA LEU A 3 69.047 -20.942 -26.028 1.00 0.00 H new ATOM 0 HB2 LEU A 3 71.211 -20.848 -27.696 1.00 0.00 H new ATOM 0 HB3 LEU A 3 71.474 -19.458 -26.662 1.00 0.00 H new ATOM 0 HG LEU A 3 72.611 -21.361 -25.740 1.00 0.00 H new ATOM 0 HD11 LEU A 3 71.629 -21.456 -23.488 1.00 0.00 H new ATOM 0 HD12 LEU A 3 71.667 -19.798 -24.134 1.00 0.00 H new ATOM 0 HD13 LEU A 3 70.139 -20.709 -24.112 1.00 0.00 H new ATOM 0 HD21 LEU A 3 71.434 -23.399 -25.026 1.00 0.00 H new ATOM 0 HD22 LEU A 3 69.932 -22.780 -25.751 1.00 0.00 H new ATOM 0 HD23 LEU A 3 71.333 -23.148 -26.785 1.00 0.00 H new ATOM 64 N GLU A 4 67.868 -18.774 -25.516 1.00 0.00 N ATOM 65 CA GLU A 4 67.374 -17.558 -24.894 1.00 0.00 C ATOM 66 C GLU A 4 66.861 -17.853 -23.483 1.00 0.00 C ATOM 67 O GLU A 4 66.213 -18.874 -23.256 1.00 0.00 O ATOM 68 CB GLU A 4 66.284 -16.909 -25.750 1.00 0.00 C ATOM 69 CG GLU A 4 66.489 -15.396 -25.844 1.00 0.00 C ATOM 70 CD GLU A 4 65.178 -14.648 -25.590 1.00 0.00 C ATOM 71 OE1 GLU A 4 64.677 -13.954 -26.487 1.00 0.00 O ATOM 72 OE2 GLU A 4 64.679 -14.808 -24.411 1.00 0.00 O ATOM 0 H GLU A 4 67.218 -19.560 -25.492 1.00 0.00 H new ATOM 0 HA GLU A 4 68.200 -16.851 -24.818 1.00 0.00 H new ATOM 0 HB2 GLU A 4 66.294 -17.344 -26.749 1.00 0.00 H new ATOM 0 HB3 GLU A 4 65.305 -17.121 -25.320 1.00 0.00 H new ATOM 0 HG2 GLU A 4 67.238 -15.081 -25.118 1.00 0.00 H new ATOM 0 HG3 GLU A 4 66.874 -15.138 -26.831 1.00 0.00 H new ATOM 80 N LEU A 5 67.169 -16.941 -22.573 1.00 0.00 N ATOM 81 CA LEU A 5 66.747 -17.091 -21.191 1.00 0.00 C ATOM 82 C LEU A 5 66.905 -15.753 -20.466 1.00 0.00 C ATOM 83 O LEU A 5 67.910 -15.065 -20.637 1.00 0.00 O ATOM 84 CB LEU A 5 67.498 -18.245 -20.523 1.00 0.00 C ATOM 85 CG LEU A 5 66.722 -19.024 -19.459 1.00 0.00 C ATOM 86 CD1 LEU A 5 66.339 -20.415 -19.969 1.00 0.00 C ATOM 87 CD2 LEU A 5 67.507 -19.090 -18.148 1.00 0.00 C ATOM 0 H LEU A 5 67.706 -16.095 -22.766 1.00 0.00 H new ATOM 0 HA LEU A 5 65.691 -17.358 -21.142 1.00 0.00 H new ATOM 0 HB2 LEU A 5 67.814 -18.943 -21.298 1.00 0.00 H new ATOM 0 HB3 LEU A 5 68.403 -17.846 -20.065 1.00 0.00 H new ATOM 0 HG LEU A 5 65.794 -18.490 -19.252 1.00 0.00 H new ATOM 0 HD11 LEU A 5 65.788 -20.948 -19.194 1.00 0.00 H new ATOM 0 HD12 LEU A 5 65.714 -20.318 -20.856 1.00 0.00 H new ATOM 0 HD13 LEU A 5 67.242 -20.972 -20.221 1.00 0.00 H new ATOM 0 HD21 LEU A 5 66.934 -19.649 -17.408 1.00 0.00 H new ATOM 0 HD22 LEU A 5 68.461 -19.588 -18.320 1.00 0.00 H new ATOM 0 HD23 LEU A 5 67.687 -18.080 -17.780 1.00 0.00 H new ATOM 99 N THR A 6 65.897 -15.425 -19.671 1.00 0.00 N ATOM 100 CA THR A 6 65.911 -14.181 -18.919 1.00 0.00 C ATOM 101 C THR A 6 66.151 -14.459 -17.434 1.00 0.00 C ATOM 102 O THR A 6 65.303 -15.046 -16.764 1.00 0.00 O ATOM 103 CB THR A 6 64.598 -13.446 -19.196 1.00 0.00 C ATOM 104 OG1 THR A 6 64.712 -12.239 -18.448 1.00 0.00 O ATOM 105 CG2 THR A 6 63.390 -14.154 -18.579 1.00 0.00 C ATOM 0 H THR A 6 65.065 -15.999 -19.531 1.00 0.00 H new ATOM 0 HA THR A 6 66.732 -13.537 -19.234 1.00 0.00 H new ATOM 0 HB THR A 6 64.454 -13.353 -20.272 1.00 0.00 H new ATOM 0 HG1 THR A 6 63.903 -11.700 -18.572 1.00 0.00 H new ATOM 0 HG21 THR A 6 62.484 -13.592 -18.805 1.00 0.00 H new ATOM 0 HG22 THR A 6 63.306 -15.159 -18.993 1.00 0.00 H new ATOM 0 HG23 THR A 6 63.518 -14.217 -17.498 1.00 0.00 H new ATOM 113 N LYS A 7 67.310 -14.024 -16.963 1.00 0.00 N ATOM 114 CA LYS A 7 67.672 -14.218 -15.569 1.00 0.00 C ATOM 115 C LYS A 7 66.685 -13.459 -14.680 1.00 0.00 C ATOM 116 O LYS A 7 66.046 -12.508 -15.126 1.00 0.00 O ATOM 117 CB LYS A 7 69.133 -13.829 -15.336 1.00 0.00 C ATOM 118 CG LYS A 7 69.386 -12.377 -15.743 1.00 0.00 C ATOM 119 CD LYS A 7 70.862 -12.009 -15.576 1.00 0.00 C ATOM 120 CE LYS A 7 71.097 -11.265 -14.260 1.00 0.00 C ATOM 121 NZ LYS A 7 72.456 -11.540 -13.745 1.00 0.00 N ATOM 0 H LYS A 7 68.011 -13.538 -17.522 1.00 0.00 H new ATOM 0 HA LYS A 7 67.599 -15.272 -15.300 1.00 0.00 H new ATOM 0 HB2 LYS A 7 69.386 -13.965 -14.284 1.00 0.00 H new ATOM 0 HB3 LYS A 7 69.784 -14.489 -15.908 1.00 0.00 H new ATOM 0 HG2 LYS A 7 69.086 -12.229 -16.780 1.00 0.00 H new ATOM 0 HG3 LYS A 7 68.771 -11.713 -15.135 1.00 0.00 H new ATOM 0 HD2 LYS A 7 71.471 -12.913 -15.600 1.00 0.00 H new ATOM 0 HD3 LYS A 7 71.182 -11.387 -16.412 1.00 0.00 H new ATOM 0 HE2 LYS A 7 70.970 -10.193 -14.414 1.00 0.00 H new ATOM 0 HE3 LYS A 7 70.354 -11.572 -13.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 72.599 -11.027 -12.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 72.565 -12.561 -13.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 73.161 -11.225 -14.441 1.00 0.00 H new ATOM 134 N ALA A 8 66.591 -13.909 -13.437 1.00 0.00 N ATOM 135 CA ALA A 8 65.692 -13.285 -12.481 1.00 0.00 C ATOM 136 C ALA A 8 66.418 -12.133 -11.782 1.00 0.00 C ATOM 137 O ALA A 8 67.050 -12.331 -10.746 1.00 0.00 O ATOM 138 CB ALA A 8 65.184 -14.338 -11.494 1.00 0.00 C ATOM 0 H ALA A 8 67.123 -14.698 -13.070 1.00 0.00 H new ATOM 0 HA ALA A 8 64.822 -12.868 -12.988 1.00 0.00 H new ATOM 0 HB1 ALA A 8 64.510 -13.869 -10.777 1.00 0.00 H new ATOM 0 HB2 ALA A 8 64.651 -15.118 -12.037 1.00 0.00 H new ATOM 0 HB3 ALA A 8 66.029 -14.777 -10.964 1.00 0.00 H new ATOM 144 N GLU A 9 66.302 -10.955 -12.378 1.00 0.00 N ATOM 145 CA GLU A 9 66.939 -9.772 -11.826 1.00 0.00 C ATOM 146 C GLU A 9 66.296 -9.398 -10.489 1.00 0.00 C ATOM 147 O GLU A 9 65.358 -8.603 -10.448 1.00 0.00 O ATOM 148 CB GLU A 9 66.875 -8.604 -12.812 1.00 0.00 C ATOM 149 CG GLU A 9 68.268 -8.254 -13.339 1.00 0.00 C ATOM 150 CD GLU A 9 69.001 -7.321 -12.373 1.00 0.00 C ATOM 151 OE1 GLU A 9 68.614 -6.152 -12.226 1.00 0.00 O ATOM 152 OE2 GLU A 9 70.007 -7.849 -11.763 1.00 0.00 O ATOM 0 H GLU A 9 65.776 -10.795 -13.237 1.00 0.00 H new ATOM 0 HA GLU A 9 67.991 -9.998 -11.650 1.00 0.00 H new ATOM 0 HB2 GLU A 9 66.221 -8.862 -13.645 1.00 0.00 H new ATOM 0 HB3 GLU A 9 66.438 -7.734 -12.322 1.00 0.00 H new ATOM 0 HG2 GLU A 9 68.848 -9.166 -13.479 1.00 0.00 H new ATOM 0 HG3 GLU A 9 68.182 -7.778 -14.316 1.00 0.00 H new ATOM 160 N LYS A 10 66.826 -9.988 -9.428 1.00 0.00 N ATOM 161 CA LYS A 10 66.315 -9.726 -8.093 1.00 0.00 C ATOM 162 C LYS A 10 64.816 -9.435 -8.173 1.00 0.00 C ATOM 163 O LYS A 10 64.363 -8.368 -7.761 1.00 0.00 O ATOM 164 CB LYS A 10 67.122 -8.615 -7.419 1.00 0.00 C ATOM 165 CG LYS A 10 68.564 -8.596 -7.930 1.00 0.00 C ATOM 166 CD LYS A 10 69.351 -7.441 -7.309 1.00 0.00 C ATOM 167 CE LYS A 10 68.962 -7.237 -5.844 1.00 0.00 C ATOM 168 NZ LYS A 10 69.849 -6.239 -5.205 1.00 0.00 N ATOM 0 H LYS A 10 67.604 -10.647 -9.465 1.00 0.00 H new ATOM 0 HA LYS A 10 66.436 -10.605 -7.460 1.00 0.00 H new ATOM 0 HB2 LYS A 10 66.652 -7.651 -7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 10 67.117 -8.761 -6.339 1.00 0.00 H new ATOM 0 HG2 LYS A 10 69.050 -9.542 -7.691 1.00 0.00 H new ATOM 0 HG3 LYS A 10 68.567 -8.501 -9.016 1.00 0.00 H new ATOM 0 HD2 LYS A 10 70.419 -7.645 -7.380 1.00 0.00 H new ATOM 0 HD3 LYS A 10 69.163 -6.525 -7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 10 67.926 -6.905 -5.780 1.00 0.00 H new ATOM 0 HE3 LYS A 10 69.027 -8.185 -5.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 69.571 -6.113 -4.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 70.834 -6.571 -5.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 69.767 -5.331 -5.705 1.00 0.00 H new ATOM 181 N HIS A 11 64.085 -10.404 -8.707 1.00 0.00 N ATOM 182 CA HIS A 11 62.646 -10.265 -8.847 1.00 0.00 C ATOM 183 C HIS A 11 61.945 -11.014 -7.711 1.00 0.00 C ATOM 184 O HIS A 11 62.538 -11.887 -7.080 1.00 0.00 O ATOM 185 CB HIS A 11 62.188 -10.726 -10.232 1.00 0.00 C ATOM 186 CG HIS A 11 61.400 -9.688 -10.995 1.00 0.00 C ATOM 187 ND1 HIS A 11 61.100 -9.813 -12.341 1.00 0.00 N ATOM 188 CD2 HIS A 11 60.852 -8.507 -10.587 1.00 0.00 C ATOM 189 CE1 HIS A 11 60.405 -8.749 -12.715 1.00 0.00 C ATOM 190 NE2 HIS A 11 60.252 -7.941 -11.627 1.00 0.00 N ATOM 0 H HIS A 11 64.463 -11.288 -9.048 1.00 0.00 H new ATOM 0 HA HIS A 11 62.369 -9.214 -8.768 1.00 0.00 H new ATOM 0 HB2 HIS A 11 63.063 -11.006 -10.818 1.00 0.00 H new ATOM 0 HB3 HIS A 11 61.578 -11.622 -10.122 1.00 0.00 H new ATOM 0 HD2 HIS A 11 60.899 -8.101 -9.587 1.00 0.00 H new ATOM 0 HE1 HIS A 11 60.026 -8.555 -13.708 1.00 0.00 H new ATOM 0 HE2 HIS A 11 59.758 -7.049 -11.615 1.00 0.00 H new ATOM 198 N VAL A 12 60.693 -10.644 -7.486 1.00 0.00 N ATOM 199 CA VAL A 12 59.906 -11.269 -6.437 1.00 0.00 C ATOM 200 C VAL A 12 58.602 -11.803 -7.034 1.00 0.00 C ATOM 201 O VAL A 12 57.724 -12.262 -6.306 1.00 0.00 O ATOM 202 CB VAL A 12 59.678 -10.280 -5.292 1.00 0.00 C ATOM 203 CG1 VAL A 12 58.367 -9.515 -5.481 1.00 0.00 C ATOM 204 CG2 VAL A 12 59.708 -10.992 -3.938 1.00 0.00 C ATOM 0 H VAL A 12 60.204 -9.920 -8.012 1.00 0.00 H new ATOM 0 HA VAL A 12 60.442 -12.118 -6.012 1.00 0.00 H new ATOM 0 HB VAL A 12 60.493 -9.556 -5.307 1.00 0.00 H new ATOM 0 HG11 VAL A 12 58.229 -8.819 -4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 12 58.401 -8.961 -6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 12 57.535 -10.219 -5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 12 59.543 -10.266 -3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 12 58.924 -11.749 -3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 12 60.678 -11.469 -3.799 1.00 0.00 H new ATOM 214 N HIS A 13 58.517 -11.724 -8.354 1.00 0.00 N ATOM 215 CA HIS A 13 57.335 -12.193 -9.057 1.00 0.00 C ATOM 216 C HIS A 13 56.082 -11.612 -8.399 1.00 0.00 C ATOM 217 O HIS A 13 55.116 -12.332 -8.150 1.00 0.00 O ATOM 218 CB HIS A 13 57.314 -13.721 -9.126 1.00 0.00 C ATOM 219 CG HIS A 13 57.380 -14.397 -7.777 1.00 0.00 C ATOM 220 ND1 HIS A 13 56.256 -14.651 -7.010 1.00 0.00 N ATOM 221 CD2 HIS A 13 58.445 -14.869 -7.068 1.00 0.00 C ATOM 222 CE1 HIS A 13 56.639 -15.249 -5.892 1.00 0.00 C ATOM 223 NE2 HIS A 13 57.996 -15.383 -5.929 1.00 0.00 N ATOM 0 H HIS A 13 59.247 -11.342 -8.955 1.00 0.00 H new ATOM 0 HA HIS A 13 57.358 -11.841 -10.088 1.00 0.00 H new ATOM 0 HB2 HIS A 13 56.405 -14.039 -9.636 1.00 0.00 H new ATOM 0 HB3 HIS A 13 58.155 -14.059 -9.732 1.00 0.00 H new ATOM 0 HD1 HIS A 13 55.296 -14.417 -7.263 1.00 0.00 H new ATOM 0 HD2 HIS A 13 59.478 -14.831 -7.380 1.00 0.00 H new ATOM 0 HE1 HIS A 13 55.991 -15.574 -5.092 1.00 0.00 H new ATOM 231 N ASN A 14 56.138 -10.314 -8.136 1.00 0.00 N ATOM 232 CA ASN A 14 55.020 -9.628 -7.511 1.00 0.00 C ATOM 233 C ASN A 14 54.527 -10.448 -6.317 1.00 0.00 C ATOM 234 O ASN A 14 53.662 -11.310 -6.465 1.00 0.00 O ATOM 235 CB ASN A 14 53.854 -9.471 -8.489 1.00 0.00 C ATOM 236 CG ASN A 14 52.953 -8.302 -8.086 1.00 0.00 C ATOM 237 OD1 ASN A 14 53.367 -7.156 -8.032 1.00 0.00 O ATOM 238 ND2 ASN A 14 51.702 -8.655 -7.806 1.00 0.00 N ATOM 0 H ASN A 14 56.940 -9.720 -8.345 1.00 0.00 H new ATOM 0 HA ASN A 14 55.363 -8.642 -7.196 1.00 0.00 H new ATOM 0 HB2 ASN A 14 54.239 -9.308 -9.496 1.00 0.00 H new ATOM 0 HB3 ASN A 14 53.271 -10.392 -8.516 1.00 0.00 H new ATOM 0 HD21 ASN A 14 51.023 -7.947 -7.526 1.00 0.00 H new ATOM 0 HD22 ASN A 14 51.421 -9.633 -7.871 1.00 0.00 H new ATOM 245 N PHE A 15 55.098 -10.150 -5.159 1.00 0.00 N ATOM 246 CA PHE A 15 54.727 -10.848 -3.940 1.00 0.00 C ATOM 247 C PHE A 15 53.933 -9.934 -3.004 1.00 0.00 C ATOM 248 O PHE A 15 53.820 -8.735 -3.251 1.00 0.00 O ATOM 249 CB PHE A 15 56.028 -11.260 -3.248 1.00 0.00 C ATOM 250 CG PHE A 15 55.927 -12.568 -2.461 1.00 0.00 C ATOM 251 CD1 PHE A 15 55.651 -13.732 -3.109 1.00 0.00 C ATOM 252 CD2 PHE A 15 56.112 -12.568 -1.113 1.00 0.00 C ATOM 253 CE1 PHE A 