USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 964 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 NoAdj-H: A 77 HIS HD1 : A 77 HIS ND1 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 77 HIS HE2 : A 77 HIS NE2 : A 500 ZNZN :(H bumps) USER MOD Set 1.1: A 37 ASN : amide:sc= 0.00359 K(o=-0.6,f=0.17) USER MOD Set 1.2: A 81 HIS : no HD1:sc= 1.13 K(o=-0.6,f=-10!) USER MOD Set 1.3: A 100 HIS : no HD1:sc= -1.73! C(o=-0.6!,f=-12!) USER MOD Set 2.1: A 98 GLN : amide:sc= -1.17 K(o=-1.9,f=-0.52) USER MOD Set 2.2: A 99 GLN : amide:sc= -0.77! K(o=-1.9!,f=-1.3) USER MOD Set 3.1: A 46 GLN : amide:sc= 0.731 K(o=2,f=-9!) USER MOD Set 3.2: A 49 LYS NZ :NH3+ -179:sc= 1.23 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= -1.09 (180deg=-1.55) USER MOD Single : A 9 LYS NZ :NH3+ -178:sc= -3.76! (180deg=-3.87!) USER MOD Single : A 12 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.76) USER MOD Single : A 13 GLN : amide:sc= -0.515 X(o=-0.51,f=-0.044) USER MOD Single : A 16 LYS NZ :NH3+ 170:sc=-0.00421 (180deg=-0.115) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.13) USER MOD Single : A 24 LYS NZ :NH3+ -165:sc= 1.16 (180deg=0.82) USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0498) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -2.46! C(o=-2.5!,f=-7.5!) USER MOD Single : A 42 LYS NZ :NH3+ -158:sc= 0.472 (180deg=0.0767) USER MOD Single : A 45 LYS NZ :NH3+ -128:sc= 1.05 (180deg=-1.19) USER MOD Single : A 51 TYR OH : rot 141:sc= 0.138 USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 1.22 (180deg=0.974) USER MOD Single : A 57 LYS NZ :NH3+ 139:sc= 1.21 (180deg=1.01) USER MOD Single : A 60 ASN : amide:sc= 0.906 K(o=0.91,f=-9.3!) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0804) USER MOD Single : A 65 GLN : amide:sc= -0.167 K(o=-0.17,f=-1.2) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -162:sc= -0.0246 (180deg=-0.258) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0758 USER MOD Single : A 86 LYS NZ :NH3+ -127:sc= -0.64 (180deg=-1.44) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 89 ASN : amide:sc= 0.0723 K(o=0.072,f=-1.9) USER MOD Single : A 92 GLN : amide:sc=-0.00583 X(o=-0.0058,f=-0.011) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 105 GLN : amide:sc= -0.475 X(o=-0.48,f=-0.62) USER MOD Single : A 107 HIS : no HD1:sc= -4.69! C(o=-3.9!,f=-12!) USER MOD Single : A 113 LYS NZ :NH3+ -178:sc= 0.191 (180deg=0.11) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -1.69! K(o=-1.7!,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.396 -4.559 2.211 1.00 0.00 N ATOM 2 CA MET A 1 -16.675 -4.588 1.467 1.00 0.00 C ATOM 3 C MET A 1 -17.266 -5.995 1.502 1.00 0.00 C ATOM 4 O MET A 1 -17.922 -6.366 2.472 1.00 0.00 O ATOM 5 CB MET A 1 -16.466 -4.112 0.020 1.00 0.00 C ATOM 6 CG MET A 1 -17.747 -4.027 -0.799 1.00 0.00 C ATOM 7 SD MET A 1 -17.442 -3.527 -2.504 1.00 0.00 S ATOM 8 CE MET A 1 -19.088 -3.678 -3.197 1.00 0.00 C ATOM 0 H1 MET A 1 -14.878 -3.688 1.977 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.588 -4.583 3.233 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.822 -5.385 1.947 1.00 0.00 H new ATOM 0 HA MET A 1 -17.380 -3.907 1.944 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.993 -3.130 0.037 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.774 -4.791 -0.478 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.245 -4.997 -0.791 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.428 -3.316 -0.331 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.066 -3.402 -4.251 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.431 -4.708 -3.099 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.770 -3.016 -2.663 1.00 0.00 H new ATOM 20 N ASP A 2 -16.997 -6.783 0.469 1.00 0.00 N ATOM 21 CA ASP A 2 -17.520 -8.141 0.385 1.00 0.00 C ATOM 22 C ASP A 2 -16.478 -9.075 -0.202 1.00 0.00 C ATOM 23 O ASP A 2 -15.887 -9.887 0.504 1.00 0.00 O ATOM 24 CB ASP A 2 -18.790 -8.188 -0.475 1.00 0.00 C ATOM 25 CG ASP A 2 -19.990 -7.545 0.192 1.00 0.00 C ATOM 26 OD1 ASP A 2 -20.512 -8.124 1.163 1.00 0.00 O ATOM 27 OD2 ASP A 2 -20.430 -6.464 -0.262 1.00 0.00 O ATOM 0 H ASP A 2 -16.419 -6.505 -0.324 1.00 0.00 H new ATOM 0 HA ASP A 2 -17.767 -8.465 1.396 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -18.597 -7.686 -1.423 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -19.025 -9.227 -0.707 1.00 0.00 H new ATOM 32 N GLU A 3 -16.246 -8.936 -1.499 1.00 0.00 N ATOM 33 CA GLU A 3 -15.290 -9.777 -2.202 1.00 0.00 C ATOM 34 C GLU A 3 -13.857 -9.347 -1.902 1.00 0.00 C ATOM 35 O GLU A 3 -13.577 -8.160 -1.722 1.00 0.00 O ATOM 36 CB GLU A 3 -15.569 -9.736 -3.700 1.00 0.00 C ATOM 37 CG GLU A 3 -16.867 -10.423 -4.083 1.00 0.00 C ATOM 38 CD GLU A 3 -17.258 -10.178 -5.522 1.00 0.00 C ATOM 39 OE1 GLU A 3 -16.558 -10.672 -6.431 1.00 0.00 O ATOM 40 OE2 GLU A 3 -18.278 -9.495 -5.750 1.00 0.00 O ATOM 0 H GLU A 3 -16.710 -8.245 -2.088 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.404 -10.803 -1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.604 -8.697 -4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.743 -10.211 -4.230 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -16.768 -11.496 -3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -17.665 -10.071 -3.430 1.00 0.00 H new ATOM 47 N LEU A 4 -12.961 -10.324 -1.857 1.00 0.00 N ATOM 48 CA LEU A 4 -11.580 -10.090 -1.444 1.00 0.00 C ATOM 49 C LEU A 4 -10.684 -9.792 -2.638 1.00 0.00 C ATOM 50 O LEU A 4 -9.684 -9.085 -2.513 1.00 0.00 O ATOM 51 CB LEU A 4 -11.020 -11.303 -0.685 1.00 0.00 C ATOM 52 CG LEU A 4 -11.604 -11.559 0.711 1.00 0.00 C ATOM 53 CD1 LEU A 4 -13.033 -12.077 0.635 1.00 0.00 C ATOM 54 CD2 LEU A 4 -10.722 -12.533 1.475 1.00 0.00 C ATOM 0 H LEU A 4 -13.166 -11.293 -2.103 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.588 -9.222 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.184 -12.193 -1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.942 -11.178 -0.587 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.629 -10.609 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.413 -12.247 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.660 -11.342 0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.051 -13.014 0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.145 -12.708 2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.667 -13.476 0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.721 -12.114 1.577 1.00 0.00 H new ATOM 66 N ARG A 5 -11.043 -10.330 -3.799 1.00 0.00 N ATOM 67 CA ARG A 5 -10.241 -10.150 -5.004 1.00 0.00 C ATOM 68 C ARG A 5 -10.157 -8.672 -5.373 1.00 0.00 C ATOM 69 O ARG A 5 -9.135 -8.197 -5.873 1.00 0.00 O ATOM 70 CB ARG A 5 -10.819 -10.956 -6.169 1.00 0.00 C ATOM 71 CG ARG A 5 -9.816 -11.199 -7.283 1.00 0.00 C ATOM 72 CD ARG A 5 -8.638 -12.020 -6.784 1.00 0.00 C ATOM 73 NE ARG A 5 -7.633 -12.240 -7.820 1.00 0.00 N ATOM 74 CZ ARG A 5 -6.495 -12.903 -7.625 1.00 0.00 C ATOM 75 NH1 ARG A 5 -6.201 -13.401 -6.427 1.00 0.00 N ATOM 76 NH2 ARG A 5 -5.648 -13.063 -8.630 1.00 0.00 N ATOM 0 H ARG A 5 -11.883 -10.894 -3.931 1.00 0.00 H new ATOM 0 HA ARG A 5 -9.235 -10.517 -4.800 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.178 -11.915 -5.796 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.682 -10.428 -6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.302 -11.718 -8.109 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.460 -10.245 -7.672 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -8.177 -11.511 -5.937 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -8.998 -12.983 -6.421 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.814 -11.863 -8.750 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -6.849 -13.276 -5.650 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -5.327 -13.908 -6.286 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.869 -12.679 -9.549 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -4.775 -13.570 -8.485 1.00 0.00 H new ATOM 90 N GLU A 6 -11.244 -7.952 -5.141 1.00 0.00 N ATOM 91 CA GLU A 6 -11.279 -6.521 -5.403 1.00 0.00 C ATOM 92 C GLU A 6 -10.327 -5.782 -4.466 1.00 0.00 C ATOM 93 O GLU A 6 -9.656 -4.832 -4.870 1.00 0.00 O ATOM 94 CB GLU A 6 -12.703 -5.980 -5.247 1.00 0.00 C ATOM 95 CG GLU A 6 -13.747 -6.767 -6.025 1.00 0.00 C ATOM 96 CD GLU A 6 -13.288 -7.127 -7.424 1.00 0.00 C ATOM 97 OE1 GLU A 6 -13.165 -6.221 -8.273 1.00 0.00 O ATOM 98 OE2 GLU A 6 -13.018 -8.316 -7.676 1.00 0.00 O ATOM 0 H GLU A 6 -12.114 -8.335 -4.772 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.955 -6.354 -6.430 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.970 -5.986 -4.190 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.725 -4.941 -5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.988 -7.680 -5.480 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.664 -6.182 -6.088 1.00 0.00 H new ATOM 105 N LEU A 7 -10.251 -6.252 -3.227 1.00 0.00 N ATOM 106 CA LEU A 7 -9.410 -5.630 -2.210 1.00 0.00 C ATOM 107 C LEU A 7 -7.934 -5.825 -2.540 1.00 0.00 C ATOM 108 O LEU A 7 -7.130 -4.901 -2.421 1.00 0.00 O ATOM 109 CB LEU A 7 -9.702 -6.244 -0.838 1.00 0.00 C ATOM 110 CG LEU A 7 -11.181 -6.276 -0.425 1.00 0.00 C ATOM 111 CD1 LEU A 7 -11.349 -6.995 0.905 1.00 0.00 C ATOM 112 CD2 LEU A 7 -11.748 -4.869 -0.338 1.00 0.00 C ATOM 0 H LEU A 7 -10.766 -7.069 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.634 -4.563 -2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.319 -7.264 -0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.145 -5.687 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.734 -6.823 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.403 -7.008 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.986 -8.019 0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.779 -6.475 1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.797 -4.917 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.189 -4.297 0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.666 -4.383 -1.310 1.00 0.00 H new ATOM 124 N LEU A 8 -7.596 -7.036 -2.975 1.00 0.00 N ATOM 125 CA LEU A 8 -6.215 -7.398 -3.285 1.00 0.00 C ATOM 126 C LEU A 8 -5.641 -6.515 -4.391 1.00 0.00 C ATOM 127 O LEU A 8 -4.455 -6.178 -4.383 1.00 0.00 O ATOM 128 CB LEU A 8 -6.142 -8.868 -3.708 1.00 0.00 C ATOM 129 CG LEU A 8 -4.733 -9.396 -3.986 1.00 0.00 C ATOM 130 CD1 LEU A 8 -3.901 -9.389 -2.716 1.00 0.00 C ATOM 131 CD2 LEU A 8 -4.796 -10.792 -4.580 1.00 0.00 C ATOM 0 H LEU A 8 -8.267 -7.790 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.619 -7.245 -2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.593 -9.478 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.747 -9.002 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.254 -8.738 -4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.902 -9.768 -2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.828 -8.371 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.375 -10.024 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.785 -11.152 -4.771 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.294 -11.463 -3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.355 -10.764 -5.516 1.00 0.00 H new ATOM 143 N LYS A 9 -6.491 -6.135 -5.335 1.00 0.00 N ATOM 144 CA LYS A 9 -6.065 -5.312 -6.459 1.00 0.00 C ATOM 145 C LYS A 9 -5.595 -3.935 -5.997 1.00 0.00 C ATOM 146 O LYS A 9 -4.697 -3.353 -6.600 1.00 0.00 O ATOM 147 CB LYS A 9 -7.177 -5.179 -7.503 1.00 0.00 C ATOM 148 CG LYS A 9 -7.445 -6.466 -8.268 1.00 0.00 C ATOM 149 CD LYS A 9 -8.303 -6.220 -9.502 1.00 0.00 C ATOM 150 CE LYS A 9 -9.729 -5.838 -9.145 1.00 0.00 C ATOM 151 NZ LYS A 9 -10.465 -6.972 -8.529 1.00 0.00 N ATOM 0 H LYS A 9 -7.480 -6.384 -5.345 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.219 -5.816 -6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.095 -4.862 -7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.909 -4.394 -8.210 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.498 -6.915 -8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.945 -7.181 -7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.856 -5.427 -10.101 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.313 -7.118 -10.120 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.718 -4.994 -8.455 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.253 -5.509 -10.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.444 -6.683 -8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.468 -7.780 -9.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.998 -7.247 -7.641 1.00 0.00 H new ATOM 165 N ALA A 10 -6.203 -3.423 -4.930 1.00 0.00 N ATOM 166 CA ALA A 10 -5.821 -2.123 -4.384 1.00 0.00 C ATOM 167 C ALA A 10 -4.350 -2.120 -3.965 1.00 0.00 C ATOM 168 O ALA A 10 -3.608 -1.185 -4.268 1.00 0.00 O ATOM 169 CB ALA A 10 -6.715 -1.759 -3.203 1.00 0.00 C ATOM 0 H ALA A 10 -6.960 -3.886 -4.427 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.953 -1.373 -5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.418 -0.788 -2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.753 -1.714 -3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.614 -2.515 -2.424 1.00 0.00 H new ATOM 175 N GLU A 11 -3.936 -3.187 -3.289 1.00 0.00 N ATOM 176 CA GLU A 11 -2.551 -3.340 -2.855 1.00 0.00 C ATOM 177 C GLU A 11 -1.617 -3.450 -4.058 1.00 0.00 C ATOM 178 O GLU A 11 -0.548 -2.841 -4.084 1.00 0.00 O ATOM 179 CB GLU A 11 -2.412 -4.577 -1.961 1.00 0.00 C ATOM 180 CG GLU A 11 -3.107 -4.437 -0.615 1.00 0.00 C ATOM 181 CD GLU A 11 -2.304 -3.622 0.384 1.00 0.00 C ATOM 182 OE1 GLU A 11 -2.030 -2.447 0.156 1.00 0.00 O ATOM 183 OE2 GLU A 11 -1.903 -4.152 1.428 1.00 0.00 O ATOM 0 H GLU A 11 -4.544 -3.963 -3.028 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.270 -2.456 -2.282 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.822 -5.441 -2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.354 -4.778 -1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.079 -3.967 -0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.291 -5.429 -0.202 1.00 0.00 H new ATOM 190 N GLN A 12 -2.037 -4.216 -5.063 1.00 0.00 N ATOM 191 CA GLN A 12 -1.251 -4.389 -6.280 1.00 0.00 C ATOM 192 C GLN A 12 -1.133 -3.077 -7.049 1.00 0.00 C ATOM 193 O GLN A 12 -0.090 -2.781 -7.632 1.00 0.00 O ATOM 194 CB GLN A 12 -1.877 -5.465 -7.166 1.00 0.00 C ATOM 195 CG GLN A 12 -1.671 -6.880 -6.648 1.00 0.00 C ATOM 196 CD GLN A 12 -0.211 -7.301 -6.639 1.00 0.00 C ATOM 197 OE1 GLN A 12 0.587 -6.842 -7.456 1.00 0.00 O ATOM 198 NE2 GLN A 12 0.145 -8.185 -5.718 1.00 0.00 N ATOM 0 H GLN A 12 -2.920 -4.727 -5.057 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.248 -4.705 -5.992 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.946 -5.273 -7.256 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.454 -5.389 -8.168 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.071 -6.953 -5.637 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.240 -7.574 -7.266 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.547 -8.541 -5.059 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.111 -8.509 -5.668 1.00 0.00 H new ATOM 207 N GLN A 13 -2.204 -2.288 -7.040 1.00 0.00 N ATOM 208 CA GLN A 13 -2.201 -0.980 -7.682 1.00 0.00 C ATOM 209 C GLN A 13 -1.165 -0.081 -7.026 1.00 0.00 C ATOM 210 O GLN A 13 -0.404 0.604 -7.712 1.00 0.00 O ATOM 211 CB GLN A 13 -3.588 -0.342 -7.590 1.00 0.00 C ATOM 212 CG GLN A 13 -3.705 1.006 -8.292 1.00 0.00 C ATOM 213 CD GLN A 13 -3.372 0.941 -9.770 1.00 0.00 C ATOM 214 OE1 GLN A 13 -4.241 0.690 -10.606 1.00 0.00 O ATOM 215 NE2 GLN A 13 -2.112 1.178 -10.104 1.00 0.00 N ATOM 0 H GLN A 13 -3.087 -2.534 -6.593 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.944 -1.105 -8.734 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.319 -1.027 -8.019 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.848 -0.215 -6.539 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.720 1.384 -8.171 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.039 1.720 -7.807 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.422 1.382 -9.381 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.832 1.156 -11.084 1.00 0.00 H new ATOM 224 N GLY A 14 -1.134 -0.101 -5.699 1.00 0.00 N ATOM 225 CA GLY A 14 -0.130 0.653 -4.971 1.00 0.00 C ATOM 226 C GLY A 14 1.276 0.222 -5.336 1.00 0.00 C ATOM 227 O GLY A 14 2.132 1.057 -5.613 1.00 0.00 O ATOM 0 H GLY A 14 -1.785 -0.625 -5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.250 1.716 -5.182 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.283 0.522 -3.900 1.00 0.00 H new ATOM 231 N ILE A 15 1.492 -1.089 -5.372 1.00 0.00 N ATOM 232 CA ILE A 15 2.782 -1.663 -5.754 1.00 0.00 C ATOM 233 C ILE A 15 3.204 -1.194 -7.148 1.00 0.00 C ATOM 234 O ILE A 15 4.355 -0.808 -7.365 1.00 0.00 O ATOM 235 CB ILE A 15 2.726 -3.212 -5.730 1.00 0.00 C ATOM 236 CG1 ILE A 15 2.486 -3.707 -4.304 1.00 0.00 C ATOM 237 CG2 ILE A 15 4.008 -3.810 -6.294 1.00 0.00 C ATOM 238 CD1 ILE A 15 2.301 -5.208 -4.202 1.00 0.00 C ATOM 0 H ILE A 15 0.782 -1.783 -5.139 1.00 0.00 H new ATOM 0 HA ILE A 15 3.518 -1.319 -5.027 1.00 0.00 H new ATOM 0 HB ILE A 15 1.897 -3.537 -6.359 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.329 -3.411 -3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.602 -3.213 -3.902 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.945 -4.898 -6.267 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.141 -3.480 -7.324 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.857 -3.481 -5.695 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.136 -5.484 -3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.440 -5.510 -4.799 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.194 -5.711 -4.573 1.00 0.00 H new ATOM 250 N LYS A 16 2.258 -1.222 -8.081 1.00 0.00 N ATOM 251 CA LYS A 16 2.513 -0.806 -9.454 1.00 0.00 C ATOM 252 C LYS A 16 2.961 0.655 -9.502 1.00 0.00 C ATOM 253 O LYS A 16 3.927 0.998 -10.187 1.00 0.00 O ATOM 254 CB LYS A 16 1.254 -1.006 -10.307 1.00 0.00 C ATOM 255 CG LYS A 16 1.467 -0.774 -11.796 1.00 0.00 C ATOM 256 CD LYS A 16 0.174 -0.971 -12.573 1.00 0.00 C ATOM 257 CE LYS A 16 0.382 -0.808 -14.071 1.00 0.00 C ATOM 258 NZ LYS A 16 1.246 -1.879 -14.639 1.00 0.00 N ATOM 0 H LYS A 16 1.301 -1.531 -7.908 1.00 0.00 H new ATOM 0 HA LYS A 16 3.316 -1.422 -9.859 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.885 -2.021 -10.158 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.477 -0.329 -9.952 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.842 0.236 -11.959 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.227 -1.461 -12.169 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.225 -1.964 -12.368 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.569 -0.252 -12.229 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.585 -0.819 -14.574 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.833 0.164 -14.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.223 -1.829 -15.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.223 -1.749 -14.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.896 -2.808 -14.330 1.00 0.00 H new ATOM 272 N ILE A 17 2.267 1.510 -8.755 1.00 0.00 N ATOM 273 CA ILE A 17 2.599 2.931 -8.717 1.00 0.00 C ATOM 274 C ILE A 17 3.938 3.156 -8.009 1.00 0.00 C ATOM 275 O ILE A 17 4.720 4.020 -8.406 1.00 0.00 O ATOM 276 CB ILE A 17 1.496 3.755 -8.011 1.00 0.00 C ATOM 277 CG1 ILE A 17 0.137 3.503 -8.668 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.834 5.238 -8.057 1.00 0.00 C ATOM 279 CD1 ILE A 17 -1.013 4.210 -7.980 1.00 0.00 C ATOM 0 H ILE A 17 1.474 1.245 -8.170 1.00 0.00 H new ATOM 0 HA ILE A 17 2.675 3.271 -9.750 1.00 0.00 H new ATOM 0 HB ILE A 17 1.443 3.439 -6.969 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.181 3.826 -9.708 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.060 2.431 -8.676 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.049 5.806 -7.557 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.785 5.410 -7.552 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.910 5.562 -9.095 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.943 3.984 -8.502 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.084 3.869 -6.947 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.840 5.286 -7.996 1.00 0.00 H new ATOM 291 N LEU A 18 4.204 2.356 -6.980 1.00 0.00 N ATOM 292 CA LEU A 18 5.450 2.454 -6.220 1.00 0.00 C ATOM 293 C LEU A 18 6.665 2.284 -7.128 1.00 0.00 C ATOM 294 O LEU A 18 7.662 2.992 -6.982 1.00 0.00 O ATOM 295 CB LEU A 18 5.487 1.399 -5.107 1.00 0.00 C ATOM 296 CG LEU A 18 4.537 1.647 -3.936 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.558 0.464 -2.982 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.911 2.928 -3.207 1.00 0.00 C ATOM 0 H LEU A 18 3.570 1.628 -6.651 1.00 0.00 H new ATOM 0 HA LEU A 18 5.486 3.448 -5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.253 0.428 -5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.504 1.339 -4.721 1.00 0.00 H new ATOM 0 HG LEU A 18 3.526 1.760 -4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.877 0.654 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.244 -0.436 -3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.568 0.325 -2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.223 3.088 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.929 2.845 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.849 3.770 -3.896 1.00 0.00 H new ATOM 310 N LYS A 19 6.568 1.357 -8.074 1.00 0.00 N ATOM 311 CA LYS A 19 7.657 1.097 -9.006 1.00 0.00 C ATOM 312 C LYS A 19 7.887 2.288 -9.934 1.00 0.00 C ATOM 313 O LYS A 19 9.024 2.591 -10.297 1.00 0.00 O ATOM 314 CB LYS A 19 7.374 -0.168 -9.816 1.00 0.00 C ATOM 315 CG LYS A 19 7.368 -1.426 -8.961 1.00 0.00 C ATOM 316 CD LYS A 19 7.104 -2.678 -9.783 1.00 0.00 C ATOM 317 CE LYS A 19 8.150 -2.873 -10.870 1.00 0.00 C ATOM 318 NZ LYS A 19 8.008 -4.188 -11.546 1.00 0.00 N ATOM 0 H LYS A 19 5.744 0.772 -8.215 1.00 0.00 H new ATOM 0 HA LYS A 19 8.568 0.945 -8.426 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.409 -0.067 -10.313 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.127 -0.269 -10.598 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.328 -1.523 -8.453 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.606 -1.334 -8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.096 -3.548 -9.127 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.116 -2.612 -10.238 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.061 -2.075 -11.607 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.146 -2.795 -10.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.739 -4.282 -12.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.118 -4.951 -10.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.067 -4.253 -11.984 1.00 0.00 H new ATOM 332 N GLU A 20 6.809 2.968 -10.306 1.00 0.00 N ATOM 333 CA GLU A 20 6.915 4.158 -11.143 1.00 0.00 C ATOM 334 C GLU A 20 7.481 5.326 -10.342 1.00 0.00 C ATOM 335 O GLU A 20 8.217 6.158 -10.877 1.00 0.00 O ATOM 336 CB GLU A 20 5.557 4.534 -11.736 1.00 0.00 C ATOM 337 CG GLU A 20 5.053 3.546 -12.776 1.00 0.00 C ATOM 338 CD GLU A 20 6.037 3.364 -13.913 1.00 0.00 C ATOM 339 OE1 GLU A 20 6.388 4.371 -14.568 1.00 0.00 O ATOM 340 OE2 GLU A 20 6.463 2.216 -14.158 1.00 0.00 O ATOM 0 H GLU A 20 5.856 2.718 -10.043 1.00 0.00 H new ATOM 0 HA GLU A 20 7.596 3.932 -11.964 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.826 4.606 -10.931 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.629 5.522 -12.191 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.867 2.583 -12.300 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.100 3.894 -13.174 1.00 0.00 H new ATOM 347 N VAL A 21 7.129 5.386 -9.063 1.00 0.00 N ATOM 348 CA VAL A 21 7.664 6.405 -8.168 1.00 0.00 C ATOM 349 C VAL A 21 9.170 6.237 -8.003 1.00 0.00 C ATOM 350 O VAL A 21 9.911 7.218 -7.996 1.00 0.00 O ATOM 351 CB VAL A 21 6.987 6.359 -6.781 1.00 0.00 C ATOM 352 CG1 VAL A 21 7.657 7.318 -5.810 1.00 0.00 C ATOM 353 CG2 VAL A 21 5.512 6.690 -6.901 1.00 0.00 C ATOM 0 H VAL A 21 6.474 4.740 -8.622 1.00 0.00 H new ATOM 0 HA VAL A 21 7.453 7.374 -8.621 1.00 0.00 H new ATOM 0 HB VAL A 21 7.095 5.347 -6.391 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.158 7.263 -4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.706 7.045 -5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.588 8.335 -6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.049 6.653 -5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.396 7.690 -7.319 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.028 5.965 -7.556 1.00 0.00 H new ATOM 363 N LEU A 22 9.616 4.986 -7.885 1.00 0.00 N ATOM 364 CA LEU A 22 11.043 4.685 -7.788 1.00 0.00 C ATOM 365 C LEU A 22 11.797 5.276 -8.973 1.00 0.00 C ATOM 366 O LEU A 22 12.900 5.799 -8.826 1.00 0.00 O ATOM 367 CB LEU A 22 11.270 3.171 -7.728 1.00 0.00 C ATOM 368 CG LEU A 22 10.826 2.498 -6.430 1.00 0.00 C ATOM 369 CD1 LEU A 22 10.913 0.989 -6.555 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.677 2.976 -5.266 1.00 0.00 C ATOM 0 H LEU A 22 9.010 4.166 -7.854 1.00 0.00 H new ATOM 0 HA LEU A 22 11.423 5.135 -6.871 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.739 2.707 -8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.331 2.973 -7.877 1.00 0.00 H new ATOM 0 HG LEU A 22 9.788 2.772 -6.241 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.593 0.527 -5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.267 0.653 -7.366 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.942 0.700 -6.768 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.347 2.487 -4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.722 2.729 -5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.573 4.056 -5.159 1.00 0.00 H new ATOM 382 N LYS A 23 11.180 5.201 -10.144 1.00 0.00 N ATOM 383 CA LYS A 23 11.769 5.756 -11.352 1.00 0.00 C ATOM 384 C LYS A 23 11.837 7.275 -11.262 1.00 0.00 C ATOM 385 O LYS A 23 12.873 7.870 -11.535 1.00 0.00 O ATOM 386 CB LYS A 23 10.952 5.350 -12.580 1.00 0.00 C ATOM 387 CG LYS A 23 10.827 3.849 -12.766 1.00 0.00 C ATOM 388 CD LYS A 23 9.914 3.510 -13.930 1.00 0.00 C ATOM 389 CE LYS A 23 9.759 2.010 -14.099 1.00 0.00 C ATOM 390 NZ LYS A 23 8.845 1.671 -15.222 1.00 0.00 N ATOM 0 H LYS A 23 10.270 4.760 -10.282 1.00 0.00 H new ATOM 0 HA LYS A 23 12.780 5.360 -11.451 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.954 5.781 -12.499 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.413 5.779 -13.469 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.814 3.419 -12.938 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.438 3.399 -11.853 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.935 3.962 -13.769 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.317 3.940 -14.847 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.736 1.562 -14.278 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.375 1.578 -13.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.739 0.638 -15.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.915 2.106 -15.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.241 2.032 -16.113 1.00 0.00 H new ATOM 404 N LYS A 24 10.737 7.890 -10.849 1.00 0.00 N ATOM 405 CA LYS A 24 10.647 9.344 -10.777 1.00 0.00 C ATOM 406 C LYS A 24 11.535 9.918 -9.678 1.00 0.00 C ATOM 407 O LYS A 24 12.052 11.027 -9.809 1.00 0.00 O ATOM 408 CB LYS A 24 9.196 9.773 -10.574 1.00 0.00 C ATOM 409 CG LYS A 24 8.361 9.640 -11.835 1.00 0.00 C ATOM 410 CD LYS A 24 8.851 10.590 -12.915 1.00 0.00 C ATOM 411 CE LYS A 24 8.224 10.284 -14.264 1.00 0.00 C ATOM 412 NZ LYS A 24 8.665 8.968 -14.798 1.00 0.00 N ATOM 0 H LYS A 24 9.890 7.402 -10.557 1.00 0.00 H new ATOM 0 HA LYS A 24 11.008 9.744 -11.725 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.751 9.169 -9.783 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.172 10.809 -10.236 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.408 8.614 -12.200 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.316 9.850 -11.607 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.617 11.616 -12.630 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.936 10.521 -12.995 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.138 10.291 -14.169 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.487 11.069 -14.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.428 8.906 -15.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.693 8.871 -14.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.182 8.205 -14.282 1.00 0.00 H new ATOM 426 N ALA A 25 11.715 9.166 -8.605 1.00 0.00 N ATOM 427 CA ALA A 25 12.612 9.574 -7.534 1.00 0.00 C ATOM 428 C ALA A 25 14.060 9.486 -7.998 1.00 0.00 C ATOM 429 O ALA A 25 14.897 10.309 -7.626 1.00 0.00 O ATOM 430 CB ALA A 25 12.388 8.717 -6.298 1.00 0.00 C ATOM 0 H ALA A 25 11.253 8.270 -8.451 1.00 0.00 H new ATOM 0 HA ALA A 25 12.397 10.610 -7.272 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.067 9.035 -5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.358 8.829 -5.959 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.579 7.672 -6.541 1.00 0.00 H new ATOM 436 N LYS A 26 14.342 8.486 -8.826 1.00 0.00 N ATOM 437 CA LYS A 26 15.664 8.316 -9.414 1.00 0.00 C ATOM 438 C LYS A 26 15.911 9.413 -10.449 1.00 0.00 C ATOM 439 O LYS A 26 17.023 9.933 -10.571 1.00 0.00 O ATOM 440 CB LYS A 26 15.765 6.918 -10.047 1.00 0.00 C ATOM 441 CG LYS A 26 17.161 6.505 -10.503 1.00 0.00 C ATOM 442 CD LYS A 26 17.531 7.099 -11.855 1.00 0.00 C ATOM 443 CE LYS A 26 18.860 6.557 -12.357 1.00 0.00 C ATOM 444 NZ LYS A 26 19.995 6.906 -11.459 1.00 0.00 N ATOM 0 H LYS A 26 13.666 7.776 -9.106 1.00 0.00 H new ATOM 0 HA LYS A 26 16.430 8.400 -8.643 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.405 6.184 -9.326 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.094 6.877 -10.905 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.892 6.821 -9.758 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.214 5.418 -10.560 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.748 6.874 -12.579 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.587 8.185 -11.774 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.795 5.473 -12.450 1.00 0.00 H new ATOM 0 HE3 LYS A 26 19.056 6.951 -13.