USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 770 hydrogens (30 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 39 HIS HE2 : A 39 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Single : A 1 ASP N :NH3+ -99:sc= 1.18 (180deg=-0.585) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00814 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -1.27 K(o=-1.3,f=-3.7!) USER MOD Single : A 16 ASN : amide:sc= -0.0464 K(o=-0.046,f=-6!) USER MOD Single : A 17 HIS : no HD1:sc= -0.0485 X(o=-0.049,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0725 USER MOD Single : A 21 THR OG1 : rot 23:sc= -0.127 USER MOD Single : A 26 HIS : no HE2:sc= -1.94 K(o=-1.9,f=-3.2!) USER MOD Single : A 27 HIS : no HD1:sc= -0.854 X(o=-0.85,f=-0.39) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 165:sc=-0.00326 USER MOD Single : A 33 THR OG1 : rot 90:sc= 0.9 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.221 K(o=-0.22,f=-2.6!) USER MOD Single : A 55 THR OG1 : rot 105:sc= 0.832 USER MOD Single : A 57 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.65) USER MOD Single : A 64 SER OG : rot 61:sc= 0.636 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -138:sc= -1.12 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0864 K(o=-0.086,f=-1.4) USER MOD Single : A 85 SER OG : rot -54:sc= 0.0147 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -133:sc= 0 (180deg=-0.0432) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HEM CMA :methyl -30:sc= -0.189 (180deg=-0.353) USER MOD Single : A 95 HEM CMB :methyl 150:sc= -8.93! (180deg=-8.93!) USER MOD Single : A 95 HEM CMC :methyl -30:sc= -2.88 (180deg=-2.88) USER MOD Single : A 95 HEM CMD :methyl 150:sc= -1.3 (180deg=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -18.949 -5.225 4.812 1.00 9.15 N ATOM 2 CA ASP A 1 -18.601 -5.880 6.090 1.00 8.30 C ATOM 3 C ASP A 1 -17.093 -5.956 6.129 1.00 7.35 C ATOM 4 O ASP A 1 -16.507 -6.242 5.092 1.00 7.79 O ATOM 5 CB ASP A 1 -19.235 -7.275 6.242 1.00 9.51 C ATOM 6 CG ASP A 1 -19.371 -7.994 4.903 1.00 10.94 C ATOM 7 OD1 ASP A 1 -20.085 -7.408 4.056 1.00 11.51 O ATOM 8 OD2 ASP A 1 -18.730 -9.047 4.727 1.00 11.77 O ATOM 0 H1 ASP A 1 -19.147 -4.218 4.981 1.00 9.15 H new ATOM 0 H2 ASP A 1 -18.154 -5.315 4.148 1.00 9.15 H new ATOM 0 H3 ASP A 1 -19.791 -5.681 4.407 1.00 9.15 H new ATOM 0 HA ASP A 1 -18.997 -5.302 6.925 1.00 8.30 H new ATOM 0 HB2 ASP A 1 -18.626 -7.878 6.916 1.00 9.51 H new ATOM 0 HB3 ASP A 1 -20.218 -7.177 6.702 1.00 9.51 H new ATOM 15 N LYS A 2 -16.487 -5.634 7.282 1.00 6.80 N ATOM 16 CA LYS A 2 -15.044 -5.448 7.435 1.00 6.73 C ATOM 17 C LYS A 2 -14.589 -4.185 6.677 1.00 5.93 C ATOM 18 O LYS A 2 -15.315 -3.663 5.830 1.00 5.55 O ATOM 19 CB LYS A 2 -14.342 -6.727 6.941 1.00 7.93 C ATOM 20 CG LYS A 2 -12.923 -6.967 7.472 1.00 9.37 C ATOM 21 CD LYS A 2 -12.087 -7.734 6.434 1.00 10.77 C ATOM 22 CE LYS A 2 -11.454 -9.002 7.004 1.00 12.36 C ATOM 23 NZ LYS A 2 -10.437 -9.541 6.073 1.00 13.91 N ATOM 0 H LYS A 2 -17.002 -5.494 8.151 1.00 6.80 H new ATOM 0 HA LYS A 2 -14.776 -5.291 8.480 1.00 6.73 H new ATOM 0 HB2 LYS A 2 -14.959 -7.584 7.212 1.00 7.93 H new ATOM 0 HB3 LYS A 2 -14.300 -6.696 5.852 1.00 7.93 H new ATOM 0 HG2 LYS A 2 -12.447 -6.013 7.700 1.00 9.37 H new ATOM 0 HG3 LYS A 2 -12.967 -7.532 8.403 1.00 9.37 H new ATOM 0 HD2 LYS A 2 -12.721 -7.999 5.588 1.00 10.77 H new ATOM 0 HD3 LYS A 2 -11.302 -7.081 6.052 1.00 10.77 H new ATOM 0 HE2 LYS A 2 -10.993 -8.783 7.967 1.00 12.36 H new ATOM 0 HE3 LYS A 2 -12.225 -9.751 7.182 1.00 12.36 H new ATOM 0 HZ1 LYS A 2 -10.018 -10.403 6.478 1.00 13.91 H new ATOM 0 HZ2 LYS A 2 -10.886 -9.769 5.163 1.00 13.91 H new ATOM 0 HZ3 LYS A 2 -9.692 -8.831 5.924 1.00 13.91 H new ATOM 37 N ASP A 3 -13.389 -3.685 6.972 1.00 6.32 N ATOM 38 CA ASP A 3 -12.789 -2.547 6.277 1.00 6.21 C ATOM 39 C ASP A 3 -12.287 -3.004 4.910 1.00 4.92 C ATOM 40 O ASP A 3 -11.095 -3.239 4.719 1.00 5.41 O ATOM 41 CB ASP A 3 -11.650 -1.931 7.110 1.00 8.07 C ATOM 42 CG ASP A 3 -12.175 -0.825 8.021 1.00 8.93 C ATOM 43 OD1 ASP A 3 -13.156 -1.111 8.742 1.00 9.04 O ATOM 44 OD2 ASP A 3 -11.605 0.285 7.969 1.00 9.87 O ATOM 0 H ASP A 3 -12.798 -4.065 7.711 1.00 6.32 H new ATOM 0 HA ASP A 3 -13.542 -1.772 6.139 1.00 6.21 H new ATOM 0 HB2 ASP A 3 -11.174 -2.706 7.710 1.00 8.07 H new ATOM 0 HB3 ASP A 3 -10.886 -1.528 6.446 1.00 8.07 H new ATOM 49 N VAL A 4 -13.196 -3.174 3.949 1.00 3.59 N ATOM 50 CA VAL A 4 -12.837 -3.612 2.614 1.00 2.54 C ATOM 51 C VAL A 4 -13.683 -2.841 1.613 1.00 1.79 C ATOM 52 O VAL A 4 -14.764 -3.280 1.231 1.00 2.28 O ATOM 53 CB VAL A 4 -13.019 -5.130 2.455 1.00 1.90 C ATOM 54 CG1 VAL A 4 -12.331 -5.578 1.170 1.00 2.27 C ATOM 55 CG2 VAL A 4 -12.397 -5.909 3.615 1.00 2.79 C ATOM 0 H VAL A 4 -14.194 -3.011 4.080 1.00 3.59 H new ATOM 0 HA VAL A 4 -11.782 -3.408 2.432 1.00 2.54 H new ATOM 0 HB VAL A 4 -14.090 -5.332 2.434 1.00 1.90 H new ATOM 0 HG11 VAL A 4 -12.454 -6.654 1.047 1.00 2.27 H new ATOM 0 HG12 VAL A 4 -12.777 -5.063 0.320 1.00 2.27 H new ATOM 0 HG13 VAL A 4 -11.269 -5.338 1.223 1.00 2.27 H new ATOM 0 HG21 VAL A 4 -12.550 -6.977 3.460 1.00 2.79 H new ATOM 0 HG22 VAL A 4 -11.329 -5.699 3.663 1.00 2.79 H new ATOM 0 HG23 VAL A 4 -12.868 -5.607 4.550 1.00 2.79 H new ATOM 65 N LYS A 5 -13.195 -1.698 1.133 1.00 1.28 N ATOM 66 CA LYS A 5 -13.956 -0.917 0.168 1.00 0.70 C ATOM 67 C LYS A 5 -13.691 -1.360 -1.272 1.00 0.77 C ATOM 68 O LYS A 5 -13.872 -0.543 -2.163 1.00 1.61 O ATOM 69 CB LYS A 5 -13.647 0.565 0.386 1.00 1.09 C ATOM 70 CG LYS A 5 -14.774 1.478 -0.125 1.00 1.66 C ATOM 71 CD LYS A 5 -14.871 2.689 0.805 1.00 1.82 C ATOM 72 CE LYS A 5 -15.875 3.732 0.305 1.00 2.73 C ATOM 73 NZ LYS A 5 -17.236 3.514 0.843 1.00 3.52 N ATOM 0 H LYS A 5 -12.292 -1.300 1.393 1.00 1.28 H new ATOM 0 HA LYS A 5 -15.021 -1.087 0.329 1.00 0.70 H new ATOM 0 HB2 LYS A 5 -13.488 0.748 1.449 1.00 1.09 H new ATOM 0 HB3 LYS A 5 -12.718 0.819 -0.124 1.00 1.09 H new ATOM 0 HG2 LYS A 5 -14.569 1.799 -1.146 1.00 1.66 H new ATOM 0 HG3 LYS A 5 -15.721 0.938 -0.145 1.00 1.66 H new ATOM 0 HD2 LYS A 5 -15.163 2.356 1.801 1.00 1.82 H new ATOM 0 HD3 LYS A 5 -13.888 3.151 0.899 1.00 1.82 H new ATOM 0 HE2 LYS A 5 -15.531 4.727 0.588 1.00 2.73 H new ATOM 0 HE3 LYS A 5 -15.910 3.705 -0.784 1.00 2.73 H new ATOM 0 HZ1 LYS A 5 -17.876 4.246 0.474 1.00 3.52 H new ATOM 0 HZ2 LYS A 5 -17.578 2.576 0.552 1.00 3.52 H new ATOM 0 HZ3 LYS A 5 -17.211 3.567 1.881 1.00 3.52 H new ATOM 87 N TYR A 6 -13.249 -2.615 -1.466 1.00 0.83 N ATOM 88 CA TYR A 6 -12.992 -3.312 -2.725 1.00 0.76 C ATOM 89 C TYR A 6 -12.761 -2.353 -3.894 1.00 0.67 C ATOM 90 O TYR A 6 -13.709 -1.928 -4.544 1.00 0.77 O ATOM 91 CB TYR A 6 -14.120 -4.315 -3.030 1.00 0.88 C ATOM 92 CG TYR A 6 -13.844 -5.738 -2.574 1.00 1.08 C ATOM 93 CD1 TYR A 6 -12.680 -6.395 -3.017 1.00 2.57 C ATOM 94 CD2 TYR A 6 -14.770 -6.430 -1.770 1.00 1.64 C ATOM 95 CE1 TYR A 6 -12.429 -7.730 -2.655 1.00 3.11 C ATOM 96 CE2 TYR A 6 -14.537 -7.774 -1.421 1.00 1.76 C ATOM 97 CZ TYR A 6 -13.365 -8.428 -1.860 1.00 2.14 C ATOM 98 OH TYR A 6 -13.154 -9.732 -1.527 1.00 2.74 O ATOM 0 H TYR A 6 -13.046 -3.217 -0.668 1.00 0.83 H