15 55.557 -14.946 -2.378 1.00 0.00 C ATOM 254 CE2 PHE A 15 56.018 -13.782 -0.383 1.00 0.00 C ATOM 255 CZ PHE A 15 55.742 -14.945 -1.031 1.00 0.00 C ATOM 0 H PHE A 15 55.815 -9.434 -5.039 1.00 0.00 H new ATOM 0 HA PHE A 15 54.102 -11.709 -4.179 1.00 0.00 H new ATOM 0 HB2 PHE A 15 56.811 -11.360 -3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 15 56.335 -10.463 -2.571 1.00 0.00 H new ATOM 0 HD1 PHE A 15 55.503 -13.733 -4.179 1.00 0.00 H new ATOM 0 HD2 PHE A 15 56.330 -11.644 -0.598 1.00 0.00 H new ATOM 0 HE1 PHE A 15 55.339 -15.870 -2.892 1.00 0.00 H new ATOM 0 HE2 PHE A 15 56.166 -13.782 0.687 1.00 0.00 H new ATOM 0 HZ PHE A 15 55.670 -15.868 -0.476 1.00 0.00 H new ATOM 265 N MET A 16 53.404 -10.537 -1.949 1.00 0.00 N ATOM 266 CA MET A 16 52.624 -9.792 -0.976 1.00 0.00 C ATOM 267 C MET A 16 53.534 -9.003 -0.032 1.00 0.00 C ATOM 268 O MET A 16 53.427 -9.127 1.187 1.00 0.00 O ATOM 269 CB MET A 16 51.763 -10.761 -0.163 1.00 0.00 C ATOM 270 CG MET A 16 52.628 -11.816 0.529 1.00 0.00 C ATOM 271 SD MET A 16 51.722 -12.561 1.875 1.00 0.00 S ATOM 272 CE MET A 16 52.806 -12.162 3.236 1.00 0.00 C ATOM 0 H MET A 16 53.500 -11.532 -1.747 1.00 0.00 H new ATOM 0 HA MET A 16 51.988 -9.087 -1.511 1.00 0.00 H new ATOM 0 HB2 MET A 16 51.192 -10.208 0.583 1.00 0.00 H new ATOM 0 HB3 MET A 16 51.042 -11.250 -0.818 1.00 0.00 H new ATOM 0 HG2 MET A 16 52.925 -12.581 -0.188 1.00 0.00 H new ATOM 0 HG3 MET A 16 53.543 -11.358 0.905 1.00 0.00 H new ATOM 0 HE1 MET A 16 52.388 -12.556 4.162 1.00 0.00 H new ATOM 0 HE2 MET A 16 53.786 -12.606 3.063 1.00 0.00 H new ATOM 0 HE3 MET A 16 52.907 -11.080 3.316 1.00 0.00 H new ATOM 282 N MET A 17 54.408 -8.209 -0.631 1.00 0.00 N ATOM 283 CA MET A 17 55.336 -7.399 0.140 1.00 0.00 C ATOM 284 C MET A 17 54.736 -6.028 0.456 1.00 0.00 C ATOM 285 O MET A 17 54.969 -5.476 1.530 1.00 0.00 O ATOM 286 CB MET A 17 56.635 -7.220 -0.648 1.00 0.00 C ATOM 287 CG MET A 17 57.512 -8.470 -0.551 1.00 0.00 C ATOM 288 SD MET A 17 59.181 -8.012 -0.114 1.00 0.00 S ATOM 289 CE MET A 17 60.093 -9.026 -1.266 1.00 0.00 C ATOM 0 H MET A 17 54.494 -8.109 -1.642 1.00 0.00 H new ATOM 0 HA MET A 17 55.540 -7.910 1.081 1.00 0.00 H new ATOM 0 HB2 MET A 17 56.405 -7.013 -1.693 1.00 0.00 H new ATOM 0 HB3 MET A 17 57.181 -6.358 -0.265 1.00 0.00 H new ATOM 0 HG2 MET A 17 57.106 -9.152 0.196 1.00 0.00 H new ATOM 0 HG3 MET A 17 57.509 -9.001 -1.503 1.00 0.00 H new ATOM 0 HE1 MET A 17 61.145 -9.042 -0.982 1.00 0.00 H new ATOM 0 HE2 MET A 17 59.697 -10.041 -1.250 1.00 0.00 H new ATOM 0 HE3 MET A 17 59.994 -8.614 -2.270 1.00 0.00 H new ATOM 299 N ASP A 18 53.974 -5.517 -0.500 1.00 0.00 N ATOM 300 CA ASP A 18 53.339 -4.220 -0.338 1.00 0.00 C ATOM 301 C ASP A 18 51.981 -4.404 0.341 1.00 0.00 C ATOM 302 O ASP A 18 50.940 -4.171 -0.271 1.00 0.00 O ATOM 303 CB ASP A 18 53.103 -3.549 -1.693 1.00 0.00 C ATOM 304 CG ASP A 18 52.486 -2.151 -1.623 1.00 0.00 C ATOM 305 OD1 ASP A 18 52.696 -1.407 -0.653 1.00 0.00 O ATOM 306 OD2 ASP A 18 51.751 -1.828 -2.633 1.00 0.00 O ATOM 0 H ASP A 18 53.782 -5.978 -1.390 1.00 0.00 H new ATOM 0 HA ASP A 18 53.998 -3.595 0.264 1.00 0.00 H new ATOM 0 HB2 ASP A 18 54.055 -3.484 -2.220 1.00 0.00 H new ATOM 0 HB3 ASP A 18 52.452 -4.188 -2.289 1.00 0.00 H new ATOM 312 N THR A 19 52.035 -4.821 1.598 1.00 0.00 N ATOM 313 CA THR A 19 50.822 -5.038 2.367 1.00 0.00 C ATOM 314 C THR A 19 50.916 -4.334 3.722 1.00 0.00 C ATOM 315 O THR A 19 49.992 -3.628 4.124 1.00 0.00 O ATOM 316 CB THR A 19 50.599 -6.548 2.481 1.00 0.00 C ATOM 317 OG1 THR A 19 51.892 -7.068 2.779 1.00 0.00 O ATOM 318 CG2 THR A 19 50.239 -7.189 1.140 1.00 0.00 C ATOM 0 H THR A 19 52.900 -5.014 2.103 1.00 0.00 H new ATOM 0 HA THR A 19 49.955 -4.603 1.870 1.00 0.00 H new ATOM 0 HB THR A 19 49.805 -6.745 3.202 1.00 0.00 H new ATOM 0 HG1 THR A 19 52.147 -7.722 2.096 1.00 0.00 H new ATOM 0 HG21 THR A 19 50.091 -8.260 1.277 1.00 0.00 H new ATOM 0 HG22 THR A 19 49.321 -6.742 0.758 1.00 0.00 H new ATOM 0 HG23 THR A 19 51.047 -7.022 0.428 1.00 0.00 H new ATOM 326 N GLN A 20 52.040 -4.551 4.389 1.00 0.00 N ATOM 327 CA GLN A 20 52.267 -3.946 5.691 1.00 0.00 C ATOM 328 C GLN A 20 53.515 -3.062 5.655 1.00 0.00 C ATOM 329 O GLN A 20 54.447 -3.266 6.432 1.00 0.00 O ATOM 330 CB GLN A 20 52.383 -5.015 6.779 1.00 0.00 C ATOM 331 CG GLN A 20 51.042 -5.226 7.485 1.00 0.00 C ATOM 332 CD GLN A 20 50.931 -4.342 8.729 1.00 0.00 C ATOM 333 OE1 GLN A 20 51.875 -4.163 9.481 1.00 0.00 O ATOM 334 NE2 GLN A 20 49.729 -3.802 8.904 1.00 0.00 N ATOM 0 H GLN A 20 52.804 -5.137 4.052 1.00 0.00 H new ATOM 0 HA GLN A 20 51.409 -3.319 5.934 1.00 0.00 H new ATOM 0 HB2 GLN A 20 52.717 -5.954 6.337 1.00 0.00 H new ATOM 0 HB3 GLN A 20 53.138 -4.718 7.507 1.00 0.00 H new ATOM 0 HG2 GLN A 20 50.226 -4.998 6.799 1.00 0.00 H new ATOM 0 HG3 GLN A 20 50.937 -6.273 7.768 1.00 0.00 H new ATOM 0 HE21 GLN A 20 48.982 -3.993 8.236 1.00 0.00 H new ATOM 0 HE22 GLN A 20 49.554 -3.197 9.706 1.00 0.00 H new ATOM 343 N LEU A 21 53.493 -2.099 4.745 1.00 0.00 N ATOM 344 CA LEU A 21 54.611 -1.183 4.598 1.00 0.00 C ATOM 345 C LEU A 21 54.191 -0.011 3.709 1.00 0.00 C ATOM 346 O LEU A 21 54.001 -0.177 2.505 1.00 0.00 O ATOM 347 CB LEU A 21 55.849 -1.926 4.091 1.00 0.00 C ATOM 348 CG LEU A 21 55.906 -2.184 2.584 1.00 0.00 C ATOM 349 CD1 LEU A 21 56.535 -0.999 1.848 1.00 0.00 C ATOM 350 CD2 LEU A 21 56.631 -3.497 2.279 1.00 0.00 C ATOM 0 H LEU A 21 52.718 -1.933 4.102 1.00 0.00 H new ATOM 0 HA LEU A 21 54.891 -0.766 5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 21 56.733 -1.355 4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 21 55.909 -2.885 4.606 1.00 0.00 H new ATOM 0 HG LEU A 21 54.885 -2.287 2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 21 56.563 -1.208 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 21 55.941 -0.103 2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 21 57.550 -0.841 2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 21 56.657 -3.656 1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 21 57.650 -3.448 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 21 56.103 -4.323 2.755 1.00 0.00 H new ATOM 362 N THR A 22 54.059 1.148 4.337 1.00 0.00 N ATOM 363 CA THR A 22 53.665 2.348 3.618 1.00 0.00 C ATOM 364 C THR A 22 52.616 2.013 2.556 1.00 0.00 C ATOM 365 O THR A 22 52.959 1.694 1.419 1.00 0.00 O ATOM 366 CB THR A 22 54.929 2.991 3.043 1.00 0.00 C ATOM 367 OG1 THR A 22 55.927 2.738 4.028 1.00 0.00 O ATOM 368 CG2 THR A 22 54.837 4.517 2.990 1.00 0.00 C ATOM 0 H THR A 22 54.218 1.282 5.336 1.00 0.00 H new ATOM 0 HA THR A 22 53.190 3.069 4.283 1.00 0.00 H new ATOM 0 HB THR A 22 55.109 2.603 2.041 1.00 0.00 H new ATOM 0 HG1 THR A 22 56.780 3.120 3.735 1.00 0.00 H new ATOM 0 HG21 THR A 22 55.759 4.923 2.574 1.00 0.00 H new ATOM 0 HG22 THR A 22 53.996 4.809 2.361 1.00 0.00 H new ATOM 0 HG23 THR A 22 54.690 4.908 3.997 1.00 0.00 H new ATOM 376 N LYS A 23 51.359 2.097 2.965 1.00 0.00 N ATOM 377 CA LYS A 23 50.257 1.807 2.063 1.00 0.00 C ATOM 378 C LYS A 23 50.088 2.969 1.082 1.00 0.00 C ATOM 379 O LYS A 23 51.057 3.415 0.470 1.00 0.00 O ATOM 380 CB LYS A 23 48.989 1.481 2.854 1.00 0.00 C ATOM 381 CG LYS A 23 48.538 2.682 3.688 1.00 0.00 C ATOM 382 CD LYS A 23 48.758 2.426 5.180 1.00 0.00 C ATOM 383 CE LYS A 23 47.820 1.332 5.694 1.00 0.00 C ATOM 384 NZ LYS A 23 47.596 1.482 7.149 1.00 0.00 N ATOM 0 H LYS A 23 51.079 2.362 3.909 1.00 0.00 H new ATOM 0 HA LYS A 23 50.473 0.918 1.471 1.00 0.00 H new ATOM 0 HB2 LYS A 23 48.193 1.191 2.168 1.00 0.00 H new ATOM 0 HB3 LYS A 23 49.173 0.628 3.508 1.00 0.00 H new ATOM 0 HG2 LYS A 23 49.091 3.570 3.382 1.00 0.00 H new ATOM 0 HG3 LYS A 23 47.483 2.883 3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 23 49.793 2.133 5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 23 48.589 3.346 5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 23 46.868 1.384 5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 23 48.247 0.351 5.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 47.607 0.545 7.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 48.349 2.072 7.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 46.674 1.934 7.313 1.00 0.00 H new ATOM 397 N ARG A 24 48.850 3.425 0.962 1.00 0.00 N ATOM 398 CA ARG A 24 48.541 4.526 0.066 1.00 0.00 C ATOM 399 C ARG A 24 47.240 5.208 0.491 1.00 0.00 C ATOM 400 O ARG A 24 46.597 4.784 1.450 1.00 0.00 O ATOM 401 CB ARG A 24 48.405 4.038 -1.378 1.00 0.00 C ATOM 402 CG ARG A 24 47.578 2.753 -1.447 1.00 0.00 C ATOM 403 CD ARG A 24 48.428 1.580 -1.938 1.00 0.00 C ATOM 404 NE ARG A 24 48.193 1.353 -3.381 1.00 0.00 N ATOM 405 CZ ARG A 24 48.401 0.174 -4.006 1.00 0.00 C ATOM 406 NH1 ARG A 24 48.852 -0.896 -3.318 1.00 0.00 N ATOM 407 NH2 ARG A 24 48.157 0.084 -5.300 1.00 0.00 N ATOM 0 H ARG A 24 48.049 3.052 1.471 1.00 0.00 H new ATOM 0 HA ARG A 24 49.363 5.239 0.121 1.00 0.00 H new ATOM 0 HB2 ARG A 24 47.933 4.811 -1.984 1.00 0.00 H new ATOM 0 HB3 ARG A 24 49.394 3.861 -1.801 1.00 0.00 H new ATOM 0 HG2 ARG A 24 47.171 2.525 -0.462 1.00 0.00 H new ATOM 0 HG3 ARG A 24 46.730 2.898 -2.116 1.00 0.00 H new ATOM 0 HD2 ARG A 24 49.484 1.786 -1.761 1.00 0.00 H new ATOM 0 HD3 ARG A 24 48.180 0.680 -1.375 1.00 0.00 H new ATOM 0 HE ARG A 24 47.853 2.136 -3.939 1.00 0.00 H new ATOM 0 HH11 ARG A 24 49.038 -0.818 -2.318 1.00 0.00 H new ATOM 0 HH12 ARG A 24 49.006 -1.783 -3.798 1.00 0.00 H new ATOM 0 HH21 ARG A 24 47.817 0.898 -5.813 1.00 0.00 H new ATOM 0 HH22 ARG A 24 48.309 -0.799 -5.787 1.00 0.00 H new ATOM 420 N VAL A 25 46.891 6.255 -0.242 1.00 0.00 N ATOM 421 CA VAL A 25 45.677 7.000 0.047 1.00 0.00 C ATOM 422 C VAL A 25 45.509 7.122 1.563 1.00 0.00 C ATOM 423 O VAL A 25 44.654 6.462 2.151 1.00 0.00 O ATOM 424 CB VAL A 25 44.480 6.337 -0.636 1.00 0.00 C ATOM 425 CG1 VAL A 25 44.613 4.813 -0.617 1.00 0.00 C ATOM 426 CG2 VAL A 25 43.165 6.781 0.008 1.00 0.00 C ATOM 0 H VAL A 25 47.428 6.605 -1.036 1.00 0.00 H new ATOM 0 HA VAL A 25 45.744 8.011 -0.356 1.00 0.00 H new ATOM 0 HB VAL A 25 44.468 6.659 -1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 25 43.749 4.366 -1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 25 45.522 4.520 -1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 25 44.663 4.465 0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 25 42.330 6.295 -0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 25 43.164 6.503 1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 25 43.063 7.863 -0.082 1.00 0.00 H new ATOM 436 N LYS A 26 46.337 7.972 2.152 1.00 0.00 N ATOM 437 CA LYS A 26 46.290 8.189 3.588 1.00 0.00 C ATOM 438 C LYS A 26 46.762 6.923 4.306 1.00 0.00 C ATOM 439 O LYS A 26 47.861 6.891 4.858 1.00 0.00 O ATOM 440 CB LYS A 26 44.897 8.655 4.014 1.00 0.00 C ATOM 441 CG LYS A 26 44.553 10.005 3.383 1.00 0.00 C ATOM 442 CD LYS A 26 43.700 9.822 2.126 1.00 0.00 C ATOM 443 CE LYS A 26 43.052 11.142 1.705 1.00 0.00 C ATOM 444 NZ LYS A 26 42.514 11.041 0.330 1.00 0.00 N ATOM 0 H LYS A 26 47.044 8.519 1.661 1.00 0.00 H new ATOM 0 HA LYS A 26 46.970 8.991 3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 26 44.155 7.912 3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 26 44.853 8.736 5.100 1.00 0.00 H new ATOM 0 HG2 LYS A 26 44.016 10.621 4.104 1.00 0.00 H new ATOM 0 HG3 LYS A 26 45.470 10.536 3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 26 44.320 9.442 1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 26 42.927 9.077 2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 26 42.250 11.397 2.398 1.00 0.00 H new ATOM 0 HE3 LYS A 26 43.786 11.947 1.