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 20.889 6.603 -11.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 20.015 7.935 -11.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.875 6.425 -10.545 1.00 0.00 H new ATOM 458 N GLU A 27 14.864 9.757 -11.193 1.00 0.00 N ATOM 459 CA GLU A 27 14.937 10.822 -12.184 1.00 0.00 C ATOM 460 C GLU A 27 15.077 12.178 -11.508 1.00 0.00 C ATOM 461 O GLU A 27 15.795 13.051 -11.994 1.00 0.00 O ATOM 462 CB GLU A 27 13.697 10.820 -13.077 1.00 0.00 C ATOM 463 CG GLU A 27 13.555 9.571 -13.922 1.00 0.00 C ATOM 464 CD GLU A 27 12.347 9.621 -14.829 1.00 0.00 C ATOM 465 OE1 GLU A 27 12.438 10.252 -15.902 1.00 0.00 O ATOM 466 OE2 GLU A 27 11.310 9.014 -14.488 1.00 0.00 O ATOM 0 H GLU A 27 13.950 9.309 -11.126 1.00 0.00 H new ATOM 0 HA GLU A 27 15.817 10.641 -12.802 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.810 10.928 -12.452 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.732 11.690 -13.733 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.453 9.440 -14.525 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.480 8.701 -13.269 1.00 0.00 H new ATOM 473 N GLY A 28 14.384 12.345 -10.392 1.00 0.00 N ATOM 474 CA GLY A 28 14.445 13.587 -9.655 1.00 0.00 C ATOM 475 C GLY A 28 13.417 14.587 -10.139 1.00 0.00 C ATOM 476 O GLY A 28 13.643 15.796 -10.080 1.00 0.00 O ATOM 0 H GLY A 28 13.776 11.636 -9.982 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.285 13.388 -8.595 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.442 14.017 -9.752 1.00 0.00 H new ATOM 480 N ASP A 29 12.287 14.089 -10.622 1.00 0.00 N ATOM 481 CA ASP A 29 11.225 14.963 -11.108 1.00 0.00 C ATOM 482 C ASP A 29 10.137 15.100 -10.061 1.00 0.00 C ATOM 483 O ASP A 29 9.381 14.159 -9.818 1.00 0.00 O ATOM 484 CB ASP A 29 10.615 14.435 -12.406 1.00 0.00 C ATOM 485 CG ASP A 29 9.616 15.413 -12.992 1.00 0.00 C ATOM 486 OD1 ASP A 29 10.037 16.307 -13.759 1.00 0.00 O ATOM 487 OD2 ASP A 29 8.412 15.307 -12.677 1.00 0.00 O ATOM 0 H ASP A 29 12.081 13.092 -10.688 1.00 0.00 H new ATOM 0 HA ASP A 29 11.669 15.938 -11.307 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.407 14.246 -13.130 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.123 13.481 -12.216 1.00 0.00 H new ATOM 492 N GLU A 30 10.045 16.274 -9.459 1.00 0.00 N ATOM 493 CA GLU A 30 9.129 16.491 -8.349 1.00 0.00 C ATOM 494 C GLU A 30 7.692 16.667 -8.835 1.00 0.00 C ATOM 495 O GLU A 30 6.748 16.459 -8.077 1.00 0.00 O ATOM 496 CB GLU A 30 9.558 17.714 -7.533 1.00 0.00 C ATOM 497 CG GLU A 30 10.998 17.642 -7.049 1.00 0.00 C ATOM 498 CD GLU A 30 11.367 18.780 -6.120 1.00 0.00 C ATOM 499 OE1 GLU A 30 11.192 19.957 -6.506 1.00 0.00 O ATOM 500 OE2 GLU A 30 11.857 18.508 -5.003 1.00 0.00 O ATOM 0 H GLU A 30 10.594 17.093 -9.720 1.00 0.00 H new ATOM 0 HA GLU A 30 9.165 15.606 -7.714 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.431 18.610 -8.141 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.898 17.817 -6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.156 16.694 -6.534 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.666 17.652 -7.910 1.00 0.00 H new ATOM 507 N GLN A 31 7.530 17.024 -10.105 1.00 0.00 N ATOM 508 CA GLN A 31 6.205 17.303 -10.648 1.00 0.00 C ATOM 509 C GLN A 31 5.379 16.025 -10.758 1.00 0.00 C ATOM 510 O GLN A 31 4.238 15.971 -10.290 1.00 0.00 O ATOM 511 CB GLN A 31 6.329 17.966 -12.020 1.00 0.00 C ATOM 512 CG GLN A 31 4.994 18.201 -12.709 1.00 0.00 C ATOM 513 CD GLN A 31 5.157 18.774 -14.102 1.00 0.00 C ATOM 514 OE1 GLN A 31 5.273 18.034 -15.077 1.00 0.00 O ATOM 515 NE2 GLN A 31 5.168 20.091 -14.208 1.00 0.00 N ATOM 0 H GLN A 31 8.294 17.126 -10.773 1.00 0.00 H new ATOM 0 HA GLN A 31 5.694 17.982 -9.966 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.842 18.921 -11.907 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.953 17.342 -12.660 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.448 17.260 -12.768 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.392 18.882 -12.107 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.069 20.671 -13.375 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.276 20.528 -15.123 1.00 0.00 H new ATOM 524 N GLU A 32 5.956 15.001 -11.371 1.00 0.00 N ATOM 525 CA GLU A 32 5.294 13.710 -11.470 1.00 0.00 C ATOM 526 C GLU A 32 5.324 13.006 -10.116 1.00 0.00 C ATOM 527 O GLU A 32 4.354 12.368 -9.713 1.00 0.00 O ATOM 528 CB GLU A 32 5.962 12.842 -12.537 1.00 0.00 C ATOM 529 CG GLU A 32 5.173 11.586 -12.888 1.00 0.00 C ATOM 530 CD GLU A 32 3.994 11.855 -13.807 1.00 0.00 C ATOM 531 OE1 GLU A 32 2.895 12.177 -13.312 1.00 0.00 O ATOM 532 OE2 GLU A 32 4.162 11.726 -15.041 1.00 0.00 O ATOM 0 H GLU A 32 6.878 15.040 -11.806 1.00 0.00 H new ATOM 0 HA GLU A 32 4.256 13.871 -11.763 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.103 13.436 -13.440 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.953 12.552 -12.188 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.840 10.868 -13.365 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.811 11.124 -11.969 1.00 0.00 H new ATOM 539 N LEU A 33 6.446 13.149 -9.414 1.00 0.00 N ATOM 540 CA LEU A 33 6.658 12.472 -8.138 1.00 0.00 C ATOM 541 C LEU A 33 5.581 12.859 -7.128 1.00 0.00 C ATOM 542 O LEU A 33 5.007 11.996 -6.465 1.00 0.00 O ATOM 543 CB LEU A 33 8.041 12.826 -7.584 1.00 0.00 C ATOM 544 CG LEU A 33 8.818 11.678 -6.930 1.00 0.00 C ATOM 545 CD1 LEU A 33 10.212 12.142 -6.536 1.00 0.00 C ATOM 546 CD2 LEU A 33 8.080 11.143 -5.716 1.00 0.00 C ATOM 0 H LEU A 33 7.228 13.733 -9.711 1.00 0.00 H new ATOM 0 HA LEU A 33 6.599 11.397 -8.307 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.644 13.229 -8.398 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.923 13.623 -6.850 1.00 0.00 H new ATOM 0 HG LEU A 33 8.906 10.871 -7.657 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.753 11.317 -6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.749 12.475 -7.424 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.134 12.967 -5.828 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.653 10.329 -5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.956 11.942 -4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.101 10.773 -6.019 1.00 0.00 H new ATOM 558 N ALA A 34 5.297 14.155 -7.029 1.00 0.00 N ATOM 559 CA ALA A 34 4.288 14.647 -6.096 1.00 0.00 C ATOM 560 C ALA A 34 2.915 14.099 -6.457 1.00 0.00 C ATOM 561 O ALA A 34 2.176 13.637 -5.593 1.00 0.00 O ATOM 562 CB ALA A 34 4.267 16.169 -6.085 1.00 0.00 C ATOM 0 H ALA A 34 5.750 14.882 -7.582 1.00 0.00 H new ATOM 0 HA ALA A 34 4.547 14.299 -5.096 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.509 16.517 -5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.244 16.544 -5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.034 16.537 -7.084 1.00 0.00 H new ATOM 568 N ARG A 35 2.598 14.143 -7.740 1.00 0.00 N ATOM 569 CA ARG A 35 1.357 13.613 -8.265 1.00 0.00 C ATOM 570 C ARG A 35 1.224 12.122 -7.958 1.00 0.00 C ATOM 571 O ARG A 35 0.183 11.668 -7.485 1.00 0.00 O ATOM 572 CB ARG A 35 1.361 13.844 -9.769 1.00 0.00 C ATOM 573 CG ARG A 35 0.071 13.494 -10.461 1.00 0.00 C ATOM 574 CD ARG A 35 0.216 13.651 -11.964 1.00 0.00 C ATOM 575 NE ARG A 35 -1.002 13.309 -12.691 1.00 0.00 N ATOM 576 CZ ARG A 35 -1.026 13.028 -13.991 1.00 0.00 C ATOM 577 NH1 ARG A 35 0.108 12.950 -14.678 1.00 0.00 N ATOM 578 NH2 ARG A 35 -2.180 12.782 -14.594 1.00 0.00 N ATOM 0 H ARG A 35 3.203 14.553 -8.452 1.00 0.00 H new ATOM 0 HA ARG A 35 0.509 14.115 -7.799 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.588 14.893 -9.962 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.166 13.257 -10.211 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.211 12.469 -10.222 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.730 14.138 -10.098 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.492 14.681 -12.192 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.032 13.018 -12.313 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.882 13.284 -12.175 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.000 13.106 -14.209 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.087 12.734 -15.675 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.049 12.808 -14.061 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.199 12.567 -15.591 1.00 0.00 H new ATOM 592 N LEU A 36 2.283 11.369 -8.230 1.00 0.00 N ATOM 593 CA LEU A 36 2.292 9.939 -7.954 1.00 0.00 C ATOM 594 C LEU A 36 2.153 9.682 -6.460 1.00 0.00 C ATOM 595 O LEU A 36 1.379 8.824 -6.040 1.00 0.00 O ATOM 596 CB LEU A 36 3.575 9.299 -8.486 1.00 0.00 C ATOM 597 CG LEU A 36 3.728 9.315 -10.010 1.00 0.00 C ATOM 598 CD1 LEU A 36 5.030 8.649 -10.421 1.00 0.00 C ATOM 599 CD2 LEU A 36 2.545 8.625 -10.676 1.00 0.00 C ATOM 0 H LEU A 36 3.146 11.725 -8.641 1.00 0.00 H new ATOM 0 HA LEU A 36 1.441 9.486 -8.463 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.429 9.814 -8.046 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.615 8.265 -8.144 1.00 0.00 H new ATOM 0 HG LEU A 36 3.751 10.353 -10.340 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.122 8.669 -11.507 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.869 9.184 -9.976 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.035 7.615 -10.076 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.673 8.647 -11.758 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.490 7.590 -10.338 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.624 9.143 -10.409 1.00 0.00 H new ATOM 611 N ASN A 37 2.897 10.441 -5.664 1.00 0.00 N ATOM 612 CA ASN A 37 2.815 10.356 -4.208 1.00 0.00 C ATOM 613 C ASN A 37 1.380 10.597 -3.748 1.00 0.00 C ATOM 614 O ASN A 37 0.844 9.851 -2.926 1.00 0.00 O ATOM 615 CB ASN A 37 3.743 11.396 -3.578 1.00 0.00 C ATOM 616 CG ASN A 37 3.788 11.320 -2.065 1.00 0.00 C ATOM 617 OD1 ASN A 37 2.955 11.903 -1.376 1.00 0.00 O ATOM 618 ND2 ASN A 37 4.785 10.626 -1.534 1.00 0.00 N ATOM 0 H ASN A 37 3.570 11.128 -6.005 1.00 0.00 H new ATOM 0 HA ASN A 37 3.124 9.359 -3.893 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.750 11.260 -3.972 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.416 12.392 -3.875 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.879 10.563 -0.520 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.458 10.155 -2.139 1.00 0.00 H new ATOM 625 N GLN A 38 0.774 11.642 -4.302 1.00 0.00 N ATOM 626 CA GLN A 38 -0.605 11.995 -4.013 1.00 0.00 C ATOM 627 C GLN A 38 -1.561 10.862 -4.385 1.00 0.00 C ATOM 628 O GLN A 38 -2.461 10.520 -3.616 1.00 0.00 O ATOM 629 CB GLN A 38 -0.976 13.275 -4.767 1.00 0.00 C ATOM 630 CG GLN A 38 -0.461 14.555 -4.115 1.00 0.00 C ATOM 631 CD GLN A 38 -0.998 14.778 -2.708 1.00 0.00 C ATOM 632 OE1 GLN A 38 -1.263 13.833 -1.960 1.00 0.00 O ATOM 633 NE2 GLN A 38 -1.180 16.035 -2.342 1.00 0.00 N ATOM 0 H GLN A 38 1.230 12.268 -4.966 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.699 12.165 -2.940 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.582 13.213 -5.781 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.061 13.333 -4.849 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.628 14.522 -4.079 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.734 15.406 -4.739 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.950 16.792 -2.986 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.550 16.248 -1.416 1.00 0.00 H new ATOM 642 N GLU A 39 -1.355 10.281 -5.560 1.00 0.00 N ATOM 643 CA GLU A 39 -2.195 9.185 -6.035 1.00 0.00 C ATOM 644 C GLU A 39 -2.054 7.950 -5.148 1.00 0.00 C ATOM 645 O GLU A 39 -3.025 7.222 -4.937 1.00 0.00 O ATOM 646 CB GLU A 39 -1.858 8.839 -7.484 1.00 0.00 C ATOM 647 CG GLU A 39 -2.339 9.880 -8.482 1.00 0.00 C ATOM 648 CD GLU A 39 -3.851 9.933 -8.587 1.00 0.00 C ATOM 649 OE1 GLU A 39 -4.503 10.495 -7.684 1.00 0.00 O ATOM 650 OE2 GLU A 39 -4.394 9.423 -9.590 1.00 0.00 O ATOM 0 H GLU A 39 -0.612 10.550 -6.204 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.232 9.517 -5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.778 8.726 -7.581 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.303 7.876 -7.732 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.964 10.860 -8.188 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.918 9.659 -9.463 1.00 0.00 H new ATOM 657 N ILE A 40 -0.851 7.719 -4.632 1.00 0.00 N ATOM 658 CA ILE A 40 -0.614 6.599 -3.728 1.00 0.00 C ATOM 659 C ILE A 40 -1.439 6.755 -2.460 1.00 0.00 C ATOM 660 O ILE A 40 -2.139 5.834 -2.053 1.00 0.00 O ATOM 661 CB ILE A 40 0.879 6.464 -3.356 1.00 0.00 C ATOM 662 CG1 ILE A 40 1.703 6.103 -4.593 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.071 5.421 -2.264 1.00 0.00 C ATOM 664 CD1 ILE A 40 3.185 5.954 -4.317 1.00 0.00 C ATOM 0 H ILE A 40 -0.028 8.290 -4.823 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.917 5.694 -4.254 1.00 0.00 H new ATOM 0 HB ILE A 40 1.226 7.424 -2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.325 5.170 -5.011 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.560 6.873 -5.351 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.130 5.343 -2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.513 5.717 -1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.708 4.455 -2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.703 5.698 -5.241 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.579 6.893 -3.928 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.341 5.164 -3.583 1.00 0.00 H new ATOM 676 N VAL A 41 -1.368 7.936 -1.852 1.00 0.00 N ATOM 677 CA VAL A 41 -2.129 8.223 -0.639 1.00 0.00 C ATOM 678 C VAL A 41 -3.617 7.953 -0.859 1.00 0.00 C ATOM 679 O VAL A 41 -4.279 7.333 -0.026 1.00 0.00 O ATOM 680 CB VAL A 41 -1.928 9.687 -0.187 1.00 0.00 C ATOM 681 CG1 VAL A 41 -2.771 9.999 1.041 1.00 0.00 C ATOM 682 CG2 VAL A 41 -0.456 9.965 0.086 1.00 0.00 C ATOM 0 H VAL A 41 -0.791 8.711 -2.180 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.758 7.563 0.145 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.258 10.339 -0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.611 11.035 1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.825 9.847 0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.482 9.338 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.334 11.001 0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.100 9.300 0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.121 9.793 -0.823 1.00 0.00 H new ATOM 692 N LYS A 42 -4.124 8.411 -1.995 1.00 0.00 N ATOM 693 CA LYS A 42 -5.523 8.214 -2.354 1.00 0.00 C ATOM 694 C LYS A 42 -5.851 6.731 -2.521 1.00 0.00 C ATOM 695 O LYS A 42 -6.904 6.268 -2.082 1.00 0.00 O ATOM 696 CB LYS A 42 -5.834 8.992 -3.635 1.00 0.00 C ATOM 697 CG LYS A 42 -5.724 10.499 -3.442 1.00 0.00 C ATOM 698 CD LYS A 42 -5.595 11.266 -4.755 1.00 0.00 C ATOM 699 CE LYS A 42 -6.864 11.228 -5.592 1.00 0.00 C ATOM 700 NZ LYS A 42 -6.960 10.000 -6.423 1.00 0.00 N ATOM 0 H LYS A 42 -3.583 8.926 -2.690 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.149 8.592 -1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.148 8.679 -4.422 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.841 8.744 -3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.604 10.855 -2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.859 10.716 -2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.339 12.303 -4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.772 10.848 -5.334 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.731 11.287 -4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.895 12.104 -6.