new ATOM 0 HA TYR A 6 -12.062 -3.867 -2.601 1.00 0.76 H new ATOM 0 HB2 TYR A 6 -15.036 -3.966 -2.554 1.00 0.88 H new ATOM 0 HB3 TYR A 6 -14.302 -4.321 -4.105 1.00 0.88 H new ATOM 0 HD1 TYR A 6 -11.973 -5.868 -3.641 1.00 2.57 H new ATOM 0 HD2 TYR A 6 -15.661 -5.929 -1.420 1.00 1.64 H new ATOM 0 HE1 TYR A 6 -11.524 -8.220 -2.983 1.00 3.11 H new ATOM 0 HE2 TYR A 6 -15.256 -8.306 -0.816 1.00 1.76 H new ATOM 0 HH TYR A 6 -13.898 -10.053 -0.976 1.00 2.74 H new ATOM 108 N TYR A 7 -11.509 -1.983 -4.161 1.00 0.56 N ATOM 109 CA TYR A 7 -11.191 -1.013 -5.173 1.00 0.51 C ATOM 110 C TYR A 7 -10.659 -1.716 -6.418 1.00 0.51 C ATOM 111 O TYR A 7 -10.229 -2.872 -6.373 1.00 0.50 O ATOM 112 CB TYR A 7 -10.188 -0.044 -4.551 1.00 0.46 C ATOM 113 CG TYR A 7 -10.850 1.081 -3.774 1.00 0.44 C ATOM 114 CD1 TYR A 7 -11.712 1.977 -4.431 1.00 1.83 C ATOM 115 CD2 TYR A 7 -10.619 1.229 -2.396 1.00 1.93 C ATOM 116 CE1 TYR A 7 -12.299 3.047 -3.734 1.00 1.97 C ATOM 117 CE2 TYR A 7 -11.211 2.290 -1.686 1.00 1.87 C ATOM 118 CZ TYR A 7 -12.048 3.211 -2.355 1.00 0.65 C ATOM 119 OH TYR A 7 -12.600 4.257 -1.678 1.00 0.83 O ATOM 0 H TYR A 7 -10.695 -2.356 -3.673 1.00 0.56 H new ATOM 0 HA TYR A 7 -12.067 -0.454 -5.503 1.00 0.51 H new ATOM 0 HB2 TYR A 7 -9.524 -0.595 -3.886 1.00 0.46 H new ATOM 0 HB3 TYR A 7 -9.567 0.383 -5.339 1.00 0.46 H new ATOM 0 HD1 TYR A 7 -11.925 1.842 -5.481 1.00 1.83 H new ATOM 0 HD2 TYR A 7 -9.984 0.525 -1.879 1.00 1.93 H new ATOM 0 HE1 TYR A 7 -12.941 3.743 -4.253 1.00 1.97 H new ATOM 0 HE2 TYR A 7 -11.025 2.400 -0.628 1.00 1.87 H new ATOM 0 HH TYR A 7 -12.326 4.219 -0.738 1.00 0.83 H new ATOM 129 N THR A 8 -10.719 -1.020 -7.553 1.00 0.56 N ATOM 130 CA THR A 8 -10.290 -1.556 -8.829 1.00 0.59 C ATOM 131 C THR A 8 -8.839 -1.156 -9.074 1.00 0.57 C ATOM 132 O THR A 8 -8.312 -0.250 -8.426 1.00 0.74 O ATOM 133 CB THR A 8 -11.191 -0.981 -9.927 1.00 0.68 C ATOM 134 OG1 THR A 8 -11.114 0.427 -9.885 1.00 0.80 O ATOM 135 CG2 THR A 8 -12.651 -1.392 -9.733 1.00 0.85 C ATOM 0 H THR A 8 -11.070 -0.064 -7.605 1.00 0.56 H new ATOM 0 HA THR A 8 -10.363 -2.644 -8.833 1.00 0.59 H new ATOM 0 HB THR A 8 -10.848 -1.370 -10.886 1.00 0.68 H new ATOM 0 HG1 THR A 8 -11.685 0.807 -10.585 1.00 0.80 H new ATOM 0 HG21 THR A 8 -13.258 -0.965 -10.531 1.00 0.85 H new ATOM 0 HG22 THR A 8 -12.730 -2.479 -9.759 1.00 0.85 H new ATOM 0 HG23 THR A 8 -13.007 -1.026 -8.770 1.00 0.85 H new ATOM 143 N LEU A 9 -8.178 -1.793 -10.042 1.00 0.54 N ATOM 144 CA LEU A 9 -6.766 -1.513 -10.273 1.00 0.54 C ATOM 145 C LEU A 9 -6.596 -0.097 -10.784 1.00 0.52 C ATOM 146 O LEU A 9 -5.739 0.629 -10.294 1.00 0.52 O ATOM 147 CB LEU A 9 -6.098 -2.483 -11.247 1.00 0.62 C ATOM 148 CG LEU A 9 -6.281 -3.950 -10.859 1.00 0.70 C ATOM 149 CD1 LEU A 9 -6.134 -4.194 -9.356 1.00 0.88 C ATOM 150 CD2 LEU A 9 -7.640 -4.436 -11.354 1.00 0.99 C ATOM 0 H LEU A 9 -8.588 -2.490 -10.664 1.00 0.54 H new ATOM 0 HA LEU A 9 -6.271 -1.640 -9.310 1.00 0.54 H new ATOM 0 HB2 LEU A 9 -6.507 -2.324 -12.245 1.00 0.62 H new ATOM 0 HB3 LEU A 9 -5.033 -2.258 -11.300 1.00 0.62 H new ATOM 0 HG LEU A 9 -5.484 -4.519 -11.337 1.00 0.70 H new ATOM 0 HD11 LEU A 9 -6.275 -5.254 -9.144 1.00 0.88 H new ATOM 0 HD12 LEU A 9 -5.139 -3.888 -9.033 1.00 0.88 H new ATOM 0 HD13 LEU A 9 -6.884 -3.614 -8.818 1.00 0.88 H new ATOM 0 HD21 LEU A 9 -7.774 -5.482 -11.079 1.00 0.99 H new ATOM 0 HD22 LEU A 9 -8.429 -3.837 -10.899 1.00 0.99 H new ATOM 0 HD23 LEU A 9 -7.689 -4.336 -12.438 1.00 0.99 H new ATOM 162 N GLU A 10 -7.425 0.281 -11.760 1.00 0.55 N ATOM 163 CA GLU A 10 -7.430 1.612 -12.350 