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 42.078 11.946 0.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 43.287 10.819 -0.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 41.799 10.287 0.292 1.00 0.00 H new ATOM 457 N ASN A 27 45.908 5.911 4.277 1.00 0.00 N ATOM 458 CA ASN A 27 46.224 4.646 4.918 1.00 0.00 C ATOM 459 C ASN A 27 45.289 3.560 4.382 1.00 0.00 C ATOM 460 O ASN A 27 44.598 2.895 5.152 1.00 0.00 O ATOM 461 CB ASN A 27 46.027 4.733 6.433 1.00 0.00 C ATOM 462 CG ASN A 27 46.214 6.168 6.929 1.00 0.00 C ATOM 463 OD1 ASN A 27 47.316 6.628 7.178 1.00 0.00 O ATOM 464 ND2 ASN A 27 45.078 6.848 7.058 1.00 0.00 N ATOM 0 H ASN A 27 44.997 5.941 3.819 1.00 0.00 H new ATOM 0 HA ASN A 27 47.266 4.409 4.702 1.00 0.00 H new ATOM 0 HB2 ASN A 27 45.029 4.381 6.694 1.00 0.00 H new ATOM 0 HB3 ASN A 27 46.738 4.076 6.934 1.00 0.00 H new ATOM 0 HD21 ASN A 27 45.096 7.815 7.383 1.00 0.00 H new ATOM 0 HD22 ASN A 27 44.189 6.403 6.832 1.00 0.00 H new ATOM 471 N ALA A 28 45.299 3.413 3.065 1.00 0.00 N ATOM 472 CA ALA A 28 44.462 2.419 2.416 1.00 0.00 C ATOM 473 C ALA A 28 43.034 2.957 2.304 1.00 0.00 C ATOM 474 O ALA A 28 42.162 2.299 1.738 1.00 0.00 O ATOM 475 CB ALA A 28 44.530 1.105 3.198 1.00 0.00 C ATOM 0 H ALA A 28 45.874 3.966 2.430 1.00 0.00 H new ATOM 0 HA ALA A 28 44.819 2.216 1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 28 43.902 0.359 2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.560 0.750 3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.176 1.269 4.216 1.00 0.00 H new ATOM 481 N ALA A 29 42.839 4.147 2.852 1.00 0.00 N ATOM 482 CA ALA A 29 41.532 4.781 2.820 1.00 0.00 C ATOM 483 C ALA A 29 40.697 4.277 3.999 1.00 0.00 C ATOM 484 O ALA A 29 39.484 4.111 3.880 1.00 0.00 O ATOM 485 CB ALA A 29 40.862 4.504 1.472 1.00 0.00 C ATOM 0 H ALA A 29 43.565 4.689 3.321 1.00 0.00 H new ATOM 0 HA ALA A 29 41.628 5.862 2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 29 39.882 4.980 1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 29 41.480 4.906 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 29 40.747 3.429 1.337 1.00 0.00 H new ATOM 491 N ALA A 30 41.380 4.050 5.112 1.00 0.00 N ATOM 492 CA ALA A 30 40.717 3.569 6.312 1.00 0.00 C ATOM 493 C ALA A 30 39.468 4.413 6.572 1.00 0.00 C ATOM 494 O ALA A 30 39.564 5.532 7.072 1.00 0.00 O ATOM 495 CB ALA A 30 41.698 3.602 7.486 1.00 0.00 C ATOM 0 H ALA A 30 42.386 4.190 5.208 1.00 0.00 H new ATOM 0 HA ALA A 30 40.396 2.535 6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 30 41.200 3.241 8.386 1.00 0.00 H new ATOM 0 HB2 ALA A 30 42.553 2.964 7.264 1.00 0.00 H new ATOM 0 HB3 ALA A 30 42.040 4.625 7.646 1.00 0.00 H new ATOM 501 N ASN A 31 38.324 3.844 6.221 1.00 0.00 N ATOM 502 CA ASN A 31 37.057 4.530 6.410 1.00 0.00 C ATOM 503 C ASN A 31 37.124 5.907 5.746 1.00 0.00 C ATOM 504 O ASN A 31 36.347 6.800 6.080 1.00 0.00 O ATOM 505 CB ASN A 31 36.759 4.737 7.896 1.00 0.00 C ATOM 506 CG ASN A 31 36.853 3.416 8.663 1.00 0.00 C ATOM 507 OD1 ASN A 31 36.951 2.342 8.092 1.00 0.00 O ATOM 508 ND2 ASN A 31 36.818 3.554 9.985 1.00 0.00 N ATOM 0 H ASN A 31 38.248 2.915 5.807 1.00 0.00 H new ATOM 0 HA ASN A 31 36.272 3.917 5.966 1.00 0.00 H new ATOM 0 HB2 ASN A 31 37.463 5.456 8.315 1.00 0.00 H new ATOM 0 HB3 ASN A 31 35.762 5.161 8.015 1.00 0.00 H new ATOM 0 HD21 ASN A 31 36.874 2.731 10.585 1.00 0.00 H new ATOM 0 HD22 ASN A 31 36.735 4.483 10.399 1.00 0.00 H new ATOM 515 N VAL A 32 38.059 6.035 4.816 1.00 0.00 N ATOM 516 CA VAL A 32 38.237 7.288 4.102 1.00 0.00 C ATOM 517 C VAL A 32 38.197 8.448 5.098 1.00 0.00 C ATOM 518 O VAL A 32 37.896 9.581 4.726 1.00 0.00 O ATOM 519 CB VAL A 32 37.188 7.413 2.996 1.00 0.00 C ATOM 520 CG1 VAL A 32 37.031 6.094 2.237 1.00 0.00 C ATOM 521 CG2 VAL A 32 35.847 7.883 3.563 1.00 0.00 C ATOM 0 H VAL A 32 38.701 5.292 4.540 1.00 0.00 H new ATOM 0 HA VAL A 32 39.211 7.314 3.613 1.00 0.00 H new ATOM 0 HB VAL A 32 37.535 8.166 2.289 1.00 0.00 H new ATOM 0 HG11 VAL A 32 36.279 6.211 1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 32 37.984 5.819 1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 32 36.718 5.312 2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 32 35.119 7.964 2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 32 35.492 7.164 4.301 1.00 0.00 H new ATOM 0 HG23 VAL A 32 35.973 8.857 4.036 1.00 0.00 H new ATOM 531 N LEU A 33 38.506 8.126 6.346 1.00 0.00 N ATOM 532 CA LEU A 33 38.509 9.127 7.399 1.00 0.00 C ATOM 533 C LEU A 33 37.070 9.560 7.689 1.00 0.00 C ATOM 534 O LEU A 33 36.590 9.416 8.813 1.00 0.00 O ATOM 535 CB LEU A 33 39.437 10.287 7.032 1.00 0.00 C ATOM 536 CG LEU A 33 40.789 10.316 7.749 1.00 0.00 C ATOM 537 CD1 LEU A 33 40.604 10.404 9.265 1.00 0.00 C ATOM 538 CD2 LEU A 33 41.650 9.118 7.345 1.00 0.00 C ATOM 0 H LEU A 33 38.756 7.185 6.651 1.00 0.00 H new ATOM 0 HA LEU A 33 38.909 8.708 8.322 1.00 0.00 H new ATOM 0 HB2 LEU A 33 39.618 10.256 5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 33 38.917 11.222 7.240 1.00 0.00 H new ATOM 0 HG LEU A 33 41.322 11.214 7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 33 41.580 10.423 9.750 1.00 0.00 H new ATOM 0 HD12 LEU A 33 40.058 11.314 9.513 1.00 0.00 H new ATOM 0 HD13 LEU A 33 40.042 9.537 9.614 1.00 0.00 H new ATOM 0 HD21 LEU A 33 42.605 9.163 7.869 1.00 0.00 H new ATOM 0 HD22 LEU A 33 41.135 8.194 7.609 1.00 0.00 H new ATOM 0 HD23 LEU A 33 41.825 9.142 6.269 1.00 0.00 H new ATOM 550 N ARG A 34 36.422 10.081 6.658 1.00 0.00 N ATOM 551 CA ARG A 34 35.048 10.535 6.788 1.00 0.00 C ATOM 552 C ARG A 34 34.137 9.366 7.167 1.00 0.00 C ATOM 553 O ARG A 34 33.281 9.499 8.040 1.00 0.00 O ATOM 554 CB ARG A 34 34.549 11.161 5.485 1.00 0.00 C ATOM 555 CG ARG A 34 34.000 12.568 5.727 1.00 0.00 C ATOM 556 CD ARG A 34 35.127 13.603 5.733 1.00 0.00 C ATOM 557 NE ARG A 34 34.562 14.967 5.644 1.00 0.00 N ATOM 558 CZ ARG A 34 34.223 15.573 4.486 1.00 0.00 C ATOM 559 NH1 ARG A 34 34.391 14.938 3.307 1.00 0.00 N ATOM 560 NH2 ARG A 34 33.726 16.795 4.524 1.00 0.00 N ATOM 0 H ARG A 34 36.823 10.199 5.728 1.00 0.00 H new ATOM 0 HA ARG A 34 35.021 11.290 7.573 1.00 0.00 H new ATOM 0 HB2 ARG A 34 35.364 11.204 4.763 1.00 0.00 H new ATOM 0 HB3 ARG A 34 33.771 10.533 5.050 1.00 0.00 H new ATOM 0 HG2 ARG A 34 33.276 12.818 4.952 1.00 0.00 H new ATOM 0 HG3 ARG A 34 33.470 12.597 6.679 1.00 0.00 H new ATOM 0 HD2 ARG A 34 35.718 13.504 6.644 1.00 0.00 H new ATOM 0 HD3 ARG A 34 35.801 13.424 4.895 1.00 0.00 H new ATOM 0 HE ARG A 34 34.419 15.483 6.512 1.00 0.00 H new ATOM 0 HH11 ARG A 34 34.776 13.994 3.287 1.00 0.00 H new ATOM 0 HH12 ARG A 34 34.133 15.402 2.436 1.00 0.00 H new ATOM 0 HH21 ARG A 34 33.603 17.268 5.419 1.00 0.00 H new ATOM 0 HH22 ARG A 34 33.465 17.267 3.658 1.00 0.00 H new ATOM 573 N GLU A 35 34.352 8.246 6.491 1.00 0.00 N ATOM 574 CA GLU A 35 33.560 7.055 6.745 1.00 0.00 C ATOM 575 C GLU A 35 32.089 7.313 6.411 1.00 0.00 C ATOM 576 O GLU A 35 31.236 7.297 7.297 1.00 0.00 O ATOM 577 CB GLU A 35 33.719 6.590 8.194 1.00 0.00 C ATOM 578 CG GLU A 35 34.939 7.242 8.848 1.00 0.00 C ATOM 579 CD GLU A 35 35.444 6.404 10.025 1.00 0.00 C ATOM 580 OE1 GLU A 35 34.994 5.264 10.212 1.00 0.00 O ATOM 581 OE2 GLU A 35 36.336 6.978 10.759 1.00 0.00 O ATOM 0 H GLU A 35 35.063 8.139 5.768 1.00 0.00 H new ATOM 0 HA GLU A 35 33.924 6.256 6.099 1.00 0.00 H new ATOM 0 HB2 GLU A 35 32.822 6.839 8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 35 33.823 5.505 8.222 1.00 0.00 H new ATOM 0 HG2 GLU A 35 35.734 7.356 8.111 1.00 0.00 H new ATOM 0 HG3 GLU A 35 34.679 8.242 9.194 1.00 0.00 H new ATOM 589 N THR A 36 31.839 7.546 5.131 1.00 0.00 N ATOM 590 CA THR A 36 30.486 7.808 4.669 1.00 0.00 C ATOM 591 C THR A 36 29.815 6.508 4.220 1.00 0.00 C ATOM 592 O THR A 36 28.589 6.413 4.197 1.00 0.00 O ATOM 593 CB THR A 36 30.559 8.866 3.567 1.00 0.00 C ATOM 594 OG1 THR A 36 31.670 8.461 2.770 1.00 0.00 O ATOM 595 CG2 THR A 36 30.965 10.241 4.101 1.00 0.00 C ATOM 0 H THR A 36 32.550 7.559 4.400 1.00 0.00 H new ATOM 0 HA THR A 36 29.862 8.198 5.473 1.00 0.00 H new ATOM 0 HB THR A 36 29.591 8.941 3.071 1.00 0.00 H new ATOM 0 HG1 THR A 36 31.432 7.657 2.262 1.00 0.00 H new ATOM 0 HG21 THR A 36 31.002 10.955 3.278 1.00 0.00 H new ATOM 0 HG22 THR A 36 30.235 10.575 4.839 1.00 0.00 H new ATOM 0 HG23 THR A 36 31.948 10.174 4.568 1.00 0.00 H new ATOM 603 N TRP A 37 30.649 5.538 3.873 1.00 0.00 N ATOM 604 CA TRP A 37 30.152 4.248 3.426 1.00 0.00 C ATOM 605 C TRP A 37 30.075 3.324 4.643 1.00 0.00 C ATOM 606 O TRP A 37 29.598 2.194 4.540 1.00 0.00 O ATOM 607 CB TRP A 37 31.023 3.685 2.302 1.00 0.00 C ATOM 608 CG TRP A 37 32.004 4.698 1.707 1.00 0.00 C ATOM 609 CD1 TRP A 37 33.298 4.868 2.008 1.00 0.00 C ATOM 610 CD2 TRP A 37 31.713 5.680 0.690 1.00 0.00 C ATOM 611 NE1 TRP A 37 33.861 5.884 1.262 1.00 0.00 N ATOM 612 CE2 TRP A 37 32.867 6.393 0.435 1.00 0.00 C ATOM 613 CE3 TRP A 37 30.516 5.956 0.007 1.00 0.00 C ATOM 614 CZ2 TRP A 37 32.937 7.429 -0.504 1.00 0.00 C ATOM 615 CZ3 TRP A 37 30.602 6.994 -0.929 1.00 0.00 C ATOM 616 CH2 TRP A 37 31.755 7.722 -1.196 1.00 0.00 C ATOM 0 H TRP A 37 31.666 5.620 3.893 1.00 0.00 H new ATOM 0 HA TRP A 37 29.154 4.346 2.999 1.00 0.00 H new ATOM 0 HB2 TRP A 37 31.584 2.832 2.684 1.00 0.00 H new ATOM 0 HB3 TRP A 37 30.377 3.311 1.508 1.00 0.00 H new ATOM 0 HD1 TRP A 37 33.833 4.284 2.742 1.00 0.00 H new ATOM 0 HE1 TRP A 37 34.829 6.203 1.309 1.00 0.00 H new ATOM 0 HE3 TRP A 37 29.602 5.411 0.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 33.852 7.973 -0.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 29.709 7.246 -1.482 1.00 0.00 H new ATOM 0 HH2 TRP A 37 31.740 8.510 -1.934 1.00 0.00 H new ATOM 627 N LEU A 38 30.551 3.837 5.768 1.00 0.00 N ATOM 628 CA LEU A 38 30.542 3.072 7.003 1.00 0.00 C ATOM 629 C LEU A 38 29.271 3.397 7.790 1.00 0.00 C ATOM 630 O LEU A 38 28.795 2.577 8.574 1.00 0.00 O ATOM 631 CB LEU A 38 31.831 3.311 7.791 1.00 0.00 C ATOM 632 CG LEU A 38 33.125 2.848 7.117 1.00 0.00 C ATOM 633 CD1 LEU A 38 32.923 1.509 6.406 1.00 0.00 C ATOM 634 CD2 LEU A 38 33.667 3.923 6.173 1.00 0.00 C ATOM 0 H LEU A 38 30.946 4.774 5.850 1.00 0.00 H new ATOM 0 HA LEU A 38 30.520 2.003 6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.914 4.378 7.998 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.745 2.805 8.753 1.00 0.00 H new ATOM 0 HG LEU A 38 33.877 2.692 7.891 1.00 0.00 H new ATOM 0 HD11 LEU A 38 33.857 1.202 5.935 1.00 0.00 H new ATOM 0 HD12 LEU A 38 32.617 0.755 7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.151 1.614 5.644 1.00 0.00 H new ATOM 0 HD21 LEU A 38 34.587 3.568 5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.928 4.135 5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.873 4.832 6.737 1.00 0.00 H new ATOM 646 N ILE A 39 28.756 4.595 7.553 1.00 0.00 N ATOM 647 CA ILE A 39 27.550 5.038 8.230 1.00 0.00 C ATOM 648 C ILE A 39 26.326 4.516 7.475 1.00 0.00 C ATOM 649 O ILE A 39 25.263 4.326 8.064 1.00 0.00 O ATOM 650 CB ILE A 39 27.562 6.558 8.406 1.00 0.00 C ATOM 651 CG1 ILE A 39 27.988 7.257 7.113 1.00 0.00 C ATOM 652 CG2 ILE A 39 28.437 6.966 9.593 1.00 0.00 C ATOM 653 CD1 ILE A 39 27.559 8.725 7.116 1.00 0.00 C ATOM 0 H ILE A 39 29.153 5.272 6.901 1.00 0.00 H new ATOM 0 HA ILE A 39 27.504 4.624 9.237 1.00 0.00 H new ATOM 0 HB ILE A 39 26.546 6.884 8.628 1.00 0.00 H new ATOM 0 HG12 ILE A 39 29.070 7.191 6.999 1.00 0.00 H