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.604 10.171 -7.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.017 9.751 -6.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.326 9.217 -5.845 1.00 0.00 H new ATOM 714 N ALA A 43 -4.936 5.989 -3.134 1.00 0.00 N ATOM 715 CA ALA A 43 -5.134 4.561 -3.357 1.00 0.00 C ATOM 716 C ALA A 43 -5.079 3.785 -2.044 1.00 0.00 C ATOM 717 O ALA A 43 -5.935 2.941 -1.778 1.00 0.00 O ATOM 718 CB ALA A 43 -4.093 4.034 -4.332 1.00 0.00 C ATOM 0 H ALA A 43 -4.050 6.352 -3.485 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.125 4.418 -3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.250 2.967 -4.491 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.185 4.560 -5.282 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.096 4.197 -3.923 1.00 0.00 H new ATOM 724 N GLU A 44 -4.073 4.090 -1.228 1.00 0.00 N ATOM 725 CA GLU A 44 -3.892 3.427 0.059 1.00 0.00 C ATOM 726 C GLU A 44 -5.132 3.600 0.937 1.00 0.00 C ATOM 727 O GLU A 44 -5.636 2.633 1.504 1.00 0.00 O ATOM 728 CB GLU A 44 -2.663 3.995 0.778 1.00 0.00 C ATOM 729 CG GLU A 44 -1.343 3.762 0.052 1.00 0.00 C ATOM 730 CD GLU A 44 -0.662 2.466 0.443 1.00 0.00 C ATOM 731 OE1 GLU A 44 -0.902 1.430 -0.173 1.00 0.00 O ATOM 732 OE2 GLU A 44 0.148 2.459 1.390 1.00 0.00 O ATOM 0 H GLU A 44 -3.368 4.796 -1.438 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.741 2.363 -0.124 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.802 5.067 0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.601 3.550 1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.524 3.759 -1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.671 4.594 0.260 1.00 0.00 H new ATOM 739 N LYS A 45 -5.638 4.830 1.023 1.00 0.00 N ATOM 740 CA LYS A 45 -6.809 5.110 1.852 1.00 0.00 C ATOM 741 C LYS A 45 -8.075 4.501 1.272 1.00 0.00 C ATOM 742 O LYS A 45 -8.970 4.109 2.021 1.00 0.00 O ATOM 743 CB LYS A 45 -6.998 6.611 2.079 1.00 0.00 C ATOM 744 CG LYS A 45 -6.048 7.171 3.120 1.00 0.00 C ATOM 745 CD LYS A 45 -6.424 8.576 3.546 1.00 0.00 C ATOM 746 CE LYS A 45 -5.587 9.032 4.734 1.00 0.00 C ATOM 747 NZ LYS A 45 -5.814 8.186 5.939 1.00 0.00 N ATOM 0 H LYS A 45 -5.260 5.641 0.534 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.621 4.641 2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.849 7.138 1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.025 6.800 2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.043 6.518 3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.034 7.174 2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.281 9.263 2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.481 8.609 3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.531 9.003 4.465 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.827 10.069 4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.043 8.793 6.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.604 7.533 5.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.954 7.640 6.147 1.00 0.00 H new ATOM 761 N GLN A 46 -8.163 4.419 -0.048 1.00 0.00 N ATOM 762 CA GLN A 46 -9.305 3.764 -0.675 1.00 0.00 C ATOM 763 C GLN A 46 -9.299 2.287 -0.305 1.00 0.00 C ATOM 764 O GLN A 46 -10.346 1.691 -0.048 1.00 0.00 O ATOM 765 CB GLN A 46 -9.271 3.940 -2.194 1.00 0.00 C ATOM 766 CG GLN A 46 -10.534 3.458 -2.899 1.00 0.00 C ATOM 767 CD GLN A 46 -11.802 4.107 -2.364 1.00 0.00 C ATOM 768 OE1 GLN A 46 -11.787 5.238 -1.876 1.00 0.00 O ATOM 769 NE2 GLN A 46 -12.915 3.395 -2.455 1.00 0.00 N ATOM 0 H GLN A 46 -7.470 4.791 -0.698 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.224 4.225 -0.312 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.118 4.994 -2.425 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.414 3.398 -2.594 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.449 3.666 -3.966 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.613 2.376 -2.790 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.891 2.461 -2.865 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.796 3.780 -2.115 1.00 0.00 H new ATOM 778 N GLY A 47 -8.101 1.717 -0.260 1.00 0.00 N ATOM 779 CA GLY A 47 -7.943 0.355 0.202 1.00 0.00 C ATOM 780 C GLY A 47 -8.307 0.221 1.668 1.00 0.00 C ATOM 781 O GLY A 47 -9.061 -0.676 2.044 1.00 0.00 O ATOM 0 H GLY A 47 -7.234 2.178 -0.537 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.572 -0.307 -0.392 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.912 0.036 0.051 1.00 0.00 H new ATOM 785 N VAL A 48 -7.796 1.130 2.490 1.00 0.00 N ATOM 786 CA VAL A 48 -8.128 1.157 3.912 1.00 0.00 C ATOM 787 C VAL A 48 -9.641 1.204 4.103 1.00 0.00 C ATOM 788 O VAL A 48 -10.195 0.505 4.951 1.00 0.00 O ATOM 789 CB VAL A 48 -7.484 2.374 4.620 1.00 0.00 C ATOM 790 CG1 VAL A 48 -7.966 2.497 6.058 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.969 2.270 4.583 1.00 0.00 C ATOM 0 H VAL A 48 -7.148 1.861 2.196 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.730 0.246 4.359 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.791 3.271 4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.495 3.361 6.527 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.049 2.623 6.069 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.700 1.595 6.609 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.533 3.134 5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.654 1.358 5.090 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.631 2.244 3.547 1.00 0.00 H new ATOM 801 N LYS A 49 -10.296 2.010 3.283 1.00 0.00 N ATOM 802 CA LYS A 49 -11.736 2.188 3.350 1.00 0.00 C ATOM 803 C LYS A 49 -12.471 0.861 3.146 1.00 0.00 C ATOM 804 O LYS A 49 -13.315 0.477 3.958 1.00 0.00 O ATOM 805 CB LYS A 49 -12.153 3.193 2.274 1.00 0.00 C ATOM 806 CG LYS A 49 -13.623 3.579 2.293 1.00 0.00 C ATOM 807 CD LYS A 49 -13.941 4.552 1.166 1.00 0.00 C ATOM 808 CE LYS A 49 -13.099 5.816 1.266 1.00 0.00 C ATOM 809 NZ LYS A 49 -13.202 6.656 0.044 1.00 0.00 N ATOM 0 H LYS A 49 -9.843 2.559 2.552 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.003 2.561 4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.554 4.096 2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.915 2.775 1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.240 2.686 2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.872 4.033 3.252 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.761 4.069 0.205 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.998 4.814 1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.418 6.396 2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.056 5.544 1.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.600 7.497 0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.889 6.107 -0.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.190 6.952 -0.091 1.00 0.00 H new ATOM 823 N VAL A 50 -12.132 0.151 2.075 1.00 0.00 N ATOM 824 CA VAL A 50 -12.792 -1.108 1.764 1.00 0.00 C ATOM 825 C VAL A 50 -12.389 -2.227 2.727 1.00 0.00 C ATOM 826 O VAL A 50 -13.195 -3.120 3.015 1.00 0.00 O ATOM 827 CB VAL A 50 -12.553 -1.554 0.302 1.00 0.00 C ATOM 828 CG1 VAL A 50 -13.356 -0.693 -0.659 1.00 0.00 C ATOM 829 CG2 VAL A 50 -11.078 -1.513 -0.063 1.00 0.00 C ATOM 0 H VAL A 50 -11.407 0.426 1.412 1.00 0.00 H new ATOM 0 HA VAL A 50 -13.858 -0.919 1.889 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.890 -2.587 0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.174 -1.023 -1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.418 -0.787 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -13.053 0.349 -0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.950 -1.833 -1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.703 -0.496 0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.522 -2.181 0.595 1.00 0.00 H new ATOM 839 N TYR A 51 -11.153 -2.186 3.219 1.00 0.00 N ATOM 840 CA TYR A 51 -10.685 -3.173 4.194 1.00 0.00 C ATOM 841 C TYR A 51 -11.369 -2.980 5.541 1.00 0.00 C ATOM 842 O TYR A 51 -11.925 -3.922 6.098 1.00 0.00 O ATOM 843 CB TYR A 51 -9.164 -3.104 4.376 1.00 0.00 C ATOM 844 CG TYR A 51 -8.378 -3.835 3.308 1.00 0.00 C ATOM 845 CD1 TYR A 51 -8.410 -5.222 3.218 1.00 0.00 C ATOM 846 CD2 TYR A 51 -7.599 -3.139 2.395 1.00 0.00 C ATOM 847 CE1 TYR A 51 -7.686 -5.891 2.250 1.00 0.00 C ATOM 848 CE2 TYR A 51 -6.875 -3.800 1.424 1.00 0.00 C ATOM 849 CZ TYR A 51 -6.924 -5.174 1.353 1.00 0.00 C ATOM 850 OH TYR A 51 -6.205 -5.831 0.384 1.00 0.00 O ATOM 0 H TYR A 51 -10.459 -1.484 2.961 1.00 0.00 H new ATOM 0 HA TYR A 51 -10.944 -4.156 3.802 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.857 -2.058 4.385 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.906 -3.520 5.350 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -9.011 -5.786 3.916 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.559 -2.061 2.445 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.717 -6.969 2.197 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.272 -3.242 0.723 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.246 -5.324 -0.454 1.00 0.00 H new ATOM 860 N LYS A 52 -11.339 -1.748 6.043 1.00 0.00 N ATOM 861 CA LYS A 52 -11.946 -1.409 7.327 1.00 0.00 C ATOM 862 C LYS A 52 -13.433 -1.763 7.312 1.00 0.00 C ATOM 863 O LYS A 52 -13.985 -2.231 8.310 1.00 0.00 O ATOM 864 CB LYS A 52 -11.727 0.087 7.607 1.00 0.00 C ATOM 865 CG LYS A 52 -12.015 0.531 9.036 1.00 0.00 C ATOM 866 CD LYS A 52 -13.491 0.806 9.267 1.00 0.00 C ATOM 867 CE LYS A 52 -13.728 1.481 10.609 1.00 0.00 C ATOM 868 NZ LYS A 52 -15.169 1.770 10.831 1.00 0.00 N ATOM 0 H LYS A 52 -10.895 -0.959 5.573 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.478 -1.984 8.126 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.693 0.337 7.368 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.359 0.663 6.931 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.679 -0.240 9.729 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.441 1.431 9.257 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.874 1.440 8.467 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.048 -0.130 9.226 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.358 0.840 11.409 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.159 2.410 10.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -15.284 2.305 11.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.537 2.331 10.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -15.696 0.876 10.897 1.00 0.00 H new ATOM 882 N GLU A 53 -14.057 -1.560 6.153 1.00 0.00 N ATOM 883 CA GLU A 53 -15.455 -1.916 5.938 1.00 0.00 C ATOM 884 C GLU A 53 -15.679 -3.404 6.223 1.00 0.00 C ATOM 885 O GLU A 53 -16.601 -3.779 6.944 1.00 0.00 O ATOM 886 CB GLU A 53 -15.839 -1.604 4.486 1.00 0.00 C ATOM 887 CG GLU A 53 -17.312 -1.803 4.166 1.00 0.00 C ATOM 888 CD GLU A 53 -18.199 -0.771 4.832 1.00 0.00 C ATOM 889 OE1 GLU A 53 -18.136 0.410 4.438 1.00 0.00 O ATOM 890 OE2 GLU A 53 -18.973 -1.139 5.734 1.00 0.00 O ATOM 0 H GLU A 53 -13.606 -1.144 5.338 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.078 -1.335 6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.569 -0.571 4.266 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.248 -2.236 3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.455 -1.756 3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -17.618 -2.799 4.485 1.00 0.00 H new ATOM 897 N ALA A 54 -14.828 -4.247 5.644 1.00 0.00 N ATOM 898 CA ALA A 54 -14.947 -5.692 5.804 1.00 0.00 C ATOM 899 C ALA A 54 -14.508 -6.149 7.194 1.00 0.00 C ATOM 900 O ALA A 54 -15.088 -7.072 7.758 1.00 0.00 O ATOM 901 CB ALA A 54 -14.133 -6.406 4.738 1.00 0.00 C ATOM 0 H ALA A 54 -14.047 -3.952 5.058 1.00 0.00 H new ATOM 0 HA ALA A 54 -16.000 -5.950 5.689 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.230 -7.484 4.868 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.500 -6.125 3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -13.085 -6.122 4.830 1.00 0.00 H new ATOM 907 N ALA A 55 -13.491 -5.484 7.736 1.00 0.00 N ATOM 908 CA ALA A 55 -12.861 -5.896 8.992 1.00 0.00 C ATOM 909 C ALA A 55 -13.860 -6.002 10.140 1.00 0.00 C ATOM 910 O ALA A 55 -13.863 -6.982 10.884 1.00 0.00 O ATOM 911 CB ALA A 55 -11.749 -4.925 9.357 1.00 0.00 C ATOM 0 H ALA A 55 -13.080 -4.648 7.321 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.447 -6.892 8.834 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.285 -5.238 10.292 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.000 -4.916 8.566 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.164 -3.924 9.475 1.00 0.00 H new ATOM 917 N GLU A 56 -14.712 -5.000 10.278 1.00 0.00 N ATOM 918 CA GLU A 56 -15.647 -4.956 11.394 1.00 0.00 C ATOM 919 C GLU A 56 -16.874 -5.824 11.133 1.00 0.00 C ATOM 920 O GLU A 56 -17.733 -5.975 12.000 1.00 0.00 O ATOM 921 CB GLU A 56 -16.067 -3.519 11.681 1.00 0.00 C ATOM 922 CG GLU A 56 -14.896 -2.604 11.982 1.00 0.00 C ATOM 923 CD GLU A 56 -15.332 -1.268 12.534 1.00 0.00 C ATOM 924 OE1 GLU A 56 -16.030 -0.522 11.819 1.00 0.00 O ATOM 925 OE2 GLU A 56 -14.982 -0.959 13.693 1.00 0.00 O ATOM 0 H GLU A 56 -14.777 -4.210 9.636 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.135 -5.357 12.269 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.614 -3.129 10.823 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.754 -3.510 12.527 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.234 -3.091 12.698 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.319 -2.446 11.071 1.00 0.00 H new ATOM 932 N LYS A 57 -16.947 -6.393 9.942 1.00 0.00 N ATOM 933 CA LYS A 57 -18.038 -7.279 9.582 1.00 0.00 C ATOM 934 C LYS A 57 -17.513 -8.675 9.264 1.00 0.00 C ATOM 935 O LYS A 57 -18.198 -9.486 8.640 1.00 0.00 O ATOM 936 CB LYS A 57 -18.814 -6.691 8.400 1.00 0.00 C ATOM 937 CG LYS A 57 -19.946 -5.766 8.832 1.00 0.00 C ATOM 938 CD LYS A 57 -20.633 -5.101 7.648 1.00 0.00 C ATOM 939 CE LYS A 57 -19.748 -4.044 7.008 1.00 0.00 C ATOM 940 NZ LYS A 57 -20.466 -3.274 5.958 1.00 0.00 N ATOM 0 H LYS A 57 -16.257 -6.255 9.203 1.00 0.00 H new ATOM 0 HA LYS A 57 -18.719 -7.371 10.428 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -18.126 -6.140 7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -19.225 -7.504 7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -20.680 -6.336 9.402 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -19.551 -4.999 9.498 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -20.893 -5.856 6.906 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -21.566 -4.644 7.978 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -19.388 -3.360 7.776 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -18.871 -4.522 6.