1.00 0.57 C ATOM 164 C GLU A 10 -7.666 2.689 -11.293 1.00 0.52 C ATOM 165 O GLU A 10 -7.257 3.825 -11.505 1.00 0.75 O ATOM 166 CB GLU A 10 -8.457 1.672 -13.498 1.00 0.71 C ATOM 167 CG GLU A 10 -7.737 1.679 -14.857 1.00 1.27 C ATOM 168 CD GLU A 10 -8.613 1.154 -16.001 1.00 1.78 C ATOM 169 OE1 GLU A 10 -9.765 1.626 -16.104 1.00 2.19 O ATOM 170 OE2 GLU A 10 -8.112 0.290 -16.761 1.00 2.89 O ATOM 0 H GLU A 10 -8.122 -0.344 -12.166 1.00 0.55 H new ATOM 0 HA GLU A 10 -6.447 1.817 -12.774 1.00 0.57 H new ATOM 0 HB2 GLU A 10 -9.129 0.816 -13.439 1.00 0.71 H new ATOM 0 HB3 GLU A 10 -9.071 2.567 -13.399 1.00 0.71 H new ATOM 0 HG2 GLU A 10 -7.418 2.695 -15.088 1.00 1.27 H new ATOM 0 HG3 GLU A 10 -6.836 1.070 -14.788 1.00 1.27 H new ATOM 177 N GLU A 11 -8.252 2.343 -10.145 1.00 0.52 N ATOM 178 CA GLU A 11 -8.401 3.282 -9.049 1.00 0.48 C ATOM 179 C GLU A 11 -7.116 3.348 -8.220 1.00 0.42 C ATOM 180 O GLU A 11 -6.600 4.424 -7.929 1.00 0.43 O ATOM 181 CB GLU A 11 -9.602 2.846 -8.199 1.00 0.51 C ATOM 182 CG GLU A 11 -9.903 3.798 -7.045 1.00 1.23 C ATOM 183 CD GLU A 11 -10.455 5.142 -7.541 1.00 1.19 C ATOM 184 OE1 GLU A 11 -9.740 5.827 -8.309 1.00 2.10 O ATOM 185 OE2 GLU A 11 -11.626 5.432 -7.210 1.00 1.82 O ATOM 0 H GLU A 11 -8.630 1.414 -9.957 1.00 0.52 H new ATOM 0 HA GLU A 11 -8.581 4.286 -9.433 1.00 0.48 H new ATOM 0 HB2 GLU A 11 -10.482 2.771 -8.838 1.00 0.51 H new ATOM 0 HB3 GLU A 11 -9.413 1.850 -7.799 1.00 0.51 H new ATOM 0 HG2 GLU A 11 -10.625 3.335 -6.372 1.00 1.23 H new ATOM 0 HG3 GLU A 11 -8.994 3.969 -6.469 1.00 1.23 H new ATOM 192 N ILE A 12 -6.550 2.206 -7.833 1.00 0.41 N ATOM 193 CA ILE A 12 -5.368 2.194 -6.976 1.00 0.44 C ATOM 194 C ILE A 12 -4.211 2.932 -7.648 1.00 0.54 C ATOM 195 O ILE A 12 -3.535 3.745 -7.018 1.00 0.60 O ATOM 196 CB ILE A 12 -5.019 0.738 -6.641 1.00 0.48 C ATOM 197 CG1 ILE A 12 -6.132 0.155 -5.767 1.00 0.46 C ATOM 198 CG2 ILE A 12 -3.681 0.586 -5.916 1.00 0.59 C ATOM 199 CD1 ILE A 12 -6.481 -1.281 -6.161 1.00 0.81 C ATOM 0 H ILE A 12 -6.890 1.282 -8.098 1.00 0.41 H new ATOM 0 HA ILE A 12 -5.570 2.722 -6.044 1.00 0.44 H new ATOM 0 HB ILE A 12 -4.928 0.202 -7.586 1.00 0.48 H new ATOM 0 HG12 ILE A 12 -5.822 0.179 -4.722 1.00 0.46 H new ATOM 0 HG13 ILE A 12 -7.022 0.779 -5.849 1.00 0.46 H new ATOM 0 HG21 ILE A 12 -3.497 -0.468 -5.710 1.00 0.59 H new ATOM 0 HG22 ILE A 12 -2.881 0.978 -6.543 1.00 0.59 H new ATOM 0 HG23 ILE A 12 -3.711 1.140 -4.977 1.00 0.59 H new ATOM 0 HD11 ILE A 12 -7.275 -1.653 -5.514 1.00 0.81 H new ATOM 0 HD12 ILE A 12 -6.818 -1.302 -7.198 1.00 0.81 H new ATOM 0 HD13 ILE A 12 -5.599 -1.913 -6.053 1.00 0.81 H new ATOM 211 N LYS A 13 -4.040 2.737 -8.958 1.00 0.61 N ATOM 212 CA LYS A 13 -3.081 3.470 -9.785 1.00 0.69 C ATOM 213 C LYS A 13 -3.572 4.867 -10.175 1.00 0.60 C ATOM 214 O LYS A 13 -3.176 5.389 -11.216 1.00 0.81 O ATOM 215 CB LYS A 13 -2.673 2.603 -10.982 1.00 0.99 C ATOM 216 CG LYS A 13 -3.811 2.361 -11.982 1.00 1.66 C ATOM 217 CD LYS A 13 -3.730 0.930 -12.531 1.00 1.25 C ATOM 218 CE LYS A 13 -2.453 0.760 -13.353 1.00 1.50 C ATOM 219 NZ LYS A 13 -2.198 -0.659 -13.678 1.00 1.89 N ATOM 0 H LYS A 13 -4.578 2.049 -9.484 1.00 0.61 H new ATOM 0 HA LYS A 13 -2.187 3.664 -9.193 1.00 0.69 H new ATOM 0 HB2 LYS A 13 -1.841 3.081 -11.500 1.00 0.99 H new ATOM 0 HB3 LYS A 13 -2.311 1.642 -10.617 1.00 0.99 H new ATOM 0 HG2 LYS A 13 -4.774 2.519 -11.496 1.00 1.66 H new ATOM 0 HG3 LYS A 13 -3.746 3.078 -12.801 1.00 1.66 H new ATOM 0 HD2 LYS A 13 -3.742 0.215 -11.709 1.00 1.25 H new ATOM 0 HD3 LYS A 13 -4.602 0.719 -13.150 1.00 1.25 H new