new ATOM 0 HG13 ILE A 39 27.546 6.747 6.257 1.00 0.00 H new ATOM 0 HG21 ILE A 39 28.428 8.051 9.696 1.00 0.00 H new ATOM 0 HG22 ILE A 39 28.048 6.512 10.505 1.00 0.00 H new ATOM 0 HG23 ILE A 39 29.459 6.626 9.426 1.00 0.00 H new ATOM 0 HD11 ILE A 39 27.874 9.198 6.186 1.00 0.00 H new ATOM 0 HD12 ILE A 39 26.474 8.787 7.205 1.00 0.00 H new ATOM 0 HD13 ILE A 39 28.022 9.238 7.959 1.00 0.00 H new ATOM 665 N TYR A 40 26.516 4.300 6.181 1.00 0.00 N ATOM 666 CA TYR A 40 25.440 3.804 5.340 1.00 0.00 C ATOM 667 C TYR A 40 24.158 4.610 5.557 1.00 0.00 C ATOM 668 O TYR A 40 24.164 5.614 6.268 1.00 0.00 O ATOM 669 CB TYR A 40 25.199 2.357 5.773 1.00 0.00 C ATOM 670 CG TYR A 40 25.754 1.315 4.800 1.00 0.00 C ATOM 671 CD1 TYR A 40 25.469 1.409 3.453 1.00 0.00 C ATOM 672 CD2 TYR A 40 26.540 0.282 5.269 1.00 0.00 C ATOM 673 CE1 TYR A 40 25.992 0.428 2.537 1.00 0.00 C ATOM 674 CE2 TYR A 40 27.062 -0.699 4.353 1.00 0.00 C ATOM 675 CZ TYR A 40 26.762 -0.577 3.032 1.00 0.00 C ATOM 676 OH TYR A 40 27.256 -1.503 2.167 1.00 0.00 O ATOM 0 H TYR A 40 27.399 4.459 5.695 1.00 0.00 H new ATOM 0 HA TYR A 40 25.708 3.886 4.287 1.00 0.00 H new ATOM 0 HB2 TYR A 40 25.651 2.202 6.752 1.00 0.00 H new ATOM 0 HB3 TYR A 40 24.127 2.197 5.888 1.00 0.00 H new ATOM 0 HD1 TYR A 40 24.854 2.218 3.086 1.00 0.00 H new ATOM 0 HD2 TYR A 40 26.764 0.209 6.323 1.00 0.00 H new ATOM 0 HE1 TYR A 40 25.777 0.490 1.480 1.00 0.00 H new ATOM 0 HE2 TYR A 40 27.678 -1.513 4.707 1.00 0.00 H new ATOM 0 HH TYR A 40 27.789 -2.161 2.661 1.00 0.00 H new ATOM 686 N LYS A 41 23.088 4.139 4.932 1.00 0.00 N ATOM 687 CA LYS A 41 21.801 4.803 5.048 1.00 0.00 C ATOM 688 C LYS A 41 20.709 3.755 5.269 1.00 0.00 C ATOM 689 O LYS A 41 21.006 2.583 5.499 1.00 0.00 O ATOM 690 CB LYS A 41 21.552 5.705 3.837 1.00 0.00 C ATOM 691 CG LYS A 41 22.096 7.114 4.082 1.00 0.00 C ATOM 692 CD LYS A 41 23.358 7.366 3.254 1.00 0.00 C ATOM 693 CE LYS A 41 23.692 8.858 3.204 1.00 0.00 C ATOM 694 NZ LYS A 41 23.230 9.450 1.928 1.00 0.00 N ATOM 0 H LYS A 41 23.087 3.306 4.344 1.00 0.00 H new ATOM 0 HA LYS A 41 21.790 5.463 5.915 1.00 0.00 H new ATOM 0 HB2 LYS A 41 22.028 5.276 2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 41 20.483 5.755 3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 41 21.335 7.851 3.825 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.320 7.242 5.141 1.00 0.00 H new ATOM 0 HD2 LYS A 41 24.195 6.816 3.684 1.00 0.00 H new ATOM 0 HD3 LYS A 41 23.215 6.988 2.242 1.00 0.00 H new ATOM 0 HE2 LYS A 41 23.220 9.371 4.042 1.00 0.00 H new ATOM 0 HE3 LYS A 41 24.768 9.000 3.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 23.464 10.463 1.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 23.700 8.972 1.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 22.200 9.331 1.843 1.00 0.00 H new ATOM 707 N ASN A 42 19.469 4.213 5.191 1.00 0.00 N ATOM 708 CA ASN A 42 18.331 3.329 5.379 1.00 0.00 C ATOM 709 C ASN A 42 17.184 3.781 4.473 1.00 0.00 C ATOM 710 O ASN A 42 16.388 4.638 4.853 1.00 0.00 O ATOM 711 CB ASN A 42 17.835 3.371 6.826 1.00 0.00 C ATOM 712 CG ASN A 42 18.480 2.262 7.659 1.00 0.00 C ATOM 713 OD1 ASN A 42 18.766 1.176 7.181 1.00 0.00 O ATOM 714 ND2 ASN A 42 18.694 2.594 8.929 1.00 0.00 N ATOM 0 H ASN A 42 19.227 5.185 5.000 1.00 0.00 H new ATOM 0 HA ASN A 42 18.648 2.315 5.135 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.066 4.342 7.265 1.00 0.00 H new ATOM 0 HB3 ASN A 42 16.751 3.262 6.846 1.00 0.00 H new ATOM 0 HD21 ASN A 42 19.121 1.922 9.567 1.00 0.00 H new ATOM 0 HD22 ASN A 42 18.431 3.520 9.265 1.00 0.00 H new ATOM 721 N THR A 43 17.137 3.184 3.290 1.00 0.00 N ATOM 722 CA THR A 43 16.100 3.515 2.327 1.00 0.00 C ATOM 723 C THR A 43 15.795 5.013 2.365 1.00 0.00 C ATOM 724 O THR A 43 16.641 5.813 2.761 1.00 0.00 O ATOM 725 CB THR A 43 14.882 2.639 2.624 1.00 0.00 C ATOM 726 OG1 THR A 43 15.441 1.402 3.059 1.00 0.00 O ATOM 727 CG2 THR A 43 14.102 2.271 1.359 1.00 0.00 C ATOM 0 H THR A 43 17.799 2.474 2.977 1.00 0.00 H new ATOM 0 HA THR A 43 16.426 3.308 1.308 1.00 0.00 H new ATOM 0 HB THR A 43 14.222 3.159 3.319 1.00 0.00 H new ATOM 0 HG1 THR A 43 14.720 0.775 3.275 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.248 1.649 1.626 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.750 3.180 0.871 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.752 1.722 0.678 1.00 0.00 H new ATOM 735 N LYS A 44 14.583 5.349 1.947 1.00 0.00 N ATOM 736 CA LYS A 44 14.156 6.737 1.928 1.00 0.00 C ATOM 737 C LYS A 44 13.573 7.106 3.294 1.00 0.00 C ATOM 738 O LYS A 44 12.422 6.786 3.588 1.00 0.00 O ATOM 739 CB LYS A 44 13.196 6.987 0.762 1.00 0.00 C ATOM 740 CG LYS A 44 13.903 6.794 -0.581 1.00 0.00 C ATOM 741 CD LYS A 44 12.915 6.914 -1.743 1.00 0.00 C ATOM 742 CE LYS A 44 11.980 5.704 -1.796 1.00 0.00 C ATOM 743 NZ LYS A 44 11.191 5.713 -3.047 1.00 0.00 N ATOM 0 H LYS A 44 13.883 4.683 1.619 1.00 0.00 H new ATOM 0 HA LYS A 44 15.008 7.395 1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.348 6.306 0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.797 8.000 0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.692 7.538 -0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.383 5.815 -0.606 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.329 7.826 -1.634 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.462 6.997 -2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.562 4.784 -1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.310 5.717 -0.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.562 4.885 -3.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.621 6.582 -3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.834 5.678 -3.863 1.00 0.00 H new ATOM 756 N LEU A 45 14.394 7.773 4.091 1.00 0.00 N ATOM 757 CA LEU A 45 13.975 8.188 5.419 1.00 0.00 C ATOM 758 C LEU A 45 13.660 9.686 5.404 1.00 0.00 C ATOM 759 O LEU A 45 14.281 10.461 6.130 1.00 0.00 O ATOM 760 CB LEU A 45 15.022 7.790 6.460 1.00 0.00 C ATOM 761 CG LEU A 45 16.384 8.477 6.339 1.00 0.00 C ATOM 762 CD1 LEU A 45 16.642 9.398 7.533 1.00 0.00 C ATOM 763 CD2 LEU A 45 17.502 7.449 6.156 1.00 0.00 C ATOM 0 H LEU A 45 15.348 8.037 3.843 1.00 0.00 H new ATOM 0 HA LEU A 45 13.060 7.672 5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.618 8.000 7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 45 15.174 6.712 6.399 1.00 0.00 H new ATOM 0 HG LEU A 45 16.373 9.103 5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 45 17.616 9.874 7.422 1.00 0.00 H new ATOM 0 HD12 LEU A 45 15.867 10.164 7.576 1.00 0.00 H new ATOM 0 HD13 LEU A 45 16.626 8.814 8.453 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.459 7.964 6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 45 17.524 6.779 7.015 1.00 0.00 H new ATOM 0 HD23 LEU A 45 17.320 6.871 5.250 1.00 0.00 H new ATOM 775 N VAL A 46 12.696 10.047 4.570 1.00 0.00 N ATOM 776 CA VAL A 46 12.291 11.438 4.452 1.00 0.00 C ATOM 777 C VAL A 46 10.772 11.537 4.605 1.00 0.00 C ATOM 778 O VAL A 46 10.276 11.961 5.648 1.00 0.00 O ATOM 779 CB VAL A 46 12.798 12.020 3.131 1.00 0.00 C ATOM 780 CG1 VAL A 46 12.251 13.431 2.908 1.00 0.00 C ATOM 781 CG2 VAL A 46 14.327 12.009 3.078 1.00 0.00 C ATOM 0 H VAL A 46 12.184 9.401 3.970 1.00 0.00 H new ATOM 0 HA VAL A 46 12.737 12.035 5.247 1.00 0.00 H new ATOM 0 HB VAL A 46 12.431 11.387 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.627 13.822 1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.162 13.399 2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.574 14.079 3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 46 14.661 12.428 2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 46 14.724 12.607 3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 46 14.687 10.984 3.169 1.00 0.00 H new ATOM 791 N LYS A 47 10.076 11.138 3.551 1.00 0.00 N ATOM 792 CA LYS A 47 8.623 11.177 3.555 1.00 0.00 C ATOM 793 C LYS A 47 8.156 12.622 3.369 1.00 0.00 C ATOM 794 O LYS A 47 7.588 13.217 4.283 1.00 0.00 O ATOM 795 CB LYS A 47 8.073 10.511 4.817 1.00 0.00 C ATOM 796 CG LYS A 47 7.209 9.298 4.465 1.00 0.00 C ATOM 797 CD LYS A 47 8.047 8.019 4.429 1.00 0.00 C ATOM 798 CE LYS A 47 7.334 6.918 3.641 1.00 0.00 C ATOM 799 NZ LYS A 47 7.226 5.686 4.454 1.00 0.00 N ATOM 0 H LYS A 47 10.491 10.786 2.688 1.00 0.00 H new ATOM 0 HA LYS A 47 8.224 10.602 2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.898 10.200 5.458 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.482 11.230 5.384 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.409 9.192 5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.735 9.454 3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.016 8.227 3.975 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.239 7.677 5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.340 7.257 3.350 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.881 6.708 2.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.740 4.949 3.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.178 5.355 4.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.684 5.887 5.319 1.00 0.00 H new ATOM 812 N LYS A 48 8.412 13.144 2.178 1.00 0.00 N ATOM 813 CA LYS A 48 8.024 14.508 1.860 1.00 0.00 C ATOM 814 C LYS A 48 6.533 14.690 2.150 1.00 0.00 C ATOM 815 O LYS A 48 5.692 14.038 1.532 1.00 0.00 O ATOM 816 CB LYS A 48 8.418 14.856 0.423 1.00 0.00 C ATOM 817 CG LYS A 48 7.979 13.758 -0.547 1.00 0.00 C ATOM 818 CD LYS A 48 6.840 14.244 -1.446 1.00 0.00 C ATOM 819 CE LYS A 48 7.386 14.956 -2.686 1.00 0.00 C ATOM 820 NZ LYS A 48 7.052 14.193 -3.910 1.00 0.00 N ATOM 0 H LYS A 48 8.883 12.647 1.422 1.00 0.00 H new ATOM 0 HA LYS A 48 8.561 15.214 2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.961 15.803 0.136 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.498 14.991 0.361 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.826 13.450 -1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.656 12.881 0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.225 13.397 -1.750 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.195 14.922 -0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.967 15.960 -2.750 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.467 15.067 -2.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.429 14.689 -4.