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -20.213 -2.268 6.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -20.196 -3.632 5.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -21.492 -3.383 6.088 1.00 0.00 H new ATOM 954 N ALA A 58 -16.291 -8.950 9.709 1.00 0.00 N ATOM 955 CA ALA A 58 -15.688 -10.261 9.531 1.00 0.00 C ATOM 956 C ALA A 58 -16.135 -11.208 10.637 1.00 0.00 C ATOM 957 O ALA A 58 -16.077 -10.871 11.820 1.00 0.00 O ATOM 958 CB ALA A 58 -14.170 -10.148 9.502 1.00 0.00 C ATOM 0 H ALA A 58 -15.699 -8.278 10.197 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.020 -10.669 8.576 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.734 -11.138 9.368 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.869 -9.504 8.676 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.819 -9.721 10.441 1.00 0.00 H new ATOM 964 N ARG A 59 -16.576 -12.393 10.248 1.00 0.00 N ATOM 965 CA ARG A 59 -17.105 -13.364 11.198 1.00 0.00 C ATOM 966 C ARG A 59 -16.055 -14.408 11.571 1.00 0.00 C ATOM 967 O ARG A 59 -16.385 -15.502 12.021 1.00 0.00 O ATOM 968 CB ARG A 59 -18.353 -14.033 10.617 1.00 0.00 C ATOM 969 CG ARG A 59 -19.538 -13.088 10.489 1.00 0.00 C ATOM 970 CD ARG A 59 -20.723 -13.762 9.816 1.00 0.00 C ATOM 971 NE ARG A 59 -21.925 -12.928 9.861 1.00 0.00 N ATOM 972 CZ ARG A 59 -22.675 -12.632 8.801 1.00 0.00 C ATOM 973 NH1 ARG A 59 -22.317 -13.040 7.590 1.00 0.00 N ATOM 974 NH2 ARG A 59 -23.785 -11.920 8.951 1.00 0.00 N ATOM 0 H ARG A 59 -16.579 -12.709 9.278 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.378 -12.836 12.112 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -18.114 -14.440 9.635 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -18.635 -14.874 11.251 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.832 -12.737 11.478 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.243 -12.210 9.914 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -20.473 -13.983 8.778 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -20.924 -14.715 10.305 1.00 0.00 H new ATOM 0 HE ARG A 59 -22.207 -12.548 10.765 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -21.463 -13.584 7.467 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -22.896 -12.810 6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -24.064 -11.599 9.878 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -24.359 -11.693 8.139 1.00 0.00 H new ATOM 988 N ASN A 60 -14.789 -14.058 11.400 1.00 0.00 N ATOM 989 CA ASN A 60 -13.691 -14.940 11.785 1.00 0.00 C ATOM 990 C ASN A 60 -12.554 -14.130 12.390 1.00 0.00 C ATOM 991 O ASN A 60 -11.969 -13.276 11.724 1.00 0.00 O ATOM 992 CB ASN A 60 -13.189 -15.754 10.586 1.00 0.00 C ATOM 993 CG ASN A 60 -11.987 -16.614 10.935 1.00 0.00 C ATOM 994 OD1 ASN A 60 -10.845 -16.181 10.799 1.00 0.00 O ATOM 995 ND2 ASN A 60 -12.235 -17.837 11.378 1.00 0.00 N ATOM 0 H ASN A 60 -14.494 -13.169 10.997 1.00 0.00 H new ATOM 0 HA ASN A 60 -14.064 -15.640 12.533 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -13.994 -16.391 10.219 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.924 -15.076 9.775 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.463 -18.458 11.621 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.198 -18.158 11.477 1.00 0.00 H new ATOM 1002 N PRO A 61 -12.229 -14.392 13.668 1.00 0.00 N ATOM 1003 CA PRO A 61 -11.215 -13.629 14.408 1.00 0.00 C ATOM 1004 C PRO A 61 -9.812 -13.755 13.817 1.00 0.00 C ATOM 1005 O PRO A 61 -9.024 -12.809 13.868 1.00 0.00 O ATOM 1006 CB PRO A 61 -11.255 -14.237 15.816 1.00 0.00 C ATOM 1007 CG PRO A 61 -11.861 -15.585 15.637 1.00 0.00 C ATOM 1008 CD PRO A 61 -12.834 -15.447 14.502 1.00 0.00 C ATOM 0 HA PRO A 61 -11.431 -12.561 14.379 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.255 -14.308 16.244 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.849 -13.624 16.494 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.098 -16.330 15.410 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.365 -15.911 16.547 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.946 -16.381 13.952 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.826 -15.163 14.854 1.00 0.00 H new ATOM 1016 N GLU A 62 -9.511 -14.912 13.243 1.00 0.00 N ATOM 1017 CA GLU A 62 -8.181 -15.180 12.711 1.00 0.00 C ATOM 1018 C GLU A 62 -7.892 -14.276 11.518 1.00 0.00 C ATOM 1019 O GLU A 62 -6.807 -13.708 11.399 1.00 0.00 O ATOM 1020 CB GLU A 62 -8.087 -16.644 12.286 1.00 0.00 C ATOM 1021 CG GLU A 62 -8.558 -17.615 13.356 1.00 0.00 C ATOM 1022 CD GLU A 62 -8.796 -19.004 12.808 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -9.889 -19.251 12.254 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -7.892 -19.856 12.917 1.00 0.00 O ATOM 0 H GLU A 62 -10.171 -15.682 13.134 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.443 -14.977 13.487 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.682 -16.792 11.385 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.053 -16.874 12.027 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.815 -17.664 14.152 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.479 -17.241 13.803 1.00 0.00 H new ATOM 1031 N LYS A 63 -8.878 -14.145 10.643 1.00 0.00 N ATOM 1032 CA LYS A 63 -8.771 -13.261 9.488 1.00 0.00 C ATOM 1033 C LYS A 63 -8.935 -11.807 9.920 1.00 0.00 C ATOM 1034 O LYS A 63 -8.309 -10.905 9.364 1.00 0.00 O ATOM 1035 CB LYS A 63 -9.833 -13.625 8.445 1.00 0.00 C ATOM 1036 CG LYS A 63 -9.714 -15.048 7.924 1.00 0.00 C ATOM 1037 CD LYS A 63 -10.915 -15.428 7.075 1.00 0.00 C ATOM 1038 CE LYS A 63 -10.798 -16.838 6.517 1.00 0.00 C ATOM 1039 NZ LYS A 63 -9.684 -16.970 5.540 1.00 0.00 N ATOM 0 H LYS A 63 -9.766 -14.642 10.710 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.784 -13.385 9.042 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.822 -13.489 8.883 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.758 -12.933 7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.803 -15.146 7.334 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.626 -15.738 8.763 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.822 -15.350 7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.015 -14.720 6.252 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.643 -17.539 7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.736 -17.114 6.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.738 -17.899 5.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.760 -16.220 4.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.774 -16.883 6.037 1.00 0.00 H new ATOM 1053 N ARG A 64 -9.770 -11.601 10.931 1.00 0.00 N ATOM 1054 CA ARG A 64 -10.059 -10.268 11.456 1.00 0.00 C ATOM 1055 C ARG A 64 -8.775 -9.600 11.947 1.00 0.00 C ATOM 1056 O ARG A 64 -8.539 -8.421 11.689 1.00 0.00 O ATOM 1057 CB ARG A 64 -11.073 -10.383 12.602 1.00 0.00 C ATOM 1058 CG ARG A 64 -12.018 -9.197 12.752 1.00 0.00 C ATOM 1059 CD ARG A 64 -11.323 -7.958 13.294 1.00 0.00 C ATOM 1060 NE ARG A 64 -12.282 -6.899 13.598 1.00 0.00 N ATOM 1061 CZ ARG A 64 -11.952 -5.664 13.970 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -10.676 -5.305 14.062 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -12.910 -4.789 14.245 1.00 0.00 N ATOM 0 H ARG A 64 -10.267 -12.351 11.411 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.481 -9.652 10.662 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.667 -11.284 12.451 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.528 -10.514 13.537 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -12.461 -8.966 11.783 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.835 -9.471 13.419 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.766 -8.216 14.195 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.599 -7.597 12.564 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.274 -7.121 13.520 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.940 -5.978 13.847 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.432 -4.357 14.348 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.889 -5.065 14.171 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.668 -3.840 14.531 1.00 0.00 H new ATOM 1077 N GLN A 65 -7.952 -10.370 12.652 1.00 0.00 N ATOM 1078 CA GLN A 65 -6.692 -9.874 13.173 1.00 0.00 C ATOM 1079 C GLN A 65 -5.750 -9.477 12.041 1.00 0.00 C ATOM 1080 O GLN A 65 -5.092 -8.439 12.107 1.00 0.00 O ATOM 1081 CB GLN A 65 -6.044 -10.947 14.044 1.00 0.00 C ATOM 1082 CG GLN A 65 -4.956 -10.409 14.949 1.00 0.00 C ATOM 1083 CD GLN A 65 -3.612 -11.058 14.697 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -3.320 -11.496 13.585 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -2.772 -11.103 15.720 1.00 0.00 N ATOM 0 H GLN A 65 -8.141 -11.347 12.875 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.889 -8.986 13.774 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.812 -11.422 14.654 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.623 -11.721 13.402 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.868 -9.332 14.804 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.242 -10.568 15.989 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.052 -10.729 16.627 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.845 -11.512 15.601 1.00 0.00 H new ATOM 1094 N VAL A 66 -5.702 -10.303 11.000 1.00 0.00 N ATOM 1095 CA VAL A 66 -4.846 -10.038 9.849 1.00 0.00 C ATOM 1096 C VAL A 66 -5.211 -8.707 9.199 1.00 0.00 C ATOM 1097 O VAL A 66 -4.343 -7.869 8.946 1.00 0.00 O ATOM 1098 CB VAL A 66 -4.954 -11.160 8.794 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -4.081 -10.857 7.587 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -4.578 -12.505 9.397 1.00 0.00 C ATOM 0 H VAL A 66 -6.247 -11.163 10.930 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.820 -9.997 10.216 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.991 -11.209 8.462 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.175 -11.662 6.859 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.400 -9.919 7.133 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.041 -10.772 7.902 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.661 -13.281 8.636 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.552 -12.465 9.764 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.251 -12.734 10.224 1.00 0.00 H new ATOM 1110 N ILE A 67 -6.502 -8.516 8.950 1.00 0.00 N ATOM 1111 CA ILE A 67 -6.990 -7.298 8.314 1.00 0.00 C ATOM 1112 C ILE A 67 -6.649 -6.068 9.154 1.00 0.00 C ATOM 1113 O ILE A 67 -6.246 -5.038 8.619 1.00 0.00 O ATOM 1114 CB ILE A 67 -8.517 -7.350 8.077 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -8.891 -8.585 7.253 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -8.991 -6.083 7.373 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -10.381 -8.753 7.043 1.00 0.00 C ATOM 0 H ILE A 67 -7.231 -9.191 9.180 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.491 -7.224 7.348 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.012 -7.416 9.046 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.402 -8.523 6.281 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.501 -9.473 7.750 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.068 -6.136 7.214 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.758 -5.215 7.990 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.486 -5.991 6.411 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.566 -9.649 6.451 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.876 -8.848 8.009 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.775 -7.883 6.517 1.00 0.00 H new ATOM 1129 N ASP A 68 -6.792 -6.186 10.468 1.00 0.00 N ATOM 1130 CA ASP A 68 -6.519 -5.068 11.368 1.00 0.00 C ATOM 1131 C ASP A 68 -5.041 -4.692 11.353 1.00 0.00 C ATOM 1132 O ASP A 68 -4.696 -3.511 11.297 1.00 0.00 O ATOM 1133 CB ASP A 68 -6.958 -5.395 12.796 1.00 0.00 C ATOM 1134 CG ASP A 68 -6.598 -4.290 13.775 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -7.373 -3.315 13.900 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -5.542 -4.395 14.431 1.00 0.00 O ATOM 0 H ASP A 68 -7.094 -7.041 10.935 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.095 -4.215 11.010 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.036 -5.558 12.815 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.490 -6.326 13.114 1.00 0.00 H new ATOM 1141 N LYS A 69 -4.170 -5.696 11.400 1.00 0.00 N ATOM 1142 CA LYS A 69 -2.729 -5.448 11.378 1.00 0.00 C ATOM 1143 C LYS A 69 -2.322 -4.707 10.103 1.00 0.00 C ATOM 1144 O LYS A 69 -1.550 -3.745 10.152 1.00 0.00 O ATOM 1145 CB LYS A 69 -1.940 -6.755 11.496 1.00 0.00 C ATOM 1146 CG LYS A 69 -2.142 -7.483 12.817 1.00 0.00 C ATOM 1147 CD LYS A 69 -1.859 -6.577 14.006 1.00 0.00 C ATOM 1148 CE LYS A 69 -1.967 -7.328 15.323 1.00 0.00 C ATOM 1149 NZ LYS A 69 -1.889 -6.413 16.490 1.00 0.00 N ATOM 0 H LYS A 69 -4.432 -6.680 11.453 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.492 -4.823 12.239 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.230 -7.417 10.680 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.879 -6.539 11.370 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.166 -7.853 12.876 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.486 -8.353 12.858 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.860 -6.152 13.910 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.561 -5.743 14.004 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.909 -7.875 15.353 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.168 -8.066 15.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.967 -6.964 17.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.979 -5.909 16.