ATOM 0 HE2 LYS A 13 -2.534 1.336 -14.275 1.00 1.50 H new ATOM 0 HE3 LYS A 13 -1.606 1.164 -12.798 1.00 1.50 H new ATOM 0 HZ1 LYS A 13 -1.324 -0.736 -14.236 1.00 1.89 H new ATOM 0 HZ2 LYS A 13 -2.096 -1.204 -12.798 1.00 1.89 H new ATOM 0 HZ3 LYS A 13 -2.995 -1.038 -14.229 1.00 1.89 H new ATOM 233 N LYS A 14 -4.433 5.466 -9.349 1.00 0.79 N ATOM 234 CA LYS A 14 -4.928 6.829 -9.481 1.00 0.74 C ATOM 235 C LYS A 14 -4.714 7.632 -8.203 1.00 0.71 C ATOM 236 O LYS A 14 -4.513 8.839 -8.269 1.00 1.05 O ATOM 237 CB LYS A 14 -6.433 6.815 -9.816 1.00 0.74 C ATOM 238 CG LYS A 14 -6.719 7.601 -11.091 1.00 1.17 C ATOM 239 CD LYS A 14 -6.499 6.664 -12.278 1.00 2.85 C ATOM 240 CE LYS A 14 -6.076 7.445 -13.523 1.00 4.02 C ATOM 241 NZ LYS A 14 -7.186 8.248 -14.077 1.00 4.29 N ATOM 0 H LYS A 14 -4.819 4.988 -8.535 1.00 0.79 H new ATOM 0 HA LYS A 14 -4.367 7.303 -10.287 1.00 0.74 H new ATOM 0 HB2 LYS A 14 -6.773 5.786 -9.936 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -6.997 7.243 -8.987 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -7.742 7.977 -11.086 1.00 1.17 H new ATOM 0 HG3 LYS A 14 -6.061 8.467 -11.161 1.00 1.17 H new ATOM 0 HD2 LYS A 14 -5.734 5.929 -12.028 1.00 2.85 H new ATOM 0 HD3 LYS A 14 -7.416 6.112 -12.485 1.00 2.85 H new ATOM 0 HE2 LYS A 14 -5.243 8.102 -13.273 1.00 4.02 H new ATOM 0 HE3 LYS A 14 -5.717 6.750 -14.282 1.00 4.02 H new ATOM 0 HZ1 LYS A 14 -6.856 8.761 -14.919 1.00 4.29 H new ATOM 0 HZ2 LYS A 14 -7.972 7.619 -14.340 1.00 4.29 H new ATOM 0 HZ3 LYS A 14 -7.512 8.929 -13.362 1.00 4.29 H new ATOM 255 N HIS A 15 -4.707 7.007 -7.024 1.00 0.92 N ATOM 256 CA HIS A 15 -4.434 7.709 -5.775 1.00 1.11 C ATOM 257 C HIS A 15 -2.930 7.688 -5.493 1.00 1.41 C ATOM 258 O HIS A 15 -2.499 7.374 -4.386 1.00 2.84 O ATOM 259 CB HIS A 15 -5.206 7.037 -4.646 1.00 1.33 C ATOM 260 CG HIS A 15 -6.699 7.002 -4.844 1.00 1.21 C ATOM 261 ND1 HIS A 15 -7.598 7.988 -4.486 1.00 1.51 N ATOM 262 CD2 HIS A 15 -7.410 5.963 -5.374 1.00 1.05 C ATOM 263 CE1 HIS A 15 -8.829 7.533 -4.781 1.00 1.48 C ATOM 264 NE2 HIS A 15 -8.761 6.300 -5.298 1.00 1.19 N ATOM 0 H HIS A 15 -4.889 6.010 -6.911 1.00 0.92 H new ATOM 0 HA HIS A 15 -4.755 8.748 -5.851 1.00 1.11 H new ATOM 0 HB2 HIS A 15 -4.843 6.015 -4.533 1.00 1.33 H new ATOM 0 HB3 HIS A 15 -4.988 7.558 -3.714 1.00 1.33 H new ATOM 0 HD1 HIS A 15 -7.371 8.893 -4.074 1.00 1.51 H new ATOM 0 HD2 HIS A 15 -7.001 5.049 -5.778 1.00 1.05 H new ATOM 0 HE1 HIS A 15 -9.744 8.085 -4.623 1.00 1.48 H new ATOM 272 N ASN A 16 -2.134 7.990 -6.516 1.00 1.01 N ATOM 273 CA ASN A 16 -0.679 8.022 -6.525 1.00 1.01 C ATOM 274 C ASN A 16 -0.197 9.433 -6.875 1.00 1.15 C ATOM 275 O ASN A 16 0.296 9.692 -7.969 1.00 1.83 O ATOM 276 CB ASN A 16 -0.135 6.966 -7.502 1.00 1.02 C ATOM 277 CG ASN A 16 -0.619 7.134 -8.942 1.00 1.43 C ATOM 278 OD1 ASN A 16 -1.725 7.592 -9.201 1.00 3.06 O ATOM 279 ND2 ASN A 16 0.180 6.709 -9.910 1.00 1.71 N ATOM 0 H ASN A 16 -2.521 8.237 -7.427 1.00 1.01 H new ATOM 0 HA ASN A 16 -0.296 7.776 -5.534 1.00 1.01 H new ATOM 0 HB2 ASN A 16 0.954 7.004 -7.490 1.00 1.02 H new ATOM 0 HB3 ASN A 16 -0.423 5.977 -7.147 1.00 1.02 H new ATOM 0 HD21 ASN A 16 -0.124 6.762 -10.882 1.00 1.71 H new ATOM 0 HD22 ASN A 16 1.099 6.329 -9.683 1.00 1.71 H new ATOM 286 N HIS A 17 -0.347 10.355 -5.927 1.00 0.77 N ATOM 287 CA HIS A 17 -0.001 11.764 -6.032 1.00 0.97 C ATOM 288 C HIS A 17 0.947 12.122 -4.882 1.00 1.04 C ATOM 289 O HIS A 17 1.430 11.241 -4.178 1.00 1.93 O ATOM 290 CB HIS A 17 -1.286 12.607 -6.023 1.00 1.24 C ATOM 291 CG HIS A 17 -2.090 12.509 -7.295 1.00 1.37 