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.473 13.244 -3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.019 14.109 -3.996 1.00 0.00 H new ATOM 833 N ILE A 49 6.250 15.580 3.090 1.00 0.00 N ATOM 834 CA ILE A 49 4.874 15.857 3.469 1.00 0.00 C ATOM 835 C ILE A 49 4.071 16.228 2.221 1.00 0.00 C ATOM 836 O ILE A 49 4.624 16.321 1.127 1.00 0.00 O ATOM 837 CB ILE A 49 4.825 16.917 4.571 1.00 0.00 C ATOM 838 CG1 ILE A 49 5.402 18.246 4.079 1.00 0.00 C ATOM 839 CG2 ILE A 49 5.524 16.423 5.839 1.00 0.00 C ATOM 840 CD1 ILE A 49 4.286 19.229 3.720 1.00 0.00 C ATOM 0 H ILE A 49 6.950 16.119 3.601 1.00 0.00 H new ATOM 0 HA ILE A 49 4.409 14.968 3.894 1.00 0.00 H new ATOM 0 HB ILE A 49 3.781 17.095 4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.038 18.679 4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.033 18.072 3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.475 17.196 6.606 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.029 15.521 6.200 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.567 16.199 5.616 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.723 20.165 3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.666 18.804 2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.672 19.419 4.600 1.00 0.00 H new ATOM 852 N ASP A 50 2.778 16.431 2.428 1.00 0.00 N ATOM 853 CA ASP A 50 1.893 16.791 1.333 1.00 0.00 C ATOM 854 C ASP A 50 0.877 17.826 1.823 1.00 0.00 C ATOM 855 O ASP A 50 0.653 18.840 1.165 1.00 0.00 O ATOM 856 CB ASP A 50 1.119 15.572 0.827 1.00 0.00 C ATOM 857 CG ASP A 50 1.986 14.437 0.279 1.00 0.00 C ATOM 858 OD1 ASP A 50 2.423 14.471 -0.881 1.00 0.00 O ATOM 859 OD2 ASP A 50 2.213 13.475 1.107 1.00 0.00 O ATOM 0 H ASP A 50 2.322 16.353 3.337 1.00 0.00 H new ATOM 0 HA ASP A 50 2.503 17.192 0.524 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.510 15.182 1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.433 15.895 0.044 1.00 0.00 H new ATOM 865 N HIS A 51 0.291 17.533 2.975 1.00 0.00 N ATOM 866 CA HIS A 51 -0.695 18.425 3.560 1.00 0.00 C ATOM 867 C HIS A 51 -1.128 17.887 4.925 1.00 0.00 C ATOM 868 O HIS A 51 -1.265 18.648 5.882 1.00 0.00 O ATOM 869 CB HIS A 51 -1.872 18.636 2.606 1.00 0.00 C ATOM 870 CG HIS A 51 -2.645 17.376 2.296 1.00 0.00 C ATOM 871 ND1 HIS A 51 -3.830 17.049 2.933 1.00 0.00 N ATOM 872 CD2 HIS A 51 -2.392 16.369 1.413 1.00 0.00 C ATOM 873 CE1 HIS A 51 -4.260 15.894 2.447 1.00 0.00 C ATOM 874 NE2 HIS A 51 -3.367 15.474 1.505 1.00 0.00 N ATOM 0 H HIS A 51 0.480 16.691 3.518 1.00 0.00 H new ATOM 0 HA HIS A 51 -0.251 19.408 3.719 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.552 19.369 3.040 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -1.499 19.060 1.674 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -1.541 16.310 0.750 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.160 15.376 2.744 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -3.437 14.614 0.961 1.00 0.00 H new ATOM 882 N ALA A 52 -1.332 16.578 4.972 1.00 0.00 N ATOM 883 CA ALA A 52 -1.746 15.929 6.204 1.00 0.00 C ATOM 884 C ALA A 52 -3.030 16.587 6.715 1.00 0.00 C ATOM 885 O ALA A 52 -3.454 17.616 6.193 1.00 0.00 O ATOM 886 CB ALA A 52 -0.609 15.998 7.225 1.00 0.00 C ATOM 0 H ALA A 52 -1.218 15.950 4.176 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.963 14.875 6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.920 15.511 8.149 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.270 15.492 6.826 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.366 17.041 7.428 1.00 0.00 H new ATOM 892 N LYS A 53 -3.611 15.966 7.731 1.00 0.00 N ATOM 893 CA LYS A 53 -4.837 16.478 8.318 1.00 0.00 C ATOM 894 C LYS A 53 -5.934 16.510 7.252 1.00 0.00 C ATOM 895 O LYS A 53 -5.950 17.397 6.400 1.00 0.00 O ATOM 896 CB LYS A 53 -4.587 17.832 8.984 1.00 0.00 C ATOM 897 CG LYS A 53 -4.156 17.655 10.441 1.00 0.00 C ATOM 898 CD LYS A 53 -2.857 18.413 10.724 1.00 0.00 C ATOM 899 CE LYS A 53 -2.962 19.216 12.022 1.00 0.00 C ATOM 900 NZ LYS A 53 -1.918 20.265 12.068 1.00 0.00 N ATOM 0 H LYS A 53 -3.255 15.113 8.162 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.184 15.817 9.112 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.816 18.374 8.436 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.493 18.436 8.940 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.943 18.015 11.103 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.018 16.596 10.657 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.029 17.708 10.794 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.635 19.084 9.894 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.949 19.673 12.095 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.855 18.550 12.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.003 20.801 12.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.978 19.822 12.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.038 20.910 11.261 1.00 0.00 H new ATOM 913 N VAL A 54 -6.824 15.532 7.335 1.00 0.00 N ATOM 914 CA VAL A 54 -7.922 15.437 6.387 1.00 0.00 C ATOM 915 C VAL A 54 -9.249 15.446 7.149 1.00 0.00 C ATOM 916 O VAL A 54 -9.540 16.386 7.886 1.00 0.00 O ATOM 917 CB VAL A 54 -7.747 14.199 5.505 1.00 0.00 C ATOM 918 CG1 VAL A 54 -8.763 14.193 4.362 1.00 0.00 C ATOM 919 CG2 VAL A 54 -6.317 14.106 4.969 1.00 0.00 C ATOM 0 H VAL A 54 -6.807 14.799 8.044 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.925 16.298 5.718 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.931 13.319 6.121 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.617 13.303 3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.773 14.190 4.773 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.624 15.082 3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.219 13.217 4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.092 14.992 4.376 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.619 14.042 5.804 1.00 0.00 H new ATOM 929 N ARG A 55 -10.019 14.387 6.944 1.00 0.00 N ATOM 930 CA ARG A 55 -11.308 14.261 7.601 1.00 0.00 C ATOM 931 C ARG A 55 -11.591 12.796 7.938 1.00 0.00 C ATOM 932 O ARG A 55 -12.499 12.189 7.371 1.00 0.00 O ATOM 933 CB ARG A 55 -12.434 14.800 6.716 1.00 0.00 C ATOM 934 CG ARG A 55 -13.770 14.790 7.461 1.00 0.00 C ATOM 935 CD ARG A 55 -14.789 13.900 6.745 1.00 0.00 C ATOM 936 NE ARG A 55 -16.163 14.357 7.051 1.00 0.00 N ATOM 937 CZ ARG A 55 -17.227 14.147 6.248 1.00 0.00 C ATOM 938 NH1 ARG A 55 -17.084 13.483 5.081 1.00 0.00 N ATOM 939 NH2 ARG A 55 -18.410 14.600 6.620 1.00 0.00 N ATOM 0 H ARG A 55 -9.774 13.609 6.332 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.270 14.848 8.519 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.198 15.816 6.399 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.513 14.195 5.813 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.620 14.431 8.479 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.157 15.806 7.535 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.618 13.930 5.669 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.663 12.864 7.059 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.315 14.862 7.924 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.167 13.136 4.801 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.893 13.328 4.480 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -18.510 15.101 7.503 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -19.224 14.449 6.024 1.00 0.00 H new ATOM 952 N LYS A 56 -10.797 12.269 8.859 1.00 0.00 N ATOM 953 CA LYS A 56 -10.951 10.886 9.277 1.00 0.00 C ATOM 954 C LYS A 56 -10.839 10.803 10.801 1.00 0.00 C ATOM 955 O LYS A 56 -9.917 10.181 11.326 1.00 0.00 O ATOM 956 CB LYS A 56 -9.957 9.989 8.538 1.00 0.00 C ATOM 957 CG LYS A 56 -8.515 10.350 8.903 1.00 0.00 C ATOM 958 CD LYS A 56 -7.771 9.137 9.463 1.00 0.00 C ATOM 959 CE LYS A 56 -6.299 9.156 9.044 1.00 0.00 C ATOM 960 NZ LYS A 56 -5.503 8.255 9.908 1.00 0.00 N ATOM 0 H LYS A 56 -10.045 12.775 9.327 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.940 10.515 9.009 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.149 8.945 8.787 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.100 10.091 7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.996 10.724 8.021 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.513 11.154 9.639 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.843 9.132 10.551 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.242 8.221 9.108 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.207 8.846 8.003 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.909 10.172 9.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.507 8.279 9.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.577 8.568 10.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.866 7.284 9.824 1.00 0.00 H new ATOM 973 N HIS A 57 -11.790 11.440 11.468 1.00 0.00 N ATOM 974 CA HIS A 57 -11.810 11.447 12.921 1.00 0.00 C ATOM 975 C HIS A 57 -12.889 10.486 13.424 1.00 0.00 C ATOM 976 O HIS A 57 -13.853 10.908 14.060 1.00 0.00 O ATOM 977 CB HIS A 57 -11.986 12.869 13.455 1.00 0.00 C ATOM 978 CG HIS A 57 -10.687 13.600 13.697 1.00 0.00 C ATOM 979 ND1 HIS A 57 -10.560 14.614 14.630 1.00 0.00 N ATOM 980 CD2 HIS A 57 -9.461 13.453 13.119 1.00 0.00 C ATOM 981 CE1 HIS A 57 -9.309 15.051 14.605 1.00 0.00 C ATOM 982 NE2 HIS A 57 -8.630 14.331 13.668 1.00 0.00 N ATOM 0 H HIS A 57 -12.553 11.955 11.029 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.852 11.094 13.303 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.586 13.440 12.747 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.548 12.829 14.388 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.209 12.743 12.346 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -8.900 15.839 15.219 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.646 14.447 13.428 1.00 0.00 H new ATOM 990 N GLN A 58 -12.691 9.212 13.119 1.00 0.00 N ATOM 991 CA GLN A 58 -13.635 8.188 13.532 1.00 0.00 C ATOM 992 C GLN A 58 -15.050 8.559 13.084 1.00 0.00 C ATOM 993 O GLN A 58 -15.275 9.652 12.566 1.00 0.00 O ATOM 994 CB GLN A 58 -13.579 7.969 15.045 1.00 0.00 C ATOM 995 CG GLN A 58 -12.613 6.836 15.400 1.00 0.00 C ATOM 996 CD GLN A 58 -12.622 6.560 16.905 1.00 0.00 C ATOM 997 OE1 GLN A 58 -13.596 6.092 17.471 1.00 0.00 O ATOM 998 NE2 GLN A 58 -11.485 6.874 17.519 1.00 0.00 N ATOM 0 H GLN A 58 -11.890 8.866 12.590 1.00 0.00 H new ATOM 0 HA GLN A 58 -13.357 7.250 13.052 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -13.263 8.889 15.538 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -14.575 7.733 15.419 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -12.893 5.932 14.859 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -11.605 7.099 15.081 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -10.708 7.263 16.985 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -11.390 6.726 18.524 1.00 0.00 H new ATOM 1007 N ARG A 59 -15.968 7.628 13.299 1.00 0.00 N ATOM 1008 CA ARG A 59 -17.355 7.843 12.924 1.00 0.00 C ATOM 1009 C ARG A 59 -17.445 8.309 11.469 1.00 0.00 C ATOM 1010 O ARG A 59 -17.527 9.506 11.201 1.00 0.00 O ATOM 1011 CB ARG A 59 -18.015 8.886 13.828 1.00 0.00 C ATOM 1012 CG ARG A 59 -18.973 8.225 14.820 1.00 0.00 C ATOM 1013 CD ARG A 59 -19.830 9.271 15.536 1.00 0.00 C ATOM 1014 NE ARG A 59 -18.984 10.092 16.430 1.00 0.00 N ATOM 1015 CZ ARG A 59 -18.531 9.678 17.633 1.00 0.00 C ATOM 1016 NH1 ARG A 59 -18.841 8.448 18.096 1.00 0.00 N ATOM 1017 NH2 ARG A 59 -17.782 10.495 18.350 1.00 0.00 N ATOM 0 H ARG A 59 -15.778 6.723 13.728 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.880 6.895 13.039 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -17.248 9.439 14.371 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -18.558 9.609 13.219 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.617 7.520 14.294 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.405 7.652 15.553 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -20.327 9.909 14.805 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -20.613 8.779 16.113 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.727 11.029 16.118 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.421 7.824 17.536 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -18.495 8.143 19.006 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.554 11.423 17.993 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.431 10.198 19.261 1.00 0.00 H new ATOM 1030 N LYS A 60 -17.426 7.337 10.568 1.00 0.00 N ATOM 1031 CA LYS A 60 -17.505 7.633 9.148 1.00 0.00 C ATOM 1032 C LYS A 60 -18.394 6.593 8.463 1.00 0.00 C ATOM 1033 O LYS A 60 -18.365 6.453 7.241 1.00 0.00 O ATOM 1034 CB LYS A 60 -16.103 7.736 8.543 1.00 0.00 C ATOM 1035 CG LYS A 60 -15.240 6.541 8.952 1.00 0.00 C ATOM 1036 CD LYS A 60 -15.465 5.355 8.012 1.00 0.00 C ATOM 1037 CE LYS A 60 -14.297 5.199 7.037 1.00 0.00 C ATOM 1038 NZ LYS A 60 -13.104 4.671 7.736 1.00 0.00 N ATOM 0 H LYS A 60 -17.357 6.345 10.794 1.00 0.00 H new ATOM 0 HA LYS A 60 -17.969 8.606 8.988 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.175 7.782 7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -15.629 8.661 8.871 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.188 6.826 8.938 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.478 6.249 9.975 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.581 4.441 8.595 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.391 5.498 7.456 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.579 4.526 6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.063 6.162 6.