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.667 -5.724 16.444 1.00 0.00 H new ATOM 1163 N ILE A 70 -2.856 -5.155 8.971 1.00 0.00 N ATOM 1164 CA ILE A 70 -2.592 -4.523 7.684 1.00 0.00 C ATOM 1165 C ILE A 70 -3.236 -3.137 7.610 1.00 0.00 C ATOM 1166 O ILE A 70 -2.654 -2.203 7.062 1.00 0.00 O ATOM 1167 CB ILE A 70 -3.084 -5.416 6.520 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -2.195 -6.663 6.423 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -3.099 -4.651 5.201 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -2.537 -7.573 5.266 1.00 0.00 C ATOM 0 H ILE A 70 -3.480 -5.961 8.920 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.513 -4.400 7.588 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.110 -5.724 6.723 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.155 -6.349 6.330 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.276 -7.227 7.352 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.449 -5.307 4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.767 -3.794 5.285 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.092 -4.305 4.970 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.864 -8.431 5.266 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.566 -7.919 5.367 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.428 -7.027 4.329 1.00 0.00 H new ATOM 1182 N LEU A 71 -4.430 -3.014 8.180 1.00 0.00 N ATOM 1183 CA LEU A 71 -5.160 -1.748 8.206 1.00 0.00 C ATOM 1184 C LEU A 71 -4.305 -0.654 8.848 1.00 0.00 C ATOM 1185 O LEU A 71 -4.141 0.432 8.288 1.00 0.00 O ATOM 1186 CB LEU A 71 -6.474 -1.929 8.985 1.00 0.00 C ATOM 1187 CG LEU A 71 -7.619 -0.972 8.626 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -7.316 0.453 9.065 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -7.898 -1.020 7.133 1.00 0.00 C ATOM 0 H LEU A 71 -4.919 -3.785 8.636 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.390 -1.446 7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.823 -2.951 8.834 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.259 -1.820 10.048 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.509 -1.301 9.163 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.149 1.102 8.794 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.173 0.478 10.145 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.409 0.801 8.570 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.712 -0.336 6.893 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.003 -0.724 6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.179 -2.034 6.848 1.00 0.00 H new ATOM 1201 N GLU A 72 -3.744 -0.959 10.013 1.00 0.00 N ATOM 1202 CA GLU A 72 -2.895 -0.013 10.728 1.00 0.00 C ATOM 1203 C GLU A 72 -1.598 0.230 9.962 1.00 0.00 C ATOM 1204 O GLU A 72 -1.065 1.340 9.957 1.00 0.00 O ATOM 1205 CB GLU A 72 -2.595 -0.526 12.140 1.00 0.00 C ATOM 1206 CG GLU A 72 -3.831 -0.637 13.023 1.00 0.00 C ATOM 1207 CD GLU A 72 -4.459 0.708 13.320 1.00 0.00 C ATOM 1208 OE1 GLU A 72 -4.997 1.332 12.387 1.00 0.00 O ATOM 1209 OE2 GLU A 72 -4.419 1.143 14.490 1.00 0.00 O ATOM 0 H GLU A 72 -3.862 -1.856 10.483 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.428 0.934 10.809 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.120 -1.505 12.069 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.877 0.143 12.616 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.566 -1.276 12.534 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.560 -1.122 13.961 1.00 0.00 H new ATOM 1216 N ASP A 73 -1.098 -0.818 9.315 1.00 0.00 N ATOM 1217 CA ASP A 73 0.122 -0.719 8.517 1.00 0.00 C ATOM 1218 C ASP A 73 -0.084 0.239 7.356 1.00 0.00 C ATOM 1219 O ASP A 73 0.769 1.066 7.054 1.00 0.00 O ATOM 1220 CB ASP A 73 0.505 -2.076 7.933 1.00 0.00 C ATOM 1221 CG ASP A 73 1.996 -2.332 7.963 1.00 0.00 C ATOM 1222 OD1 ASP A 73 2.543 -2.619 9.045 1.00 0.00 O ATOM 1223 OD2 ASP A 73 2.631 -2.261 6.885 1.00 0.00 O ATOM 0 H ASP A 73 -1.518 -1.747 9.327 1.00 0.00 H new ATOM 0 HA ASP A 73 0.912 -0.361 9.177 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.005 -2.862 8.490 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.152 -2.135 6.903 1.00 0.00 H new ATOM 1228 N GLU A 74 -1.232 0.103 6.712 1.00 0.00 N ATOM 1229 CA GLU A 74 -1.551 0.851 5.508 1.00 0.00 C ATOM 1230 C GLU A 74 -1.589 2.354 5.793 1.00 0.00 C ATOM 1231 O GLU A 74 -1.063 3.149 5.014 1.00 0.00 O ATOM 1232 CB GLU A 74 -2.889 0.342 4.953 1.00 0.00 C ATOM 1233 CG GLU A 74 -2.962 0.297 3.434 1.00 0.00 C ATOM 1234 CD GLU A 74 -1.765 -0.394 2.806 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -1.721 -1.653 2.744 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.847 0.318 2.368 1.00 0.00 O ATOM 0 H GLU A 74 -1.972 -0.532 7.012 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.775 0.695 4.759 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.073 -0.659 5.343 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.690 0.982 5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.873 -0.221 3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.032 1.314 3.048 1.00 0.00 H new ATOM 1243 N GLU A 75 -2.171 2.742 6.928 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.163 4.139 7.343 1.00 0.00 C ATOM 1245 C GLU A 75 -0.747 4.599 7.678 1.00 0.00 C ATOM 1246 O GLU A 75 -0.381 5.748 7.431 1.00 0.00 O ATOM 1247 CB GLU A 75 -3.076 4.359 8.550 1.00 0.00 C ATOM 1248 CG GLU A 75 -4.564 4.364 8.220 1.00 0.00 C ATOM 1249 CD GLU A 75 -4.936 5.385 7.155 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -4.164 6.338 6.932 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -5.973 5.198 6.495 1.00 0.00 O ATOM 0 H GLU A 75 -2.650 2.111 7.571 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.538 4.731 6.508 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.882 3.578 9.285 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.817 5.308 9.018 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.858 3.371 7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.131 4.572 9.128 1.00 0.00 H new ATOM 1258 N LYS A 76 0.048 3.694 8.238 1.00 0.00 N ATOM 1259 CA LYS A 76 1.436 3.994 8.578 1.00 0.00 C ATOM 1260 C LYS A 76 2.222 4.372 7.324 1.00 0.00 C ATOM 1261 O LYS A 76 3.106 5.232 7.366 1.00 0.00 O ATOM 1262 CB LYS A 76 2.089 2.785 9.255 1.00 0.00 C ATOM 1263 CG LYS A 76 3.489 3.053 9.786 1.00 0.00 C ATOM 1264 CD LYS A 76 4.185 1.767 10.205 1.00 0.00 C ATOM 1265 CE LYS A 76 3.331 0.954 11.166 1.00 0.00 C ATOM 1266 NZ LYS A 76 4.002 -0.306 11.575 1.00 0.00 N ATOM 0 H LYS A 76 -0.245 2.744 8.467 1.00 0.00 H new ATOM 0 HA LYS A 76 1.447 4.837 9.269 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.456 2.458 10.079 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.134 1.962 8.541 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.080 3.554 9.019 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.432 3.731 10.638 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.408 1.169 9.321 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.138 2.006 10.677 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.111 1.552 12.051 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.377 0.720 10.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.387 -0.830 12.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.189 -0.889 10.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.901 -0.083 12.048 1.00 0.00 H new ATOM 1280 N HIS A 77 1.893 3.722 6.212 1.00 0.00 N ATOM 1281 CA HIS A 77 2.518 4.025 4.927 1.00 0.00 C ATOM 1282 C HIS A 77 2.186 5.453 4.518 1.00 0.00 C ATOM 1283 O HIS A 77 3.056 6.234 4.120 1.00 0.00 O ATOM 1284 CB HIS A 77 1.999 3.093 3.832 1.00 0.00 C ATOM 1285 CG HIS A 77 2.186 1.636 4.090 1.00 0.00 C ATOM 1286 ND1 HIS A 77 1.492 0.665 3.414 1.00 0.00 N ATOM 1287 CD2 HIS A 77 2.990 0.988 4.969 1.00 0.00 C ATOM 1288 CE1 HIS A 77 1.871 -0.520 3.894 1.00 0.00 C ATOM 1289 NE2 HIS A 77 2.784 -0.392 4.842 1.00 0.00 N ATOM 0 H HIS A 77 1.195 2.979 6.174 1.00 0.00 H new ATOM 0 HA HIS A 77 3.594 3.893 5.042 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.936 3.286 3.688 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.498 3.346 2.897 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.678 1.459 5.656 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.481 -1.467 3.551 1.00 0.00 H new ATOM 1296 N ILE A 78 0.901 5.769 4.624 1.00 0.00 N ATOM 1297 CA ILE A 78 0.368 7.072 4.259 1.00 0.00 C ATOM 1298 C ILE A 78 1.008 8.178 5.087 1.00 0.00 C ATOM 1299 O ILE A 78 1.288 9.263 4.579 1.00 0.00 O ATOM 1300 CB ILE A 78 -1.159 7.086 4.446 1.00 0.00 C ATOM 1301 CG1 ILE A 78 -1.781 5.974 3.600 1.00 0.00 C ATOM 1302 CG2 ILE A 78 -1.739 8.443 4.070 1.00 0.00 C ATOM 1303 CD1 ILE A 78 -3.211 5.658 3.966 1.00 0.00 C ATOM 0 H ILE A 78 0.194 5.120 4.969 1.00 0.00 H new ATOM 0 HA ILE A 78 0.603 7.256 3.211 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.393 6.910 5.496 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.740 6.263 2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.180 5.071 3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.820 8.428 4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.301 9.214 4.704 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.512 8.659 3.026 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.583 4.860 3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.258 5.337 5.007 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.826 6.548 3.833 1.00 0.00 H new ATOM 1315 N GLU A 79 1.247 7.887 6.363 1.00 0.00 N ATOM 1316 CA GLU A 79 1.909 8.827 7.259 1.00 0.00 C ATOM 1317 C GLU A 79 3.260 9.240 6.671 1.00 0.00 C ATOM 1318 O GLU A 79 3.640 10.412 6.715 1.00 0.00 O ATOM 1319 CB GLU A 79 2.096 8.176 8.634 1.00 0.00 C ATOM 1320 CG GLU A 79 2.032 9.139 9.812 1.00 0.00 C ATOM 1321 CD GLU A 79 3.135 10.177 9.802 1.00 0.00 C ATOM 1322 OE1 GLU A 79 4.323 9.795 9.893 1.00 0.00 O ATOM 1323 OE2 GLU A 79 2.821 11.384 9.730 1.00 0.00 O ATOM 0 H GLU A 79 0.990 7.002 6.800 1.00 0.00 H new ATOM 0 HA GLU A 79 1.294 9.720 7.373 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.330 7.412 8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.060 7.667 8.651 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.067 9.645 9.806 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.087 8.570 10.740 1.00 0.00 H new ATOM 1330 N TRP A 80 3.969 8.278 6.087 1.00 0.00 N ATOM 1331 CA TRP A 80 5.246 8.557 5.444 1.00 0.00 C ATOM 1332 C TRP A 80 5.047 9.364 4.165 1.00 0.00 C ATOM 1333 O TRP A 80 5.628 10.435 4.013 1.00 0.00 O ATOM 1334 CB TRP A 80 6.007 7.261 5.137 1.00 0.00 C ATOM 1335 CG TRP A 80 7.195 7.463 4.242 1.00 0.00 C ATOM 1336 CD1 TRP A 80 7.483 6.757 3.114 1.00 0.00 C ATOM 1337 CD2 TRP A 80 8.240 8.437 4.384 1.00 0.00 C ATOM 1338 NE1 TRP A 80 8.637 7.227 2.542 1.00 0.00 N ATOM 1339 CE2 TRP A 80 9.121 8.258 3.301 1.00 0.00 C ATOM 1340 CE3 TRP A 80 8.516 9.442 5.317 1.00 0.00 C ATOM 1341 CZ2 TRP A 80 10.254 9.048 3.125 1.00 0.00 C ATOM 1342 CZ3 TRP A 80 9.641 10.224 5.141 1.00 0.00 C ATOM 1343 CH2 TRP A 80 10.499 10.023 4.052 1.00 0.00 C ATOM 0 H TRP A 80 3.680 7.301 6.047 1.00 0.00 H new ATOM 0 HA TRP A 80 5.841 9.148 6.140 1.00 0.00 H new ATOM 0 HB2 TRP A 80 6.339 6.813 6.074 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.326 6.551 4.669 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.888 5.944 2.726 1.00 0.00 H new ATOM 0 HE1 TRP A 80 9.065 6.867 1.689 1.00 0.00 H new ATOM 0 HE3 TRP A 80 7.861 9.604 6.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 10.916 8.896 2.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 9.863 11.003 5.855 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.371 10.650 3.942 1.00 0.00 H new ATOM 1354 N HIS A 81 4.218 8.858 3.256 1.00 0.00 N ATOM 1355 CA HIS A 81 3.997 9.516 1.967 1.00 0.00 C ATOM 1356 C HIS A 81 3.525 10.957 2.140 1.00 0.00 C ATOM 1357 O HIS A 81 3.983 11.856 1.433 1.00 0.00 O ATOM 1358 CB HIS A 81 2.989 8.727 1.123 1.00 0.00 C ATOM 1359 CG HIS A 81 3.598 7.571 0.394 1.00 0.00 C ATOM 1360 ND1 HIS A 81 4.186 7.683 -0.845 1.00 0.00 N ATOM 1361 CD2 HIS A 81 3.721 6.267 0.749 1.00 0.00 C ATOM 1362 CE1 HIS A 81 4.645 6.477 -1.193 1.00 0.00 C ATOM 1363 NE2 HIS A 81 4.391 5.584 -0.261 1.00 0.00 N ATOM 0 H HIS A 81 3.688 7.996 3.386 1.00 0.00 H new ATOM 0 HA HIS A 81 4.954 9.539 1.447 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.193 8.359 1.771 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.527 9.399 0.400 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.357 5.830 1.667 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.158 6.263 -2.119 1.00 0.00 H new ATOM 0 HE2 HIS A 81 4.635 4.594 -0.276 1.00 0.00 H new ATOM 1371 N LYS A 82 2.634 11.172 3.096 1.00 0.00 N ATOM 1372 CA LYS A 82 2.105 12.501 3.375 1.00 0.00 C ATOM 1373 C LYS A 82 3.212 13.441 3.862 1.00 0.00 C ATOM 1374 O LYS A 82 3.249 14.616 3.496 1.00 0.00 O ATOM 1375 CB LYS A 82 0.982 12.398 4.409 1.00 0.00 C ATOM 1376 CG LYS A 82 0.464 13.733 4.910 1.00 0.00 C ATOM 1377 CD LYS A 82 -0.723 13.543 5.836 1.00 0.00 C ATOM 1378 CE LYS A 82 -1.036 14.807 6.617 1.00 0.00 C ATOM 1379 NZ LYS A 82 0.027 15.122 7.607 1.00 0.00 N ATOM 0 H LYS A 82 2.259 10.438 3.697 1.00 0.00 H new ATOM 0 HA LYS A 82 1.701 12.921 2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.153 11.842 3.972 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.341 11.819 5.260 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.259 14.261 5.436 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.173 14.355 4.064 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.596 13.250 5.253 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.516 12.729 6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.148 15.643 5.926 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.989 14.689 7.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.344 15.788 8.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.331 14.247 8.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.839 15.552 7.120 1.00 0.00 H new ATOM 1393 N ALA A 83 4.101 12.923 4.698 1.00 0.00 N ATOM 1394 CA ALA A 83 5.226 13.705 5.207 1.00 0.00 C ATOM 1395 C ALA A 83 6.298 13.931 4.142 1.00 0.00 C ATOM 1396 O ALA A 83 6.957 14.970 4.118 1.00 0.00 O ATOM 1397 CB ALA A 83 5.836 13.018 6.419 1.00 0.00 C ATOM 0 H ALA A 83 4.067 11.963 5.040 1.00 0.00 H new ATOM 0 HA ALA A 83 4.838 14.682 5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.673 13.610 6.790 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.083 12.925 7.202 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.190 12.027 6.136 1.00 0.00 H new ATOM 1403 N ALA A 84 6.465 12.953 3.265 1.00 0.00 N ATOM 1404 CA ALA A 84 7.585 12.928 2.329 1.00 0.00 C ATOM 1405 C ALA A 84 7.422 13.895 1.160 1.00 0.00 C ATOM 1406 O ALA A 84 8.408 14.244 0.505 1.00 0.00 O ATOM 1407 CB ALA A 84 7.787 11.519 1.803 1.00 0.00 C ATOM 0 H ALA A 84 5.833 12.157 3.180 1.00 0.00 H new ATOM 0 HA ALA A 84 8.462 13.257 2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.624 11.508 1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.999 10.847 2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.883 11.189 1.291 1.00 0.00 H new ATOM 1413 N SER A 85 6.198 14.321 0.885 1.00 0.00 N ATOM 1414 CA SER A 85 5.943 15.178 -0.264 1.00 0.00 C ATOM 1415 C SER A 85 6.320 16.634 0.015 1.00 0.00 C ATOM 1416 O SER A 85 5.481 17.452 0.403 1.00 0.00 O ATOM 1417 CB SER A 85 4.481 15.056 -0.703 1.00 0.00 C ATOM 1418 OG SER A 85 3.630 14.827 0.408 1.00 0.00 O ATOM 0 H SER A 85 5.372 14.090 1.437 1.00 0.00 H new ATOM 0 HA SER A 85 6.579 14.840 -1.082 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.175 15.967 -1.217 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.380 14.238 -1.417 1.00 0.00 H new ATOM 0 HG SER A 85 2.702 14.754 0.100 1.00 0.00 H new ATOM 1424 N LYS A 86 7.601 16.940 -0.169 1.00 0.00 N ATOM 1425 CA LYS A 86 8.105 18.298 -0.026 1.00 0.00 C ATOM 1426 C LYS A 86 9.212 18.554 -1.046 1.00 0.00 C ATOM 1427 O LYS A 86 9.886 17.619 -1.487 1.00 0.00 O ATOM 1428 CB LYS A 86 8.636 18.547 1.394 1.00 0.00 C ATOM 1429 CG LYS A 86 9.821 17.674 1.777 1.00 0.00 C ATOM 1430 CD LYS A 86 10.393 18.079 3.126 1.00 0.00 C ATOM 1431 CE LYS A 86 11.562 17.193 3.528 1.00 0.00 C ATOM 1432 NZ LYS A 86 12.681 17.259 2.550 1.00 0.00 N ATOM 0 H LYS A 86 8.314 16.256 -0.420 1.00 0.00 H new ATOM 0 HA LYS A 86 7.279 18.986 -0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.926 19.594 1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 86 7.829 18.378 2.107 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.510 16.630 1.810 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.595 17.752 1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.720 19.118 3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 86 9.613 18.020 3.885 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.923 17.495 4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.220 16.162 3.