C ATOM 292 ND1 HIS A 17 -2.290 13.529 -8.200 1.00 2.54 N ATOM 293 CD2 HIS A 17 -2.759 11.406 -7.757 1.00 1.21 C ATOM 294 CE1 HIS A 17 -3.054 13.042 -9.193 1.00 3.12 C ATOM 295 NE2 HIS A 17 -3.364 11.759 -8.965 1.00 2.32 N ATOM 0 H HIS A 17 -0.736 10.122 -5.013 1.00 0.77 H new ATOM 0 HA HIS A 17 0.514 11.975 -6.969 1.00 0.97 H new ATOM 0 HB2 HIS A 17 -1.909 12.293 -5.186 1.00 1.24 H new ATOM 0 HB3 HIS A 17 -1.023 13.651 -5.850 1.00 1.24 H new ATOM 0 HD2 HIS A 17 -2.809 10.441 -7.275 1.00 1.21 H new ATOM 0 HE1 HIS A 17 -3.374 13.607 -10.056 1.00 3.12 H new ATOM 0 HE2 HIS A 17 -3.933 11.156 -9.559 1.00 2.32 H new ATOM 303 N SER A 18 1.233 13.413 -4.691 1.00 1.44 N ATOM 304 CA SER A 18 2.114 13.906 -3.634 1.00 1.70 C ATOM 305 C SER A 18 1.788 13.328 -2.255 1.00 1.87 C ATOM 306 O SER A 18 2.697 13.031 -1.486 1.00 2.99 O ATOM 307 CB SER A 18 2.004 15.430 -3.570 1.00 1.70 C ATOM 308 OG SER A 18 0.648 15.801 -3.386 1.00 3.05 O ATOM 0 H SER A 18 0.851 14.155 -5.277 1.00 1.44 H new ATOM 0 HA SER A 18 3.125 13.585 -3.884 1.00 1.70 H new ATOM 0 HB2 SER A 18 2.611 15.815 -2.751 1.00 1.70 H new ATOM 0 HB3 SER A 18 2.391 15.872 -4.488 1.00 1.70 H new ATOM 0 HG SER A 18 0.579 16.778 -3.343 1.00 3.05 H new ATOM 314 N LYS A 19 0.497 13.204 -1.934 1.00 1.60 N ATOM 315 CA LYS A 19 0.052 12.726 -0.634 1.00 2.36 C ATOM 316 C LYS A 19 -0.500 11.317 -0.797 1.00 2.55 C ATOM 317 O LYS A 19 0.127 10.366 -0.349 1.00 4.29 O ATOM 318 CB LYS A 19 -0.907 13.756 -0.010 1.00 2.86 C ATOM 319 CG LYS A 19 -0.886 13.722 1.527 1.00 4.24 C ATOM 320 CD LYS A 19 -1.217 15.097 2.128 1.00 4.79 C ATOM 321 CE LYS A 19 0.030 15.768 2.729 1.00 6.30 C ATOM 322 NZ LYS A 19 0.022 15.766 4.209 1.00 7.86 N ATOM 0 H LYS A 19 -0.265 13.434 -2.572 1.00 1.60 H new ATOM 0 HA LYS A 19 0.869 12.640 0.082 1.00 2.36 H new ATOM 0 HB2 LYS A 19 -0.636 14.755 -0.352 1.00 2.86 H new ATOM 0 HB3 LYS A 19 -1.921 13.563 -0.361 1.00 2.86 H new ATOM 0 HG2 LYS A 19 -1.605 12.985 1.885 1.00 4.24 H new ATOM 0 HG3 LYS A 19 0.097 13.401 1.871 1.00 4.24 H new ATOM 0 HD2 LYS A 19 -1.640 15.740 1.356 1.00 4.79 H new ATOM 0 HD3 LYS A 19 -1.978 14.983 2.900 1.00 4.79 H new ATOM 0 HE2 LYS A 19 0.922 15.252 2.374 1.00 6.30 H new ATOM 0 HE3 LYS A 19 0.093 16.796 2.371 1.00 6.30 H new ATOM 0 HZ1 LYS A 19 0.884 16.230 4.561 1.00 7.86 H new ATOM 0 HZ2 LYS A 19 -0.814 16.281 4.552 1.00 7.86 H new ATOM 0 HZ3 LYS A 19 -0.010 14.786 4.555 1.00 7.86 H new ATOM 336 N SER A 20 -1.661 11.186 -1.439 1.00 1.14 N ATOM 337 CA SER A 20 -2.267 9.928 -1.828 1.00 1.13 C ATOM 338 C SER A 20 -1.210 8.959 -2.337 1.00 1.22 C ATOM 339 O SER A 20 -0.561 9.190 -3.347 1.00 2.30 O ATOM 340 CB SER A 20 -3.347 10.208 -2.869 1.00 1.48 C ATOM 341 OG SER A 20 -4.122 11.315 -2.444 1.00 2.18 O ATOM 0 H SER A 20 -2.223 11.993 -1.710 1.00 1.14 H new ATOM 0 HA SER A 20 -2.733 9.451 -0.966 1.00 1.13 H new ATOM 0 HB2 SER A 20 -2.892 10.417 -3.837 1.00 1.48 H new ATOM 0 HB3 SER A 20 -3.982 9.331 -2.998 1.00 1.48 H new ATOM 0 HG SER A 20 -4.817 11.502 -3.109 1.00 2.18 H new ATOM 347 N THR A 21 -1.005 7.877 -1.616 1.00 0.49 N ATOM 348 CA THR A 21 0.002 6.900 -1.897 1.00 0.44 C ATOM 349 C THR A 21 -0.616 5.604 -1.425 1.00 0.36 C ATOM 350 O THR A 21 -0.529 5.218 -0.262 1.00 0.37 O ATOM 351 CB THR A 21 1.294 7.306 -1.187 1.00 0.45 C ATOM 352 OG1 THR A 21 2.019 8.213 -1.992 1.00 0.94 O ATOM 353 CG2 THR A 21 2.210 6.117 -0.955 1.00 0.46 C ATOM 0 H THR A 21 -1.560 7.654 -0.790 1.00 0.49 H new ATOM 0 HA THR A 21 0.290 6.802 -2.944 1.00 0.44 H new ATOM 0 HB THR A 21 1.001 7.746 -0.234 1.00 0.45 