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.427 4.303 7.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.656 5.434 8.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.389 3.905 8.379 1.00 0.00 H new ATOM 1051 N PHE A 61 -19.164 5.889 9.280 1.00 0.00 N ATOM 1052 CA PHE A 61 -20.060 4.866 8.769 1.00 0.00 C ATOM 1053 C PHE A 61 -21.246 4.656 9.712 1.00 0.00 C ATOM 1054 O PHE A 61 -21.373 3.600 10.330 1.00 0.00 O ATOM 1055 CB PHE A 61 -19.255 3.568 8.684 1.00 0.00 C ATOM 1056 CG PHE A 61 -18.618 3.319 7.315 1.00 0.00 C ATOM 1057 CD1 PHE A 61 -19.358 3.469 6.184 1.00 0.00 C ATOM 1058 CD2 PHE A 61 -17.313 2.947 7.230 1.00 0.00 C ATOM 1059 CE1 PHE A 61 -18.767 3.237 4.914 1.00 0.00 C ATOM 1060 CE2 PHE A 61 -16.722 2.716 5.960 1.00 0.00 C ATOM 1061 CZ PHE A 61 -17.462 2.866 4.828 1.00 0.00 C ATOM 0 H PHE A 61 -19.186 6.007 10.293 1.00 0.00 H new ATOM 0 HA PHE A 61 -20.452 5.166 7.797 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -18.470 3.589 9.440 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -19.909 2.730 8.927 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -20.395 3.764 6.252 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -16.726 2.827 8.129 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -19.355 3.355 4.016 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -15.685 2.421 5.892 1.00 0.00 H new ATOM 0 HZ PHE A 61 -17.013 2.690 3.862 1.00 0.00 H new ATOM 1071 N LEU A 62 -22.086 5.678 9.792 1.00 0.00 N ATOM 1072 CA LEU A 62 -23.258 5.618 10.649 1.00 0.00 C ATOM 1073 C LEU A 62 -24.438 6.284 9.939 1.00 0.00 C ATOM 1074 O LEU A 62 -24.245 7.128 9.065 1.00 0.00 O ATOM 1075 CB LEU A 62 -22.948 6.217 12.023 1.00 0.00 C ATOM 1076 CG LEU A 62 -23.109 7.734 12.144 1.00 0.00 C ATOM 1077 CD1 LEU A 62 -24.105 8.093 13.249 1.00 0.00 C ATOM 1078 CD2 LEU A 62 -21.754 8.414 12.351 1.00 0.00 C ATOM 0 H LEU A 62 -21.978 6.552 9.277 1.00 0.00 H new ATOM 0 HA LEU A 62 -23.542 4.582 10.835 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -23.597 5.743 12.759 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -21.923 5.958 12.288 1.00 0.00 H new ATOM 0 HG LEU A 62 -23.518 8.110 11.206 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -24.201 9.177 13.314 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -25.077 7.656 13.019 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -23.748 7.702 14.202 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -21.897 9.491 12.434 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -21.294 8.037 13.265 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -21.105 8.198 11.502 1.00 0.00 H new ATOM 1090 N GLN A 63 -25.634 5.881 10.342 1.00 0.00 N ATOM 1091 CA GLN A 63 -26.845 6.428 9.755 1.00 0.00 C ATOM 1092 C GLN A 63 -27.847 6.795 10.852 1.00 0.00 C ATOM 1093 O GLN A 63 -28.058 6.026 11.788 1.00 0.00 O ATOM 1094 CB GLN A 63 -27.461 5.449 8.755 1.00 0.00 C ATOM 1095 CG GLN A 63 -26.989 5.749 7.331 1.00 0.00 C ATOM 1096 CD GLN A 63 -28.106 5.492 6.317 1.00 0.00 C ATOM 1097 OE1 GLN A 63 -29.024 4.723 6.548 1.00 0.00 O ATOM 1098 NE2 GLN A 63 -27.977 6.178 5.185 1.00 0.00 N ATOM 0 H GLN A 63 -25.790 5.182 11.068 1.00 0.00 H new ATOM 0 HA GLN A 63 -26.584 7.335 9.210 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -27.188 4.429 9.025 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -28.548 5.512 8.802 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -26.663 6.787 7.263 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -26.126 5.128 7.092 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -27.183 6.806 5.057 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -28.672 6.077 4.445 1.00 0.00 H new ATOM 1107 N ALA A 64 -28.438 7.971 10.699 1.00 0.00 N ATOM 1108 CA ALA A 64 -29.413 8.450 11.665 1.00 0.00 C ATOM 1109 C ALA A 64 -30.800 7.929 11.284 1.00 0.00 C ATOM 1110 O ALA A 64 -31.810 8.409 11.796 1.00 0.00 O ATOM 1111 CB ALA A 64 -29.361 9.977 11.729 1.00 0.00 C ATOM 0 H ALA A 64 -28.261 8.606 9.921 1.00 0.00 H new ATOM 0 HA ALA A 64 -29.182 8.074 12.662 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -30.092 10.336 12.453 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -28.363 10.295 12.032 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -29.590 10.390 10.747 1.00 0.00 H new ATOM 1117 N ILE A 65 -30.805 6.953 10.387 1.00 0.00 N ATOM 1118 CA ILE A 65 -32.051 6.362 9.931 1.00 0.00 C ATOM 1119 C ILE A 65 -32.247 5.007 10.613 1.00 0.00 C ATOM 1120 O ILE A 65 -32.499 4.943 11.815 1.00 0.00 O ATOM 1121 CB ILE A 65 -32.084 6.292 8.403 1.00 0.00 C ATOM 1122 CG1 ILE A 65 -31.897 7.680 7.786 1.00 0.00 C ATOM 1123 CG2 ILE A 65 -33.365 5.614 7.912 1.00 0.00 C ATOM 1124 CD1 ILE A 65 -31.113 7.596 6.475 1.00 0.00 C ATOM 0 H ILE A 65 -29.965 6.557 9.964 1.00 0.00 H new ATOM 0 HA ILE A 65 -32.896 6.988 10.216 1.00 0.00 H new ATOM 0 HB ILE A 65 -31.247 5.677 8.072 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -32.871 8.135 7.603 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -31.370 8.326 8.488 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -33.363 5.577 6.823 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -33.415 4.600 8.309 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -34.231 6.181 8.254 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -30.994 8.596 6.057 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -30.131 7.163 6.665 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -31.655 6.969 5.767 1.00 0.00 H new ATOM 1136 N HIS A 66 -32.124 3.956 9.816 1.00 0.00 N ATOM 1137 CA HIS A 66 -32.285 2.605 10.327 1.00 0.00 C ATOM 1138 C HIS A 66 -33.710 2.422 10.854 1.00 0.00 C ATOM 1139 O HIS A 66 -33.910 2.185 12.044 1.00 0.00 O ATOM 1140 CB HIS A 66 -31.219 2.293 11.380 1.00 0.00 C ATOM 1141 CG HIS A 66 -30.507 0.979 11.162 1.00 0.00 C ATOM 1142 ND1 HIS A 66 -29.844 0.672 9.987 1.00 0.00 N ATOM 1143 CD2 HIS A 66 -30.361 -0.101 11.981 1.00 0.00 C ATOM 1144 CE1 HIS A 66 -29.327 -0.542 10.104 1.00 0.00 C ATOM 1145 NE2 HIS A 66 -29.648 -1.020 11.341 1.00 0.00 N ATOM 0 H HIS A 66 -31.915 4.013 8.819 1.00 0.00 H new ATOM 0 HA HIS A 66 -32.138 1.887 9.520 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -30.483 3.097 11.386 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -31.687 2.282 12.364 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -30.758 -0.193 12.981 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -28.752 -1.062 9.352 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -29.384 -1.932 11.713 1.00 0.00 H new ATOM 1153 N GLN A 67 -34.663 2.538 9.941 1.00 0.00 N ATOM 1154 CA GLN A 67 -36.063 2.388 10.297 1.00 0.00 C ATOM 1155 C GLN A 67 -36.813 1.632 9.199 1.00 0.00 C ATOM 1156 O GLN A 67 -37.835 2.103 8.703 1.00 0.00 O ATOM 1157 CB GLN A 67 -36.710 3.748 10.566 1.00 0.00 C ATOM 1158 CG GLN A 67 -36.807 4.572 9.280 1.00 0.00 C ATOM 1159 CD GLN A 67 -38.232 5.087 9.065 1.00 0.00 C ATOM 1160 OE1 GLN A 67 -39.034 5.170 9.981 1.00 0.00 O ATOM 1161 NE2 GLN A 67 -38.501 5.426 7.808 1.00 0.00 N ATOM 0 H GLN A 67 -34.493 2.734 8.955 1.00 0.00 H new ATOM 0 HA GLN A 67 -36.122 1.806 11.217 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -37.705 3.605 10.986 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -36.126 4.292 11.308 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -36.116 5.414 9.330 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -36.505 3.962 8.429 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -37.783 5.332 7.090 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -39.425 5.781 7.562 1.00 0.00 H new ATOM 1170 N LEU A 68 -36.276 0.472 8.851 1.00 0.00 N ATOM 1171 CA LEU A 68 -36.881 -0.354 7.819 1.00 0.00 C ATOM 1172 C LEU A 68 -37.943 -1.255 8.453 1.00 0.00 C ATOM 1173 O LEU A 68 -38.172 -1.198 9.660 1.00 0.00 O ATOM 1174 CB LEU A 68 -35.806 -1.120 7.046 1.00 0.00 C ATOM 1175 CG LEU A 68 -35.061 -2.203 7.829 1.00 0.00 C ATOM 1176 CD1 LEU A 68 -34.817 -3.438 6.959 1.00 0.00 C ATOM 1177 CD2 LEU A 68 -33.761 -1.655 8.423 1.00 0.00 C ATOM 0 H LEU A 68 -35.428 0.084 9.265 1.00 0.00 H new ATOM 0 HA LEU A 68 -37.388 0.268 7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -36.272 -1.584 6.177 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -35.076 -0.403 6.671 1.00 0.00 H new ATOM 0 HG LEU A 68 -35.690 -2.515 8.663 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -34.286 -4.193 7.539 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -35.773 -3.843 6.626 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -34.218 -3.160 6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -33.251 -2.445 8.974 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -33.116 -1.299 7.620 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -33.989 -0.830 9.098 1.00 0.00 H new ATOM 1189 N ARG A 69 -38.563 -2.067 7.609 1.00 0.00 N ATOM 1190 CA ARG A 69 -39.595 -2.980 8.071 1.00 0.00 C ATOM 1191 C ARG A 69 -40.729 -2.202 8.743 1.00 0.00 C ATOM 1192 O ARG A 69 -40.547 -1.052 9.140 1.00 0.00 O ATOM 1193 CB ARG A 69 -39.027 -3.998 9.061 1.00 0.00 C ATOM 1194 CG ARG A 69 -38.084 -4.978 8.359 1.00 0.00 C ATOM 1195 CD ARG A 69 -37.167 -5.674 9.367 1.00 0.00 C ATOM 1196 NE ARG A 69 -37.390 -7.136 9.329 1.00 0.00 N ATOM 1197 CZ ARG A 69 -36.938 -7.995 10.267 1.00 0.00 C ATOM 1198 NH1 ARG A 69 -36.234 -7.544 11.327 1.00 0.00 N ATOM 1199 NH2 ARG A 69 -37.195 -9.283 10.133 1.00 0.00 N ATOM 0 H ARG A 69 -38.371 -2.112 6.608 1.00 0.00 H new ATOM 0 HA ARG A 69 -39.980 -3.513 7.202 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -38.492 -3.478 9.856 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -39.843 -4.547 9.532 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -38.666 -5.723 7.817 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -37.483 -4.445 7.622 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -36.125 -5.451 9.138 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -37.361 -5.294 10.370 1.00 0.00 H new ATOM 0 HE ARG A 69 -37.918 -7.519 8.545 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -36.040 -6.547 11.424 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -35.896 -8.200 12.031 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -37.728 -9.616 9.329 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -36.861 -9.945 10.833 1.00 0.00 H new ATOM 1212 N SER A 70 -41.873 -2.862 8.851 1.00 0.00 N ATOM 1213 CA SER A 70 -43.036 -2.247 9.468 1.00 0.00 C ATOM 1214 C SER A 70 -44.061 -3.321 9.838 1.00 0.00 C ATOM 1215 O SER A 70 -44.953 -3.630 9.050 1.00 0.00 O ATOM 1216 CB SER A 70 -43.667 -1.207 8.540 1.00 0.00 C ATOM 1217 OG SER A 70 -42.707 -0.276 8.050 1.00 0.00 O ATOM 0 H SER A 70 -42.019 -3.816 8.522 1.00 0.00 H new ATOM 0 HA SER A 70 -42.712 -1.735 10.374 1.00 0.00 H new ATOM 0 HB2 SER A 70 -44.143 -1.712 7.700 1.00 0.00 H new ATOM 0 HB3 SER A 70 -44.451 -0.671 9.076 1.00 0.00 H new ATOM 0 HG SER A 70 -41.950 -0.229 8.671 1.00 0.00 H new ATOM 1223 N VAL A 71 -43.899 -3.860 11.038 1.00 0.00 N ATOM 1224 CA VAL A 71 -44.800 -4.892 11.522 1.00 0.00 C ATOM 1225 C VAL A 71 -46.231 -4.552 11.102 1.00 0.00 C ATOM 1226 O VAL A 71 -46.745 -5.103 10.130 1.00 0.00 O ATOM 1227 CB VAL A 71 -44.643 -5.056 13.035 1.00 0.00 C ATOM 1228 CG1 VAL A 71 -45.736 -5.963 13.604 1.00 0.00 C ATOM 1229 CG2 VAL A 71 -43.252 -5.586 13.388 1.00 0.00 C ATOM 0 H VAL A 71 -43.157 -3.601 11.689 1.00 0.00 H new ATOM 0 HA VAL A 71 -44.552 -5.855 11.077 1.00 0.00 H new ATOM 0 HB VAL A 71 -44.752 -4.072 13.492 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -45.602 -6.063 14.681 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -46.714 -5.527 13.399 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -45.672 -6.946 13.138 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -43.167 -5.693 14.469 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -43.101 -6.556 12.914 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -42.495 -4.887 13.032 1.00 0.00 H new ATOM 1239 N LYS A 72 -46.836 -3.646 11.857 1.00 0.00 N ATOM 1240 CA LYS A 72 -48.198 -3.225 11.576 1.00 0.00 C ATOM 1241 C LYS A 72 -49.021 -4.439 11.139 1.00 0.00 C ATOM 1242 O LYS A 72 -48.866 -5.529 11.688 1.00 0.00 O ATOM 1243 CB LYS A 72 -48.206 -2.079 10.562 1.00 0.00 C ATOM 1244 CG LYS A 72 -49.389 -1.140 10.807 1.00 0.00 C ATOM 1245 CD LYS A 72 -49.828 -0.461 9.508 1.00 0.00 C ATOM 1246 CE LYS A 72 -51.286 -0.007 9.592 1.00 0.00 C ATOM 1247 NZ LYS A 72 -51.613 0.897 8.466 1.00 0.00 N ATOM 0 H LYS A 72 -46.407 -3.192 12.663 1.00 0.00 H new ATOM 0 HA LYS A 72 -48.668 -2.827 12.475 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -47.273 -1.520 10.632 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -48.261 -2.483 9.551 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -50.223 -1.702 11.228 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -49.112 -0.384 11.541 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -49.187 0.398 9.308 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -49.706 -1.151 8.673 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -51.945 -0.875 9.573 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -51.460 0.504 10.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -52.606 1.196 8.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -50.996 1.734 8.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -51.466 0.397 7.566 1.00 0.00 H new ATOM 1260 N MET A 73 -49.879 -4.209 10.156 1.00 0.00 N ATOM 1261 CA MET A 73 -50.727 -5.269 9.640 1.00 0.00 C ATOM 1262 C MET A 73 -51.224 -6.173 10.770 1.00 0.00 C ATOM 1263 O MET A 73 -50.643 -7.226 11.029 1.00 0.00 O ATOM 1264 CB MET A 73 -49.942 -6.104 8.626 1.00 0.00 C ATOM 1265 CG MET A 73 -49.767 -5.344 7.309 1.00 0.00 C ATOM 1266 SD MET A 73 -49.820 -6.483 5.936 1.00 0.00 S ATOM 1267 CE MET A 73 -48.074 -6.674 5.623 1.00 0.00 C ATOM 0 H MET A 73 -50.005 -3.304 9.703 1.00 0.00 H new ATOM 0 HA MET A 73 -51.592 -4.814 9.157 1.00 0.00 H new ATOM 0 HB2 MET A 73 -48.965 -6.357 9.037 1.00 0.00 H new ATOM 0 HB3 MET A 73 -50.463 -7.043 8.442 1.00 0.00 H new ATOM 0 HG2 MET A 73 -50.554 -4.597 7.203 1.00 0.00 H new ATOM 0 HG3 MET A 73 -48.818 -4.809 7.312 1.00 0.00 H new ATOM 0 HE1 MET A 73 -47.927 -7.359 4.788 1.00 0.00 H new ATOM 0 HE2 MET A 73 -47.640 -5.705 5.377 1.00 0.00 H new ATOM 0 HE3 MET A 73 -47.587 -7.075 6.512 1.00 0.00 H new ATOM 1277 N GLU A 74 -52.295 -5.729 11.412 1.00 0.00 N ATOM 1278 CA GLU A 74 -52.877 -6.485 12.508 1.00 0.00 C ATOM 1279 C GLU A 74 -54.050 -7.330 12.007 1.00 0.00 C ATOM 1280 O GLU A 74 -55.114 -6.798 11.696 1.00 0.00 O ATOM 1281 CB GLU A 74 -53.315 -5.557 13.643 1.00 0.00 C ATOM 1282 CG GLU A 74 -54.352 -6.237 14.539 1.00 0.00 C ATOM 1283 CD GLU A 74 -54.103 -5.909 16.012 1.00 0.00 C ATOM 1284 OE1 GLU A 74 -53.247 -6.538 16.651 1.00 0.00 O ATOM 1285 OE2 GLU A 74 -54.836 -4.962 16.491 1.00 0.00 O ATOM 0 H GLU A 74 -52.775 -4.856 11.194 1.00 0.00 H new ATOM 0 HA GLU A 74 -52.115 -7.156 12.905 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -52.448 -5.270 14.238 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -53.734 -4.641 13.227 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -55.353 -5.912 14.254 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -54.313 -7.316 14.392 1.00 0.00 H new ATOM 1293 N GLN A 75 -53.815 -8.632 11.944 1.00 0.00 N ATOM 1294 CA GLN A 75 -54.839 -9.556 11.486 1.00 0.00 C ATOM 1295 C GLN A 75 -55.554 -10.191 12.680 1.00 0.00 C ATOM 1296 O GLN A 75 -55.128 -10.026 13.822 1.00 0.00 O ATOM 1297 CB GLN A 75 -54.242 -10.627 10.571 1.00 0.00 C ATOM 1298 CG GLN A 75 -54.585 -10.351 9.106 1.00 0.00 C ATOM 1299 CD GLN A 75 -56.098 -10.390 8.881 1.00 0.00 C ATOM 1300 OE1 GLN A 75 -56.742 -9.383 8.640 1.00 0.00 O ATOM 1301 NE2 GLN A 75 -56.627 -11.607 8.971 1.00 0.00 N ATOM 0 H GLN A 75 -52.931 -9.069 12.202 1.00 0.00 H new ATOM 0 HA GLN A 75 -55.572 -8.996 10.905 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -53.159 -10.654 10.696 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -54.621 -11.608 10.858 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -54.195 -9.375 8.815 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -54.100 -11.091 8.469 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -56.030 -12.409 9.176 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -57.629 -11.739 8.835 1.00 0.00 H new ATOM 1310 N ARG A 76 -56.628 -10.904 12.375 1.00 0.00 N ATOM 1311 CA ARG A 76 -57.406 -11.565 13.409 1.00 0.00 C ATOM 1312 C ARG A 76 -57.896 -10.544 14.438 1.00 0.00 C ATOM 1313 O ARG A 76 -57.525 -9.373 14.382 1.00 0.00 O ATOM 1314 CB ARG A 76 -56.579 -12.638 14.120 1.00 0.00 C ATOM 1315 CG ARG A 76 -56.440 -13.889 13.250 1.00 0.00 C ATOM 1316 CD ARG A 76 -56.292 -15.143 14.113 1.00 0.00 C ATOM 1317 NE ARG A 76 -55.633 -16.217 13.336 1.00 0.00 N ATOM 1318 CZ ARG A 76 -54.298 -16.322 13.172 1.00 0.00 C ATOM 1319 NH1 ARG A 76 -53.466 -15.417 13.729 1.00 0.00 N ATOM 1320 NH2 ARG A 76 -53.817 -17.322 12.457 1.00 0.00 N ATOM 0 H ARG A 76 -56.978 -11.039 11.426 1.00 0.00 H new ATOM 0 HA ARG A 76 -58.260 -12.041 12.928 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -55.591 -12.243 14.356 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -57.052 -12.900 15.066 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -57.314 -13.987 12.606 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -55.573 -13.788 12.597 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -55.706 -14.915 15.003 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -57.272 -15.478 14.454 1.00 0.00 H new ATOM 0 HE ARG A 76 -56.225 -16.922 12.897 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -53.845 -14.646 14.279 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -52.458 -15.504 13.600 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -54.452 -18.001 12.038 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -52.810 -17.415 12.324 1.00 0.00 H new ATOM 1333 N LYS A 77 -58.724 -11.026 15.354 1.00 0.00 N ATOM 1334 CA LYS A 77 -59.269 -10.170 16.395 1.00 0.00 C ATOM 1335 C LYS A 77 -60.152 -9.097 15.755 1.00 0.00 C ATOM 1336 O LYS A 77 -60.261 -9.025 14.532 1.00 0.00 O ATOM 1337 CB LYS A 77 -58.146 -9.603 17.265 1.00 0.00 C ATOM 1338 CG LYS A 77 -58.395 -9.902 18.745 1.00 0.00 C ATOM 1339 CD LYS A 77 -57.099 -9.791 19.552 1.00 0.00 C ATOM 1340 CE LYS A 77 -57.343 -9.078 20.884 1.00 0.00 C ATOM 1341 NZ LYS A 77 -57.018 -9.973 22.017 1.00 0.00 N ATOM 0 H LYS A 77 -59.031 -11.998 15.397 1.00 0.00 H new ATOM 0 HA LYS A 77 -59.903 -10.746 17.069 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -57.192 -10.032 16.959 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -58.073 -8.526 17.115 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -59.135 -9.206 19.141 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -58.810 -10.904 18.853 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -56.695 -10.786 19.737 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -56.352 -9.246 18.975 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -56.733 -8.177 20.938 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -58.384 -8.762 20.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -57.189 -9.474 22.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -57.618 -10.821 21.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -56.018 -10.253 21.962 1.00 0.00 H new ATOM 1354 N LEU A 78 -60.761 -8.290 16.611 1.00 0.00 N ATOM 1355 CA LEU A 78 -61.632 -7.224 16.145 1.00 0.00 C ATOM 1356 C LEU A 78 -61.049 -6.617 14.867 1.00 0.00 C ATOM 1357 O LEU A 78 -59.844 -6.692 14.634 1.00 0.00 O ATOM 1358 CB LEU A 78 -61.870 -6.201 17.258 1.00 0.00 C ATOM 1359 CG LEU A 78 -63.160 -6.374 18.063 1.00 0.00 C ATOM 1360 CD1 LEU A 78 -62.854 -6.662 19.534 1.00 0.00 C ATOM 1361 CD2 LEU A 78 -64.078 -5.162 17.895 1.00 0.00 C ATOM 0 H LEU A 78 -60.669 -8.353 17.625 1.00 0.00 H new ATOM 0 HA LEU A 78 -62.616 -7.619 15.891 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -61.027 -6.241 17.947 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -61.872 -5.205 16.815 1.00 0.00 H new ATOM 0 HG LEU A 78 -63.694 -7.239 17.670 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -63.788 -6.781 20.083 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -62.269 -7.578 19.611 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -62.287 -5.833 19.957 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -64.987 -5.311 18.477 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -63.565 -4.266 18.245 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -64.336 -5.044 16.843 1.00 0.00 H new ATOM 1373 N ASN A 79 -61.932 -6.030 14.073 1.00 0.00 N ATOM 1374 CA ASN A 79 -61.520 -5.411 12.825 1.00 0.00 C ATOM 1375 C ASN A 79 -62.702 -4.644 12.227 1.00 0.00 C ATOM 1376 O ASN A 79 -62.530 -3.546 11.699 1.00 0.00 O ATOM 1377 CB ASN A 79 -61.077 -6.464 11.807 1.00 0.00 C ATOM 1378 CG ASN A 79 -59.697 -6.128 11.237 1.00 0.00 C ATOM 1379 OD1 ASN A 79 -59.411 -5.005 10.857 1.00 0.00 O ATOM 1380 ND2 ASN A 79 -58.862 -7.163 11.199 1.00 0.00 N ATOM 0 H ASN A 79 -62.931 -5.970 14.270 1.00 0.00 H new ATOM 0 HA ASN A 79 -60.686 -4.743 13.039 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -61.050 -7.445 12.281 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -61.805 -6.522 10.998 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -57.917 -7.043 10.835 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -59.167 -8.077 11.534 1.00 0.00 H new ATOM 1387 N ASP A 80 -63.874 -5.253 12.329 1.00 0.00 N ATOM 1388 CA ASP A 80 -65.083 -4.641 11.806 1.00 0.00 C ATOM 1389 C ASP A 80 -64.920 -4.405 10.303 1.00 0.00 C ATOM 1390 O ASP A 80 -64.304 -3.424 9.888 1.00 0.00 O ATOM 1391 CB ASP A 80 -65.349 -3.288 12.470 1.00 0.00 C ATOM 1392 CG ASP A 80 -66.012 -3.364 13.847 1.00 0.00 C ATOM 1393 OD1 ASP A 80 -67.118 -2.842 14.053 1.00 0.00 O ATOM 1394 OD2 ASP A 80 -65.336 -3.999 14.743 1.00 0.00 O ATOM 0 H ASP A 80 -64.012 -6.164 12.766 1.00 0.00 H new ATOM 0 HA