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.936 16.297 2.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.386 17.814 1.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.504 17.713 2.995 1.00 0.00 H new ATOM 1446 N GLN A 87 9.391 19.814 -1.416 1.00 0.00 N ATOM 1447 CA GLN A 87 10.417 20.201 -2.380 1.00 0.00 C ATOM 1448 C GLN A 87 11.810 19.957 -1.818 1.00 0.00 C ATOM 1449 O GLN A 87 12.172 20.495 -0.773 1.00 0.00 O ATOM 1450 CB GLN A 87 10.266 21.679 -2.758 1.00 0.00 C ATOM 1451 CG GLN A 87 9.459 21.922 -4.027 1.00 0.00 C ATOM 1452 CD GLN A 87 8.017 21.457 -3.931 1.00 0.00 C ATOM 1453 OE1 GLN A 87 7.409 21.476 -2.861 1.00 0.00 O ATOM 1454 NE2 GLN A 87 7.464 21.037 -5.056 1.00 0.00 N ATOM 0 H GLN A 87 8.836 20.593 -1.061 1.00 0.00 H new ATOM 0 HA GLN A 87 10.287 19.588 -3.272 1.00 0.00 H new ATOM 0 HB2 GLN A 87 9.789 22.206 -1.932 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.258 22.113 -2.883 1.00 0.00 H new ATOM 0 HG2 GLN A 87 9.473 22.987 -4.258 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.942 21.409 -4.858 1.00 0.00 H new ATOM 0 HE21 GLN A 87 8.004 21.038 -5.921 1.00 0.00 H new ATOM 0 HE22 GLN A 87 6.497 20.712 -5.059 1.00 0.00 H new ATOM 1463 N GLY A 88 12.589 19.151 -2.521 1.00 0.00 N ATOM 1464 CA GLY A 88 13.941 18.857 -2.091 1.00 0.00 C ATOM 1465 C GLY A 88 14.101 17.431 -1.606 1.00 0.00 C ATOM 1466 O GLY A 88 15.141 17.074 -1.054 1.00 0.00 O ATOM 0 H GLY A 88 12.308 18.692 -3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 88 14.628 19.035 -2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 88 14.221 19.542 -1.291 1.00 0.00 H new ATOM 1470 N ASN A 89 13.076 16.616 -1.804 1.00 0.00 N ATOM 1471 CA ASN A 89 13.128 15.221 -1.394 1.00 0.00 C ATOM 1472 C ASN A 89 12.946 14.305 -2.596 1.00 0.00 C ATOM 1473 O ASN A 89 11.911 14.340 -3.261 1.00 0.00 O ATOM 1474 CB ASN A 89 12.056 14.926 -0.343 1.00 0.00 C ATOM 1475 CG ASN A 89 12.098 13.486 0.140 1.00 0.00 C ATOM 1476 OD1 ASN A 89 13.154 12.851 0.163 1.00 0.00 O ATOM 1477 ND2 ASN A 89 10.948 12.960 0.529 1.00 0.00 N ATOM 0 H ASN A 89 12.200 16.896 -2.245 1.00 0.00 H new ATOM 0 HA ASN A 89 14.107 15.033 -0.954 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.190 15.595 0.507 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.072 15.137 -0.762 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.915 11.997 0.863 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.095 13.518 0.495 1.00 0.00 H new ATOM 1484 N ALA A 90 13.965 13.506 -2.878 1.00 0.00 N ATOM 1485 CA ALA A 90 13.906 12.537 -3.967 1.00 0.00 C ATOM 1486 C ALA A 90 14.884 11.400 -3.708 1.00 0.00 C ATOM 1487 O ALA A 90 14.513 10.227 -3.699 1.00 0.00 O ATOM 1488 CB ALA A 90 14.213 13.208 -5.302 1.00 0.00 C ATOM 0 H ALA A 90 14.847 13.509 -2.366 1.00 0.00 H new ATOM 0 HA ALA A 90 12.896 12.129 -4.014 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.164 12.468 -6.101 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.482 13.995 -5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 90 15.213 13.641 -5.270 1.00 0.00 H new ATOM 1494 N GLU A 91 16.133 11.771 -3.467 1.00 0.00 N ATOM 1495 CA GLU A 91 17.198 10.811 -3.201 1.00 0.00 C ATOM 1496 C GLU A 91 16.918 9.999 -1.935 1.00 0.00 C ATOM 1497 O GLU A 91 17.043 8.775 -1.936 1.00 0.00 O ATOM 1498 CB GLU A 91 18.559 11.525 -3.104 1.00 0.00 C ATOM 1499 CG GLU A 91 18.491 13.008 -2.731 1.00 0.00 C ATOM 1500 CD GLU A 91 17.862 13.266 -1.375 1.00 0.00 C ATOM 1501 OE1 GLU A 91 16.621 13.400 -1.302 1.00 0.00 O ATOM 1502 OE2 GLU A 91 18.604 13.327 -0.374 1.00 0.00 O ATOM 0 H GLU A 91 16.438 12.744 -3.450 1.00 0.00 H new ATOM 0 HA GLU A 91 17.233 10.113 -4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 91 19.171 11.008 -2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 91 19.070 11.431 -4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 91 19.499 13.422 -2.739 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.922 13.540 -3.493 1.00 0.00 H new ATOM 1509 N GLN A 92 16.528 10.681 -0.867 1.00 0.00 N ATOM 1510 CA GLN A 92 16.207 10.021 0.392 1.00 0.00 C ATOM 1511 C GLN A 92 14.948 9.179 0.234 1.00 0.00 C ATOM 1512 O GLN A 92 14.894 8.021 0.651 1.00 0.00 O ATOM 1513 CB GLN A 92 15.991 11.066 1.493 1.00 0.00 C ATOM 1514 CG GLN A 92 15.775 10.474 2.876 1.00 0.00 C ATOM 1515 CD GLN A 92 17.041 9.886 3.463 1.00 0.00 C ATOM 1516 OE1 GLN A 92 17.348 8.710 3.268 1.00 0.00 O ATOM 1517 NE2 GLN A 92 17.790 10.706 4.180 1.00 0.00 N ATOM 0 H GLN A 92 16.426 11.696 -0.847 1.00 0.00 H new ATOM 0 HA GLN A 92 17.039 9.374 0.670 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.855 11.729 1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 92 15.128 11.679 1.233 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.395 11.248 3.543 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.011 9.699 2.820 1.00 0.00 H new ATOM 0 HE21 GLN A 92 17.499 11.674 4.317 1.00 0.00 H new ATOM 0 HE22 GLN A 92 18.659 10.371 4.596 1.00 0.00 H new ATOM 1526 N PHE A 93 13.949 9.778 -0.396 1.00 0.00 N ATOM 1527 CA PHE A 93 12.653 9.144 -0.592 1.00 0.00 C ATOM 1528 C PHE A 93 12.791 7.813 -1.334 1.00 0.00 C ATOM 1529 O PHE A 93 12.189 6.818 -0.937 1.00 0.00 O ATOM 1530 CB PHE A 93 11.738 10.106 -1.358 1.00 0.00 C ATOM 1531 CG PHE A 93 10.338 9.605 -1.572 1.00 0.00 C ATOM 1532 CD1 PHE A 93 9.510 9.321 -0.497 1.00 0.00 C ATOM 1533 CD2 PHE A 93 9.844 9.438 -2.854 1.00 0.00 C ATOM 1534 CE1 PHE A 93 8.215 8.876 -0.700 1.00 0.00 C ATOM 1535 CE2 PHE A 93 8.554 8.992 -3.059 1.00 0.00 C ATOM 1536 CZ PHE A 93 7.739 8.711 -1.984 1.00 0.00 C ATOM 0 H PHE A 93 14.013 10.718 -0.786 1.00 0.00 H new ATOM 0 HA PHE A 93 12.214 8.923 0.381 1.00 0.00 H new ATOM 0 HB2 PHE A 93 11.692 11.051 -0.816 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.186 10.316 -2.329 1.00 0.00 H new ATOM 0 HD1 PHE A 93 9.879 9.448 0.510 1.00 0.00 H new ATOM 0 HD2 PHE A 93 10.474 9.659 -3.703 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.579 8.658 0.145 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.182 8.863 -4.065 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.730 8.362 -2.146 1.00 0.00 H new ATOM 1546 N ALA A 94 13.616 7.797 -2.379 1.00 0.00 N ATOM 1547 CA ALA A 94 13.777 6.618 -3.230 1.00 0.00 C ATOM 1548 C ALA A 94 14.198 5.390 -2.430 1.00 0.00 C ATOM 1549 O ALA A 94 13.636 4.307 -2.602 1.00 0.00 O ATOM 1550 CB ALA A 94 14.791 6.900 -4.325 1.00 0.00 C ATOM 0 H ALA A 94 14.188 8.594 -2.659 1.00 0.00 H new ATOM 0 HA ALA A 94 12.807 6.401 -3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 94 14.904 6.016 -4.953 1.00 0.00 H new ATOM 0 HB2 ALA A 94 14.446 7.736 -4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 94 15.752 7.150 -3.875 1.00 0.00 H new ATOM 1556 N SER A 95 15.168 5.565 -1.546 1.00 0.00 N ATOM 1557 CA SER A 95 15.683 4.458 -0.755 1.00 0.00 C ATOM 1558 C SER A 95 14.616 3.904 0.193 1.00 0.00 C ATOM 1559 O SER A 95 14.558 2.702 0.438 1.00 0.00 O ATOM 1560 CB SER A 95 16.910 4.909 0.035 1.00 0.00 C ATOM 1561 OG SER A 95 17.907 5.424 -0.833 1.00 0.00 O ATOM 0 H SER A 95 15.614 6.463 -1.358 1.00 0.00 H new ATOM 0 HA SER A 95 15.968 3.658 -1.438 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.622 5.672 0.758 1.00 0.00 H new ATOM 0 HB3 SER A 95 17.313 4.069 0.601 1.00 0.00 H new ATOM 0 HG SER A 95 18.683 5.709 -0.307 1.00 0.00 H new ATOM 1567 N LEU A 96 13.777 4.779 0.728 1.00 0.00 N ATOM 1568 CA LEU A 96 12.732 4.362 1.661 1.00 0.00 C ATOM 1569 C LEU A 96 11.567 3.654 0.960 1.00 0.00 C ATOM 1570 O LEU A 96 10.960 2.745 1.529 1.00 0.00 O ATOM 1571 CB LEU A 96 12.230 5.545 2.492 1.00 0.00 C ATOM 1572 CG LEU A 96 13.070 5.865 3.740 1.00 0.00 C ATOM 1573 CD1 LEU A 96 14.447 6.385 3.360 1.00 0.00 C ATOM 1574 CD2 LEU A 96 12.352 6.865 4.631 1.00 0.00 C ATOM 0 H LEU A 96 13.796 5.780 0.535 1.00 0.00 H new ATOM 0 HA LEU A 96 13.187 3.635 2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 96 12.200 6.430 1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 96 11.206 5.342 2.804 1.00 0.00 H new ATOM 0 HG LEU A 96 13.202 4.937 4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 96 15.016 6.602 4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.971 5.631 2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 96 14.342 7.296 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 96 12.964 7.077 5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 96 12.180 7.788 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.396 6.449 4.948 1.00 0.00 H new ATOM 1586 N VAL A 97 11.270 4.053 -0.275 1.00 0.00 N ATOM 1587 CA VAL A 97 10.111 3.521 -1.004 1.00 0.00 C ATOM 1588 C VAL A 97 10.212 2.010 -1.226 1.00 0.00 C ATOM 1589 O VAL A 97 9.201 1.303 -1.197 1.00 0.00 O ATOM 1590 CB VAL A 97 9.923 4.220 -2.370 1.00 0.00 C ATOM 1591 CG1 VAL A 97 8.756 3.617 -3.142 1.00 0.00 C ATOM 1592 CG2 VAL A 97 9.703 5.706 -2.179 1.00 0.00 C ATOM 0 H VAL A 97 11.813 4.742 -0.795 1.00 0.00 H new ATOM 0 HA VAL A 97 9.245 3.725 -0.375 1.00 0.00 H new ATOM 0 HB VAL A 97 10.833 4.066 -2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.649 4.129 -4.098 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.944 2.558 -3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.839 3.732 -2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.573 6.182 -3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.811 5.867 -1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.567 6.140 -1.675 1.00 0.00 H new ATOM 1602 N GLN A 98 11.428 1.516 -1.441 1.00 0.00 N ATOM 1603 CA GLN A 98 11.636 0.098 -1.732 1.00 0.00 C ATOM 1604 C GLN A 98 11.060 -0.789 -0.621 1.00 0.00 C ATOM 1605 O GLN A 98 10.595 -1.899 -0.889 1.00 0.00 O ATOM 1606 CB GLN A 98 13.124 -0.207 -1.948 1.00 0.00 C ATOM 1607 CG GLN A 98 13.984 0.015 -0.718 1.00 0.00 C ATOM 1608 CD GLN A 98 15.456 -0.247 -0.965 1.00 0.00 C ATOM 1609 OE1 GLN A 98 16.187 -0.649 -0.059 1.00 0.00 O ATOM 1610 NE2 GLN A 98 15.905 -0.022 -2.191 1.00 0.00 N ATOM 0 H GLN A 98 12.282 2.073 -1.420 1.00 0.00 H new ATOM 0 HA GLN A 98 11.103 -0.129 -2.655 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.229 -1.243 -2.270 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.499 0.418 -2.758 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.857 1.041 -0.374 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.635 -0.636 0.084 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.268 0.311 -2.914 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.888 -0.182 -2.411 1.00 0.00 H new ATOM 1619 N GLN A 99 11.086 -0.297 0.617 1.00 0.00 N ATOM 1620 CA GLN A 99 10.531 -1.039 1.747 1.00 0.00 C ATOM 1621 C GLN A 99 9.013 -1.155 1.635 1.00 0.00 C ATOM 1622 O GLN A 99 8.452 -2.211 1.904 1.00 0.00 O ATOM 1623 CB GLN A 99 10.907 -0.390 3.088 1.00 0.00 C ATOM 1624 CG GLN A 99 12.302 -0.752 3.588 1.00 0.00 C ATOM 1625 CD GLN A 99 13.421 -0.114 2.787 1.00 0.00 C ATOM 1626 OE1 GLN A 99 14.495 -0.691 2.637 1.00 0.00 O ATOM 1627 NE2 GLN A 99 13.189 1.093 2.295 1.00 0.00 N ATOM 0 H GLN A 99 11.484 0.609 0.862 1.00 0.00 H new ATOM 0 HA GLN A 99 10.964 -2.039 1.716 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.839 0.693 2.986 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.175 -0.686 3.840 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.395 -0.448 4.631 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.419 -1.835 3.560 1.00 0.00 H new ATOM 0 HE21 GLN A 99 12.283 1.538 2.442 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.916 1.578 1.769 1.00 0.00 H new ATOM 1636 N HIS A 100 8.357 -0.068 1.226 1.00 0.00 N ATOM 1637 CA HIS A 100 6.904 -0.065 1.034 1.00 0.00 C ATOM 1638 C HIS A 100 6.537 -1.082 -0.043 1.00 0.00 C ATOM 1639 O HIS A 100 5.545 -1.800 0.072 1.00 0.00 O ATOM 1640 CB HIS A 100 6.434 1.345 0.629 1.00 0.00 C ATOM 1641 CG HIS A 100 4.945 1.578 0.685 1.00 0.00 C ATOM 1642 ND1 HIS A 100 4.372 2.822 0.546 1.00 0.00 N ATOM 1643 CD2 HIS A 100 3.906 0.715 0.867 1.00 0.00 C ATOM 1644 CE1 HIS A 100 3.047 2.691 0.647 1.00 0.00 C ATOM 1645 NE2 HIS A 100 2.702 1.429 0.842 1.00 0.00 N ATOM 0 H HIS A 100 8.809 0.823 1.021 1.00 0.00 H new ATOM 0 HA HIS A 100 6.408 -0.339 1.965 1.00 0.00 H new ATOM 0 HB2 HIS A 100 6.922 2.071 1.279 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.777 1.545 -0.386 1.00 0.00 H new ATOM 0 HD2 HIS A 100 3.997 -0.352 1.008 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.347 3.510 0.578 1.00 0.00 H new ATOM 0 HE2 HIS A 100 1.759 1.055 0.951 1.00 0.00 H new ATOM 1653 N LEU A 101 7.375 -1.149 -1.073 1.00 0.00 N ATOM 1654 CA LEU A 101 7.188 -2.091 -2.166 1.00 0.00 C ATOM 1655 C LEU A 101 7.178 -3.530 -1.648 1.00 0.00 C ATOM 1656 O LEU A 101 6.297 -4.316 -1.988 1.00 0.00 O ATOM 1657 CB LEU A 101 8.305 -1.913 -3.202 1.00 0.00 C ATOM 1658 CG LEU A 101 8.196 -2.793 -4.448 1.00 0.00 C ATOM 1659 CD1 LEU A 101 6.988 -2.390 -5.281 1.00 0.00 C ATOM 1660 CD2 LEU A 101 9.470 -2.704 -5.276 1.00 0.00 C ATOM 0 H LEU A 101 8.198 -0.554 -1.171 1.00 0.00 H new ATOM 0 HA LEU A 101 6.225 -1.890 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.322 -0.869 -3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.261 -2.116 -2.718 1.00 0.00 H new ATOM 0 HG LEU A 101 8.064 -3.827 -4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.926 -3.027 -6.164 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.082 -2.504 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.090 -1.350 -5.590 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.375 -3.336 -6.159 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.632 -1.671 -5.585 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.317 -3.041 -4.678 1.00 0.00 H new ATOM 1672 N GLN A 102 8.169 -3.866 -0.828 1.00 0.00 N ATOM 1673 CA GLN A 102 8.260 -5.188 -0.232 1.00 0.00 C ATOM 1674 C GLN A 102 7.148 -5.406 0.789 1.00 0.00 C ATOM 1675 O GLN A 102 6.601 -6.503 0.909 1.00 0.00 O ATOM 1676 CB GLN A 102 9.618 -5.355 0.444 1.00 0.00 C ATOM 1677 CG GLN A 102 10.797 -5.194 -0.498 1.00 0.00 C ATOM 1678 CD GLN A 102 12.127 -5.301 0.217 1.00 0.00 C ATOM 1679 OE1 GLN A 102 12.663 -4.306 0.702 1.00 0.00 O ATOM 1680 NE2 GLN A 102 12.668 -6.507 0.286 1.00 0.00 N ATOM 0 H GLN A 102 8.924 -3.234 -0.562 1.00 0.00 H new ATOM 0 HA GLN A 102 8.149 -5.929 -1.024 1.00 0.00 H new ATOM 0 HB2 GLN A 102 9.705 -4.624 1.248 1.00 0.00 H new ATOM 0 HB3 GLN A 102 9.665 -6.342 0.904 1.00 0.00 H new ATOM 0 HG2 GLN A 102 10.744 -5.956 -1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.732 -4.226 -0.995 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.189 -7.305 -0.130 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.564 -6.638 0.755 1.00 0.00 H new ATOM 1689 N ASP A 103 6.825 -4.346 1.517 1.00 0.00 N ATOM 1690 CA ASP A 103 5.821 -4.396 2.574 1.00 0.00 C ATOM 1691 C ASP A 103 4.464 -4.827 2.035 1.00 0.00 C ATOM 1692 O ASP A 103 3.832 -5.724 2.587 1.00 0.00 O ATOM 1693 CB ASP A 103 5.704 -3.026 3.247 1.00 0.00 C ATOM 1694 CG ASP A 103 4.544 -2.937 4.217 1.00 0.00 C ATOM 1695 OD1 ASP A 103 3.388 -2.869 3.803 1.00 0.00 O ATOM 1696 OD2 ASP A 103 4.732 -2.897 5.433 1.00 0.00 O ATOM 0 H ASP A 103 7.250 -3.427 1.393 1.00 0.00 H new ATOM 0 HA ASP A 103 6.141 -5.137 3.307 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.631 -2.808 3.778 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.588 -2.260 2.480 1.00 0.00 H new ATOM 1701 N GLU A 104 4.016 -4.198 0.954 1.00 0.00 N ATOM 1702 CA GLU A 104 2.711 -4.515 0.388 1.00 0.00 C ATOM 1703 C GLU A 104 2.698 -5.930 -0.170 1.00 0.00 C ATOM 1704 O GLU A 104 1.664 -6.591 -0.174 1.00 0.00 O ATOM 1705 CB GLU A 104 2.326 -3.515 -0.697 1.00 0.00 C ATOM 1706 CG GLU A 104 2.305 -2.074 -0.215 1.00 0.00 C ATOM 1707 CD GLU A 104 1.126 -1.725 0.686 1.00 0.00 C ATOM 1708 OE1 GLU A 104 0.453 -2.635 1.246 1.00 0.00 O ATOM 1709 OE2 GLU A 104 0.868 -0.520 0.860 1.00 0.00 O ATOM 0 H GLU A 104 4.532 -3.472 0.456 1.00 0.00 H new ATOM 0 HA GLU A 104 1.975 -4.449 1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.029 -3.602 -1.526 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.341 -3.774 -1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.230 -1.871 0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.291 -1.414 -1.083 1.00 0.00 H new ATOM 1716 N GLN A 105 3.855 -6.403 -0.624 1.00 0.00 N ATOM 1717 CA GLN A 105 3.982 -7.784 -1.072 1.00 0.00 C ATOM 1718 C GLN A 105 3.732 -8.729 0.097 1.00 0.00 C ATOM 1719 O GLN A 105 3.151 -9.797 -0.072 1.00 0.00 O ATOM 1720 CB GLN A 105 5.368 -8.053 -1.662 1.00 0.00 C ATOM 1721 CG GLN A 105 5.699 -7.199 -2.872 1.00 0.00 C ATOM 1722 CD GLN A 105 7.055 -7.530 -3.460 1.00 0.00 C ATOM 1723 OE1 GLN A 105 7.504 -8.675 -3.413 1.00 0.00 O ATOM 1724 NE2 GLN A 105 7.720 -6.528 -4.004 1.00 0.00 N ATOM 0 H GLN A 105 4.712 -5.854 -0.691 1.00 0.00 H new ATOM 0 HA GLN A 105 3.241 -7.956 -1.852 1.00 0.00 H new ATOM 0 HB2 GLN A 105 6.119 -7.880 -0.892 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.435 -9.104 -1.943 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.932 -7.340 -3.633 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.676 -6.147 -2.588 1.00 0.00 H new ATOM 0 HE21 GLN A 105 7.310 -5.594 -4.022 1.00 0.00 H new ATOM 0 HE22 GLN A 105 8.643 -6.688 -4.407 1.00 0.00 H new ATOM 1733 N ARG A 106 4.184 -8.324 1.281 1.00 0.00 N ATOM 1734 CA ARG A 106 3.940 -9.089 2.498 1.00 0.00 C ATOM 1735 C ARG A 106 2.481 -8.962 2.920 1.00 0.00 C ATOM 1736 O ARG A 106 1.907 -9.893 3.480 1.00 0.00 O ATOM 1737 CB ARG A 106 4.872 -8.631 3.623 1.00 0.00 C ATOM 1738 CG ARG A 106 6.340 -8.881 3.319 1.00 0.00 C ATOM 1739 CD ARG A 106 6.602 -10.355 3.047 1.00 0.00 C ATOM 1740 NE ARG A 106 7.955 -10.594 2.553 1.00 0.00 N ATOM 1741 CZ ARG A 106 8.292 -11.613 1.766 1.00 0.00 C ATOM 1742 NH1 ARG A 106 7.381 -12.516 1.406 1.00 0.00 N ATOM 1743 NH2 ARG A 106 9.544 -11.730 1.345 1.00 0.00 N ATOM 0 H ARG A 106 4.722 -7.469 1.422 1.00 0.00 H new ATOM 0 HA ARG A 106 4.150 -10.139 2.293 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.720 -7.567 3.802 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.604 -9.150 4.543 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.641 -8.290 2.454 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.950 -8.550 4.159 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.446 -10.925 3.963 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.881 -10.722 2.317 1.00 0.00 H new ATOM 0 HE ARG A 106 8.687 -9.939 2.828 1.00 0.00 H new ATOM 0 HH11 ARG A 106 6.419 -12.429 1.734 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.645 -13.295 0.803 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.243 -11.041 1.625 1.00 0.00 H new ATOM 0 HH22 ARG A 106 9.809 -12.509 0.742 1.00 0.00 H new ATOM 1757 N HIS A 107 1.891 -7.802 2.648 1.00 0.00 N ATOM 1758 CA HIS A 107 0.457 -7.607 2.840 1.00 0.00 C ATOM 1759 C HIS A 107 -0.315 -8.599 1.970 1.00 0.00 C ATOM 1760 O HIS A 107 -1.258 -9.251 2.421 1.00 0.00 O ATOM 1761 CB HIS A 107 0.049 -6.167 2.491 1.00 0.00 C ATOM 1762 CG HIS A 107 0.411 -5.154 3.537 1.00 0.00 C ATOM 1763 ND1 HIS A 107 -0.272 -3.965 3.738 1.00 0.00 N ATOM 1764 CD2 HIS A 107 1.389 -5.190 4.473 1.00 0.00 C ATOM 1765 CE1 HIS A 107 0.301 -3.343 4.785 1.00 0.00 C ATOM 1766 NE2 HIS A 107 1.323 -4.038 5.257 1.00 0.00 N ATOM 0 H HIS A 107 2.384 -6.982 2.294 1.00 0.00 H new ATOM 0 HA HIS A 107 0.218 -7.782 3.889 1.00 0.00 H new ATOM 0 HB2 HIS A 107 0.521 -5.886 1.550 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.028 -6.136 2.329 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.108 -5.987 4.594 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -0.031 -2.398 5.188 1.00 0.00 H new ATOM 0 HE2 HIS A 107 1.935 -3.784 6.033 1.00 0.00 H new ATOM 1773 N VAL A 108 0.123 -8.722 0.721 1.00 0.00 N ATOM 1774 CA VAL A 108 -0.455 -9.674 -0.219 1.00 0.00 C ATOM 1775 C VAL A 108 -0.256 -11.112 0.263 1.00 0.00 C ATOM 1776 O VAL A 108 -1.135 -11.945 0.093 1.00 0.00 O ATOM 1777 CB VAL A 108 0.142 -9.505 -1.639 1.00 0.00 C ATOM 1778 CG1 VAL A 108 -0.417 -10.545 -2.600 1.00 0.00 C ATOM 1779 CG2 VAL A 108 -0.131 -8.102 -2.166 1.00 0.00 C ATOM 0 H VAL A 108 0.886 -8.166 0.334 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.524 -9.466 -0.270 1.00 0.00 H new ATOM 0 HB VAL A 108 1.219 -9.654 -1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.021 -10.400 -3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.173 -11.544 -2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.500 -10.437 -2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.295 -7.999 -3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.207 -7.933 -2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.324 -7.368 -1.500 1.00 0.00 H new ATOM 1789 N GLU A 109 0.889 -11.395 0.882 1.00 0.00 N ATOM 1790 CA GLU A 109 1.175 -12.735 1.401 1.00 0.00 C ATOM 1791 C GLU A 109 0.092 -13.196 2.374 1.00 0.00 C ATOM 1792 O GLU A 109 -0.235 -14.383 2.447 1.00 0.00 O ATOM 1793 CB GLU A 109 2.532 -12.766 2.108 1.00 0.00 C ATOM 1794 CG GLU A 109 3.722 -12.590 1.179 1.00 0.00 C ATOM 1795 CD GLU A 109 3.847 -13.710 0.168 1.00 0.00 C ATOM 1796 OE1 GLU A 109 4.480 -14.734 0.487 1.00 0.00 O ATOM 1797 OE2 GLU A 109 3.325 -13.564 -0.956 1.00 0.00 O ATOM 0 H GLU A 109 1.634 -10.716 1.037 1.00 0.00 H new ATOM 0 HA GLU A 109 1.195 -13.413 0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 109 2.554 -11.979 2.862 1.00 0.00 H new ATOM 0 HB3 GLU A 109 2.633 -13.715 2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 109 3.629 -11.640 0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.635 -12.538 1.772 1.00 0.00 H new ATOM 1804 N GLU A 110 -0.446 -12.253 3.137 1.00 0.00 N ATOM 1805 CA GLU A 110 -1.504 -12.552 4.090 1.00 0.00 C ATOM 1806 C GLU A 110 -2.822 -12.856 3.380 1.00 0.00 C ATOM 1807 O GLU A 110 -3.597 -13.699 3.824 1.00 0.00 O ATOM 1808 CB GLU A 110 -1.692 -11.391 5.066 1.00 0.00 C ATOM 1809 CG GLU A 110 -0.437 -11.041 5.853 1.00 0.00 C ATOM 1810 CD GLU A 110 0.137 -12.214 6.627 1.00 0.00 C ATOM 1811 OE1 GLU A 110 -0.581 -13.215 6.842 1.00 0.00 O ATOM 1812 OE2 GLU A 110 1.321 -12.144 7.014 1.00 0.00 O ATOM 0 H GLU A 110 -0.165 -11.273 3.113 1.00 0.00 H new ATOM 0 HA GLU A 110 -1.204 -13.440 4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -2.019 -10.511 4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -2.490 -11.642 5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 110 0.320 -10.664 5.166 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -0.667 -10.234 6.549 1.00 0.00 H new ATOM 1819 N ILE A 111 -3.060 -12.170 2.273 1.00 0.00 N ATOM 1820 CA ILE A 111 -4.317 -12.303 1.545 1.00 0.00 C ATOM 1821 C ILE A 111 -4.262 -13.471 0.564 1.00 0.00 C ATOM 1822 O ILE A 111 -5.153 -14.320 0.534 1.00 0.00 O ATOM 1823 CB ILE A 111 -4.638 -11.010 0.764 1.00 0.00 C ATOM 1824 CG1 ILE A 111 -4.460 -9.788 1.669 1.00 0.00 C ATOM 1825 CG2 ILE A 111 -6.056 -11.065 0.210 1.00 0.00 C ATOM 1826 CD1 ILE A 111 -4.601 -8.471 0.946 1.00 0.00 C ATOM 0 H ILE A 111 -2.399 -11.514 1.857 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.099 -12.488 2.281 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.945 -10.924 -0.073 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.196 -9.832 2.472 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -3.476 -9.833 2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.268 -10.147 -0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -6.152 -11.919 -0.461 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.764 -11.169 1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -4.462 -7.652 1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.848 -8.405 0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -5.595 -8.404 0.503 1.00 0.00 H new ATOM 1838 N GLU A 112 -3.194 -13.513 -0.219 1.00 0.00 N ATOM 1839 CA GLU A 112 -3.010 -14.497 -1.263 1.00 0.00 C ATOM 1840 C GLU A 112 -2.489 -15.818 -0.683 1.00 0.00 C ATOM 1841 O GLU A 112 -1.547 -16.420 -1.198 1.00 0.00 O ATOM 1842 CB GLU A 112 -2.028 -13.900 -2.268 1.00 0.00 C ATOM 1843 CG GLU A 112 -1.788 -14.720 -3.514 1.00 0.00 C ATOM 1844 CD GLU A 112 -2.999 -14.825 -4.419 1.00 0.00 C ATOM 1845 OE1 GLU A 112 -3.911 -13.983 -4.307 1.00 0.00 O ATOM 1846 OE2 GLU A 112 -3.024 -15.744 -5.269 1.00 0.00 O ATOM 0 H GLU A 112 -2.421 -12.852 -0.141 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.956 -14.729 -1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -2.394 -12.918 -2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -1.072 -13.746 -1.767 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -0.964 -14.279 -4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -1.475 -15.723 -3.223 1.00 0.00 H new ATOM 1853 N LYS A 113 -3.103 -16.259 0.406 1.00 0.00 N ATOM 1854 CA LYS A 113 -2.798 -17.567 0.967 1.00 0.00 C ATOM 1855 C LYS A 113 -3.553 -18.625 0.180 1.00 0.00 C ATOM 1856 O LYS A 113 -2.983 -19.628 -0.247 1.00 0.00 O ATOM 1857 CB LYS A 113 -3.180 -17.653 2.451 1.00 0.00 C ATOM 1858 CG LYS A 113 -2.447 -16.663 3.343 1.00 0.00 C ATOM 1859 CD LYS A 113 -2.756 -16.909 4.814 1.00 0.00 C ATOM 1860 CE LYS A 113 -2.264 -15.771 5.695 1.00 0.00 C ATOM 1861 NZ LYS A 113 -0.790 -15.578 5.619 1.00 0.00 N ATOM 0 H LYS A 113 -3.812 -15.733 0.916 1.00 0.00 H new ATOM 0 HA LYS A 113 -1.723 -17.732 0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -4.253 -17.487 2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -2.980 -18.663 2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -1.373 -16.746 3.176 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -2.734 -15.646 3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.832 -17.030 4.944 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -2.290 -17.842 5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -2.762 -14.848 5.400 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -2.547 -15.970 6.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -0.506 -14.813 6.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -0.310 -16.459 5.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -0.522 -15.327 4.646 1.00 0.00 H new ATOM 1875 N LYS A 114 -4.841 -18.377 -0.023 1.00 0.00 N ATOM 1876 CA LYS A 114 -5.685 -19.263 -0.810 1.00 0.00 C ATOM 1877 C LYS A 114 -6.648 -18.439 -1.657 1.00 0.00 C ATOM 1878 O LYS A 114 -7.738 -18.088 -1.202 1.00 0.00 O ATOM 1879 CB LYS A 114 -6.480 -20.217 0.088 1.00 0.00 C ATOM 1880 CG LYS A 114 -5.617 -21.079 0.995 1.00 0.00 C ATOM 1881 CD LYS A 114 -6.458 -22.052 1.801 1.00 0.00 C ATOM 1882 CE LYS A 114 -7.109 -23.094 0.907 1.00 0.00 C ATOM 1883 NZ LYS A 114 -8.014 -23.989 1.670 1.00 0.00 N ATOM 0 H LYS A 114 -5.326 -17.561 0.351 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.040 -19.859 -1.456 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -7.165 -19.634 0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -7.090 -20.866 -0.540 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.895 -21.632 0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -5.048 -20.441 1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -5.833 -22.547 2.544 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.228 -21.505 2.346 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.672 -22.595 0.118 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.336 -23.689 0.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.438 -24.686 1.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -7.472 -24.484 2.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.767 -23.425 2.114 1.00 0.00 H new ATOM 1897 N ASN A 115 -6.226 -18.104 -2.867 1.00 0.00 N ATOM 1898 CA ASN A 115 -7.052 -17.333 -3.790 1.00 0.00 C ATOM 1899 C ASN A 115 -7.058 -18.003 -5.151 1.00 0.00 C ATOM 1900 O ASN A 115 -6.033 -17.913 -5.853 1.00 0.00 O ATOM 1901 CB ASN A 115 -6.535 -15.896 -3.940 1.00 0.00 C ATOM 1902 CG ASN A 115 -6.781 -15.031 -2.717 1.00 0.00 C ATOM 1903 OD1 ASN A 115 -7.754 -15.214 -1.988 1.00 0.00 O ATOM 1904 ND2 ASN A 115 -5.904 -14.066 -2.494 1.00 0.00 N ATOM 1905 OXT ASN A 115 -8.076 -18.622 -5.513 1.00 0.00 O ATOM 0 H ASN A 115 -5.309 -18.355 -3.237 1.00 0.00 H new ATOM 0 HA ASN A 115 -8.062 -17.295 -3.383 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -5.465 -15.923 -4.146 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -7.014 -15.435 -4.803 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -6.023 -13.443 -1.695 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -5.109 -13.945 -3.121 1.00 0.00 H new TER 1912 ASN A 115 HETATM 1913 ZN ZN A 500 3.081 -2.568 5.423 1.00 0.00 ZN HETATM 1914 ZN ZN A 501 0.397 0.893 1.456 1.00 0.00 ZN HETATM 1915 ZN ZN A 502 -1.059 -2.816 1.839 1.00 0.00 ZN