H new ATOM 0 HG1 THR A 21 1.408 8.655 -2.618 1.00 0.94 H new ATOM 0 HG21 THR A 21 3.116 6.449 -0.448 1.00 0.46 H new ATOM 0 HG22 THR A 21 1.699 5.379 -0.337 1.00 0.46 H new ATOM 0 HG23 THR A 21 2.474 5.668 -1.913 1.00 0.46 H new ATOM 361 N TRP A 22 -1.347 4.980 -2.336 1.00 0.33 N ATOM 362 CA TRP A 22 -1.795 3.623 -2.130 1.00 0.35 C ATOM 363 C TRP A 22 -0.749 2.692 -2.694 1.00 0.34 C ATOM 364 O TRP A 22 0.260 3.151 -3.217 1.00 0.38 O ATOM 365 CB TRP A 22 -3.147 3.440 -2.803 1.00 0.41 C ATOM 366 CG TRP A 22 -4.268 4.112 -2.086 1.00 0.42 C ATOM 367 CD1 TRP A 22 -4.171 4.925 -1.010 1.00 0.48 C ATOM 368 CD2 TRP A 22 -5.683 3.997 -2.372 1.00 0.43 C ATOM 369 NE1 TRP A 22 -5.433 5.320 -0.618 1.00 0.54 N ATOM 370 CE2 TRP A 22 -6.404 4.797 -1.443 1.00 0.52 C ATOM 371 CE3 TRP A 22 -6.422 3.276 -3.326 1.00 0.43 C ATOM 372 CZ2 TRP A 22 -7.798 4.908 -1.483 1.00 0.62 C ATOM 373 CZ3 TRP A 22 -7.819 3.395 -3.397 1.00 0.52 C ATOM 374 CH2 TRP A 22 -8.503 4.224 -2.489 1.00 0.61 C ATOM 0 H TRP A 22 -1.639 5.395 -3.221 1.00 0.33 H new ATOM 0 HA TRP A 22 -1.921 3.399 -1.071 1.00 0.35 H new ATOM 0 HB2 TRP A 22 -3.093 3.829 -3.820 1.00 0.41 H new ATOM 0 HB3 TRP A 22 -3.363 2.375 -2.880 1.00 0.41 H new ATOM 0 HD1 TRP A 22 -3.249 5.219 -0.532 1.00 0.48 H new ATOM 0 HE1 TRP A 22 -5.623 5.923 0.182 1.00 0.54 H new ATOM 0 HE3 TRP A 22 -5.908 2.621 -4.014 1.00 0.43 H new ATOM 0 HZ2 TRP A 22 -8.323 5.508 -0.755 1.00 0.62 H new ATOM 0 HZ3 TRP A 22 -8.369 2.850 -4.149 1.00 0.52 H new ATOM 0 HH2 TRP A 22 -9.575 4.335 -2.565 1.00 0.61 H new ATOM 385 N LEU A 23 -0.981 1.393 -2.577 1.00 0.34 N ATOM 386 CA LEU A 23 -0.172 0.341 -3.164 1.00 0.37 C ATOM 387 C LEU A 23 -0.901 -0.976 -2.937 1.00 0.42 C ATOM 388 O LEU A 23 -1.883 -1.028 -2.199 1.00 0.47 O ATOM 389 CB LEU A 23 1.278 0.405 -2.638 1.00 0.43 C ATOM 390 CG LEU A 23 1.424 0.618 -1.119 1.00 0.49 C ATOM 391 CD1 LEU A 23 1.314 -0.678 -0.345 1.00 0.57 C ATOM 392 CD2 LEU A 23 2.790 1.240 -0.793 1.00 0.56 C ATOM 0 H LEU A 23 -1.773 1.030 -2.047 1.00 0.34 H new ATOM 0 HA LEU A 23 -0.055 0.460 -4.241 1.00 0.37 H new ATOM 0 HB2 LEU A 23 1.785 -0.521 -2.908 1.00 0.43 H new ATOM 0 HB3 LEU A 23 1.797 1.214 -3.152 1.00 0.43 H new ATOM 0 HG LEU A 23 0.611 1.282 -0.824 1.00 0.49 H new ATOM 0 HD11 LEU A 23 1.423 -0.476 0.720 1.00 0.57 H new ATOM 0 HD12 LEU A 23 0.340 -1.131 -0.530 1.00 0.57 H new ATOM 0 HD13 LEU A 23 2.099 -1.362 -0.667 1.00 0.57 H new ATOM 0 HD21 LEU A 23 2.877 1.384 0.284 1.00 0.56 H new ATOM 0 HD22 LEU A 23 3.583 0.576 -1.135 1.00 0.56 H new ATOM 0 HD23 LEU A 23 2.881 2.203 -1.296 1.00 0.56 H new ATOM 404 N ILE A 24 -0.448 -2.038 -3.586 1.00 0.44 N ATOM 405 CA ILE A 24 -1.053 -3.351 -3.508 1.00 0.49 C ATOM 406 C ILE A 24 -0.058 -4.156 -2.677 1.00 0.49 C ATOM 407 O ILE A 24 1.108 -4.271 -3.063 1.00 0.45 O ATOM 408 CB ILE A 24 -1.170 -3.942 -4.933 1.00 0.54 C ATOM 409 CG1 ILE A 24 -1.985 -2.998 -5.832 1.00 0.61 C ATOM 410 CG2 ILE A 24 -1.816 -5.334 -4.892 1.00 0.65 C ATOM 411 CD1 ILE A 24 -1.989 -3.393 -7.313 1.00 2.07 C ATOM 0 H ILE A 24 0.370 -2.006 -4.195 1.00 0.44 H new ATOM 0 HA ILE A 24 -2.053 -3.348 -3.075 1.00 0.49 H new ATOM 0 HB ILE A 24 -0.168 -4.044 -5.349 1.00 0.54 H new ATOM 0 HG12 ILE A 24 -3.013 -2.969 -5.472 1.00 0.61 H new ATOM 0 HG13 ILE A 24 -1.585 -1.988 -5.737 1.00 0.61 H new ATOM 0 HG21 ILE A 24 -1.889 -5.731 -5.904 1.00 0.65 H new ATOM 0 HG22 ILE A 24 -1.205 -6.001 -4.284 1.00 0.65 H new ATOM 0 HG23 ILE A 24 -2.813 -5.260 -4.459 1.00 0.65 H new ATOM 0 HD11 ILE A 24 -2.585 -2.677 -7.879 1.00 2.07 H new ATOM 0 HD12 ILE