ASP A 80 -65.916 -5.313 12.011 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -64.403 -2.756 12.568 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -65.982 -2.695 11.811 1.00 0.00 H new ATOM 1400 N GLN A 81 -65.483 -5.320 9.528 1.00 0.00 N ATOM 1401 CA GLN A 81 -65.407 -5.224 8.080 1.00 0.00 C ATOM 1402 C GLN A 81 -66.636 -4.496 7.532 1.00 0.00 C ATOM 1403 O GLN A 81 -66.508 -3.476 6.857 1.00 0.00 O ATOM 1404 CB GLN A 81 -65.262 -6.609 7.445 1.00 0.00 C ATOM 1405 CG GLN A 81 -64.033 -6.669 6.537 1.00 0.00 C ATOM 1406 CD GLN A 81 -63.367 -8.045 6.606 1.00 0.00 C ATOM 1407 OE1 GLN A 81 -64.008 -9.079 6.514 1.00 0.00 O ATOM 1408 NE2 GLN A 81 -62.048 -8.000 6.773 1.00 0.00 N ATOM 0 H GLN A 81 -65.994 -6.132 9.875 1.00 0.00 H new ATOM 0 HA GLN A 81 -64.520 -4.647 7.820 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -65.179 -7.364 8.226 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -66.157 -6.844 6.868 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -64.325 -6.453 5.509 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -63.319 -5.900 6.834 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -61.573 -7.100 6.843 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -61.512 -8.866 6.831 1.00 0.00 H new ATOM 1417 N ALA A 82 -67.800 -5.050 7.842 1.00 0.00 N ATOM 1418 CA ALA A 82 -69.051 -4.466 7.389 1.00 0.00 C ATOM 1419 C ALA A 82 -70.198 -4.993 8.253 1.00 0.00 C ATOM 1420 O ALA A 82 -71.054 -5.732 7.771 1.00 0.00 O ATOM 1421 CB ALA A 82 -69.250 -4.775 5.904 1.00 0.00 C ATOM 0 H ALA A 82 -67.902 -5.897 8.401 1.00 0.00 H new ATOM 0 HA ALA A 82 -69.029 -3.382 7.497 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -70.188 -4.337 5.564 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -68.424 -4.354 5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -69.279 -5.855 5.758 1.00 0.00 H new ATOM 1427 N ASN A 83 -70.177 -4.592 9.516 1.00 0.00 N ATOM 1428 CA ASN A 83 -71.204 -5.015 10.452 1.00 0.00 C ATOM 1429 C ASN A 83 -72.296 -3.945 10.522 1.00 0.00 C ATOM 1430 O ASN A 83 -72.132 -2.929 11.196 1.00 0.00 O ATOM 1431 CB ASN A 83 -70.628 -5.195 11.858 1.00 0.00 C ATOM 1432 CG ASN A 83 -69.874 -3.941 12.307 1.00 0.00 C ATOM 1433 OD1 ASN A 83 -70.425 -3.040 12.919 1.00 0.00 O ATOM 1434 ND2 ASN A 83 -68.588 -3.933 11.969 1.00 0.00 N ATOM 0 H ASN A 83 -69.465 -3.979 9.912 1.00 0.00 H new ATOM 0 HA ASN A 83 -71.607 -5.966 10.103 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -71.434 -5.410 12.560 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -69.955 -6.053 11.872 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -67.999 -3.140 12.222 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -68.190 -4.720 11.457 1.00 0.00 H new ATOM 1441 N THR A 84 -73.386 -4.210 9.817 1.00 0.00 N ATOM 1442 CA THR A 84 -74.504 -3.283 9.790 1.00 0.00 C ATOM 1443 C THR A 84 -73.999 -1.839 9.771 1.00 0.00 C ATOM 1444 O THR A 84 -74.011 -1.159 10.796 1.00 0.00 O ATOM 1445 CB THR A 84 -75.406 -3.595 10.986 1.00 0.00 C ATOM 1446 OG1 THR A 84 -74.496 -3.950 12.024 1.00 0.00 O ATOM 1447 CG2 THR A 84 -76.242 -4.859 10.775 1.00 0.00 C ATOM 0 H THR A 84 -73.519 -5.054 9.260 1.00 0.00 H new ATOM 0 HA THR A 84 -75.093 -3.401 8.880 1.00 0.00 H new ATOM 0 HB THR A 84 -76.068 -2.749 11.172 1.00 0.00 H new ATOM 0 HG1 THR A 84 -73.868 -3.213 12.175 1.00 0.00 H new ATOM 0 HG21 THR A 84 -76.864 -5.035 11.653 1.00 0.00 H new ATOM 0 HG22 THR A 84 -76.878 -4.732 9.899 1.00 0.00 H new ATOM 0 HG23 THR A 84 -75.580 -5.712 10.623 1.00 0.00 H new ATOM 1455 N LEU A 85 -73.567 -1.412 8.594 1.00 0.00 N ATOM 1456 CA LEU A 85 -73.058 -0.061 8.427 1.00 0.00 C ATOM 1457 C LEU A 85 -74.211 0.934 8.572 1.00 0.00 C ATOM 1458 O LEU A 85 -73.987 2.140 8.666 1.00 0.00 O ATOM 1459 CB LEU A 85 -72.299 0.066 7.105 1.00 0.00 C ATOM 1460 CG LEU A 85 -73.157 0.266 5.854 1.00 0.00 C ATOM 1461 CD1 LEU A 85 -72.586 1.374 4.968 1.00 0.00 C ATOM 1462 CD2 LEU A 85 -73.326 -1.049 5.091 1.00 0.00 C ATOM 0 H LEU A 85 -73.559 -1.978 7.746 1.00 0.00 H new ATOM 0 HA LEU A 85 -72.334 0.173 9.207 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -71.608 0.905 7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -71.696 -0.832 6.968 1.00 0.00 H new ATOM 0 HG LEU A 85 -74.150 0.587 6.168 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -73.215 1.495 4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -72.560 2.310 5.527 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -71.575 1.108 4.659 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -73.940 -0.880 4.206 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -72.348 -1.422 4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -73.811 -1.783 5.734 1.00 0.00 H new ATOM 1474 N VAL A 86 -75.420 0.393 8.587 1.00 0.00 N ATOM 1475 CA VAL A 86 -76.609 1.218 8.719 1.00 0.00 C ATOM 1476 C VAL A 86 -77.621 0.506 9.618 1.00 0.00 C ATOM 1477 O VAL A 86 -77.522 0.569 10.842 1.00 0.00 O ATOM 1478 CB VAL A 86 -77.170 1.553 7.335 1.00 0.00 C ATOM 1479 CG1 VAL A 86 -77.074 0.348 6.398 1.00 0.00 C ATOM 1480 CG2 VAL A 86 -78.611 2.057 7.435 1.00 0.00 C ATOM 0 H VAL A 86 -75.602 -0.608 8.510 1.00 0.00 H new ATOM 0 HA VAL A 86 -76.364 2.168 9.194 1.00 0.00 H new ATOM 0 HB VAL A 86 -76.564 2.354 6.913 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -77.479 0.613 5.422 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -76.030 0.054 6.290 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -77.644 -0.483 6.814 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -78.986 2.288 6.438 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -79.235 1.287 7.888 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -78.640 2.956 8.051 1.00 0.00 H new ATOM 1490 N ASP A 87 -78.573 -0.155 8.975 1.00 0.00 N ATOM 1491 CA ASP A 87 -79.603 -0.878 9.702 1.00 0.00 C ATOM 1492 C ASP A 87 -80.219 -1.937 8.786 1.00 0.00 C ATOM 1493 O ASP A 87 -79.936 -1.968 7.589 1.00 0.00 O ATOM 1494 CB ASP A 87 -80.721 0.064 10.155 1.00 0.00 C ATOM 1495 CG ASP A 87 -81.715 -0.543 11.147 1.00 0.00 C ATOM 1496 OD1 ASP A 87 -81.329 -1.276 12.070 1.00 0.00 O ATOM 1497 OD2 ASP A 87 -82.950 -0.233 10.940 1.00 0.00 O ATOM 0 H ASP A 87 -78.653 -0.205 7.959 1.00 0.00 H new ATOM 0 HA ASP A 87 -79.141 -1.336 10.576 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -80.270 0.946 10.609 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -81.269 0.403 9.276 1.00 0.00 H new ATOM 1503 N LEU A 88 -81.050 -2.779 9.383 1.00 0.00 N ATOM 1504 CA LEU A 88 -81.708 -3.837 8.635 1.00 0.00 C ATOM 1505 C LEU A 88 -80.737 -4.401 7.596 1.00 0.00 C ATOM 1506 O LEU A 88 -81.155 -4.844 6.527 1.00 0.00 O ATOM 1507 CB LEU A 88 -83.023 -3.333 8.038 1.00 0.00 C ATOM 1508 CG LEU A 88 -82.898 -2.369 6.856 1.00 0.00 C ATOM 1509 CD1 LEU A 88 -83.523 -2.965 5.594 1.00 0.00 C ATOM 1510 CD2 LEU A 88 -83.491 -1.001 7.199 1.00 0.00 C ATOM 0 H LEU A 88 -81.283 -2.750 10.376 1.00 0.00 H new ATOM 0 HA LEU A 88 -81.980 -4.659 9.297 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -83.607 -4.195 7.717 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -83.591 -2.838 8.826 1.00 0.00 H new ATOM 0 HG LEU A 88 -81.839 -2.218 6.649 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -83.421 -2.260 4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -83.015 -3.896 5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -84.580 -3.165 5.771 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -83.389 -0.335 6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -84.546 -1.114 7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -82.961 -0.578 8.052 1.00 0.00 H new ATOM 1522 N ALA A 89 -79.460 -4.368 7.947 1.00 0.00 N ATOM 1523 CA ALA A 89 -78.426 -4.870 7.058 1.00 0.00 C ATOM 1524 C ALA A 89 -78.597 -4.237 5.675 1.00 0.00 C ATOM 1525 O ALA A 89 -79.157 -4.855 4.771 1.00 0.00 O ATOM 1526 CB ALA A 89 -78.491 -6.398 7.011 1.00 0.00 C ATOM 0 H ALA A 89 -79.118 -4.001 8.835 1.00 0.00 H new ATOM 0 HA ALA A 89 -77.437 -4.596 7.426 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -77.715 -6.775 6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -78.335 -6.800 8.012 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -79.469 -6.709 6.643 1.00 0.00 H new ATOM 1532 N LYS A 90 -78.103 -3.014 5.555 1.00 0.00 N ATOM 1533 CA LYS A 90 -78.194 -2.291 4.298 1.00 0.00 C ATOM 1534 C LYS A 90 -79.661 -1.968 4.005 1.00 0.00 C ATOM 1535 O LYS A 90 -80.516 -2.851 4.053 1.00 0.00 O ATOM 1536 CB LYS A 90 -77.501 -3.071 3.179 1.00 0.00 C ATOM 1537 CG LYS A 90 -76.032 -2.663 3.054 1.00 0.00 C ATOM 1538 CD LYS A 90 -75.130 -3.891 2.920 1.00 0.00 C ATOM 1539 CE LYS A 90 -74.005 -3.639 1.915 1.00 0.00 C ATOM 1540 NZ LYS A 90 -72.734 -4.221 2.402 1.00 0.00 N ATOM 0 H LYS A 90 -77.638 -2.505 6.307 1.00 0.00 H new ATOM 0 HA LYS A 90 -77.665 -1.340 4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -77.569 -4.140 3.380 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -78.014 -2.891 2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -75.903 -2.017 2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -75.736 -2.084 3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -74.705 -4.142 3.892 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -75.722 -4.748 2.600 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -74.266 -4.076 0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -73.884 -2.567 1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -71.981 -4.041 1.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -72.478 -3.785 3.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -72.848 -5.247 2.530 1.00 0.00 H new ATOM 1553 N THR A 91 -79.906 -0.700 3.707 1.00 0.00 N ATOM 1554 CA THR A 91 -81.255 -0.250 3.407 1.00 0.00 C ATOM 1555 C THR A 91 -81.438 -0.086 1.897 1.00 0.00 C ATOM 1556 O THR A 91 -81.777 0.997 1.423 1.00 0.00 O ATOM 1557 CB THR A 91 -81.510 1.037 4.193 1.00 0.00 C ATOM 1558 OG1 THR A 91 -82.880 1.334 3.938 1.00 0.00 O ATOM 1559 CG2 THR A 91 -80.755 2.236 3.615 1.00 0.00 C ATOM 0 H THR A 91 -79.194 0.029 3.667 1.00 0.00 H new ATOM 0 HA THR A 91 -81.996 -0.988 3.715 1.00 0.00 H new ATOM 0 HB THR A 91 -81.217 0.891 5.233 1.00 0.00 H new ATOM 0 HG1 THR A 91 -83.010 1.478 2.977 1.00 0.00 H new ATOM 0 HG21 THR A 91 -80.971 3.123 4.210 1.00 0.00 H new ATOM 0 HG22 THR A 91 -79.684 2.036 3.637 1.00 0.00 H new ATOM 0 HG23 THR A 91 -81.072 2.404 2.586 1.00 0.00 H new ATOM 1567 N GLN A 92 -81.206 -1.178 1.183 1.00 0.00 N ATOM 1568 CA GLN A 92 -81.341 -1.169 -0.264 1.00 0.00 C ATOM 1569 C GLN A 92 -82.155 -2.378 -0.729 1.00 0.00 C ATOM 1570 O GLN A 92 -81.666 -3.200 -1.503 1.00 0.00 O ATOM 1571 CB GLN A 92 -79.970 -1.137 -0.943 1.00 0.00 C ATOM 1572 CG GLN A 92 -79.131 -2.352 -0.541 1.00 0.00 C ATOM 1573 CD GLN A 92 -77.643 -2.099 -0.795 1.00 0.00 C ATOM 1574 OE1 GLN A 92 -77.051 -2.614 -1.729 1.00 0.00 O ATOM 1575 NE2 GLN A 92 -77.075 -1.279 0.085 1.00 0.00 N ATOM 0 H GLN A 92 -80.925 -2.075 1.580 1.00 0.00 H new ATOM 0 HA GLN A 92 -81.874 -0.264 -0.554 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -80.097 -1.120 -2.025 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -79.446 -0.222 -0.669 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -79.291 -2.576 0.514 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -79.456 -3.226 -1.105 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -77.629 -0.882 0.844 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -76.085 -1.047 0.001 1.00 0.00 H new TER 1584 GLN A 92