A 24 -0.967 -3.394 -7.692 1.00 2.07 H new ATOM 0 HD13 ILE A 24 -2.417 -4.389 -7.423 1.00 2.07 H new ATOM 423 N LEU A 25 -0.490 -4.679 -1.531 1.00 0.75 N ATOM 424 CA LEU A 25 0.304 -5.567 -0.704 1.00 0.77 C ATOM 425 C LEU A 25 -0.492 -6.825 -0.426 1.00 0.88 C ATOM 426 O LEU A 25 -1.287 -6.842 0.504 1.00 1.27 O ATOM 427 CB LEU A 25 0.668 -4.852 0.601 1.00 0.80 C ATOM 428 CG LEU A 25 1.882 -3.956 0.392 1.00 0.70 C ATOM 429 CD1 LEU A 25 2.117 -3.076 1.594 1.00 0.78 C ATOM 430 CD2 LEU A 25 3.119 -4.785 0.169 1.00 0.77 C ATOM 0 H LEU A 25 -1.417 -4.491 -1.150 1.00 0.75 H new ATOM 0 HA LEU A 25 1.226 -5.841 -1.217 1.00 0.77 H new ATOM 0 HB2 LEU A 25 -0.177 -4.256 0.945 1.00 0.80 H new ATOM 0 HB3 LEU A 25 0.879 -5.586 1.379 1.00 0.80 H new ATOM 0 HG LEU A 25 1.681 -3.338 -0.483 1.00 0.70 H new ATOM 0 HD11 LEU A 25 2.989 -2.446 1.419 1.00 0.78 H new ATOM 0 HD12 LEU A 25 1.243 -2.447 1.761 1.00 0.78 H new ATOM 0 HD13 LEU A 25 2.289 -3.698 2.472 1.00 0.78 H new ATOM 0 HD21 LEU A 25 3.976 -4.128 0.022 1.00 0.77 H new ATOM 0 HD22 LEU A 25 3.293 -5.419 1.038 1.00 0.77 H new ATOM 0 HD23 LEU A 25 2.984 -5.409 -0.714 1.00 0.77 H new ATOM 442 N HIS A 26 -0.267 -7.873 -1.224 1.00 0.78 N ATOM 443 CA HIS A 26 -0.984 -9.143 -1.140 1.00 0.88 C ATOM 444 C HIS A 26 -2.470 -8.972 -1.427 1.00 0.83 C ATOM 445 O HIS A 26 -3.270 -9.059 -0.504 1.00 1.31 O ATOM 446 CB HIS A 26 -0.789 -9.842 0.220 1.00 1.05 C ATOM 447 CG HIS A 26 0.574 -10.434 0.400 1.00 1.87 C ATOM 448 ND1 HIS A 26 0.918 -11.740 0.129 1.00 2.67 N ATOM 449 CD2 HIS A 26 1.684 -9.785 0.857 1.00 2.40 C ATOM 450 CE1 HIS A 26 2.229 -11.868 0.398 1.00 3.48 C ATOM 451 NE2 HIS A 26 2.732 -10.702 0.823 1.00 3.37 N ATOM 0 H HIS A 26 0.436 -7.859 -1.963 1.00 0.78 H new ATOM 0 HA HIS A 26 -0.551 -9.782 -1.910 1.00 0.88 H new ATOM 0 HB2 HIS A 26 -0.972 -9.123 1.018 1.00 1.05 H new ATOM 0 HB3 HIS A 26 -1.535 -10.630 0.324 1.00 1.05 H new ATOM 0 HD1 HIS A 26 0.295 -12.472 -0.212 1.00 2.67 H new ATOM 0 HD2 HIS A 26 1.739 -8.757 1.183 1.00 2.40 H new ATOM 0 HE1 HIS A 26 2.796 -12.781 0.287 1.00 3.48 H new ATOM 459 N HIS A 27 -2.863 -8.866 -2.708 1.00 0.78 N ATOM 460 CA HIS A 27 -4.256 -8.694 -3.146 1.00 0.77 C ATOM 461 C HIS A 27 -5.115 -7.849 -2.197 1.00 0.66 C ATOM 462 O HIS A 27 -6.329 -8.018 -2.085 1.00 0.83 O ATOM 463 CB HIS A 27 -4.878 -10.088 -3.379 1.00 0.90 C ATOM 464 CG HIS A 27 -4.589 -11.138 -2.329 1.00 1.47 C ATOM 465 ND1 HIS A 27 -5.420 -11.517 -1.297 1.00 2.71 N ATOM 466 CD2 HIS A 27 -3.459 -11.906 -2.252 1.00 2.25 C ATOM 467 CE1 HIS A 27 -4.792 -12.495 -0.616 1.00 3.14 C ATOM 468 NE2 HIS A 27 -3.593 -12.764 -1.160 1.00 2.82 N ATOM 0 H HIS A 27 -2.203 -8.899 -3.485 1.00 0.78 H new ATOM 0 HA HIS A 27 -4.237 -8.125 -4.075 1.00 0.77 H new ATOM 0 HB2 HIS A 27 -5.959 -9.971 -3.457 1.00 0.90 H new ATOM 0 HB3 HIS A 27 -4.528 -10.462 -4.341 1.00 0.90 H new ATOM 0 HD2 HIS A 27 -2.612 -11.857 -2.920 1.00 2.25 H new ATOM 0 HE1 HIS A 27 -5.198 -12.996 0.251 1.00 3.14 H new ATOM 0 HE2 HIS A 27 -2.917 -13.457 -0.839 1.00 2.82 H new ATOM 476 N LYS A 28 -4.480 -6.858 -1.582 1.00 0.55 N ATOM 477 CA LYS A 28 -5.073 -5.956 -0.628 1.00 0.47 C ATOM 478 C LYS A 28 -4.586 -4.574 -1.002 1.00 0.43 C ATOM 479 O LYS A 28 -3.493 -4.439 -1.552 1.00 0.50 O ATOM 480 CB LYS A 28 -4.614 -6.326 0.777 1.00 0.64 C ATOM 481 CG LYS A 28 -5.253 -7.611 1.317 1.00 1.13 C ATOM 482 CD LYS A 28 -4.346 -8.269 2.357 1.00 1.60 C ATOM 483 CE LYS A 28 -5.206 -8.989 3.396 1.00 1.75 C ATOM 484 NZ LYS A 28 -4.442 -9.255 4.633 1.00 2.83 N ATOM 0 H LYS A 28 -3.493 -6.661 -1.749 1.00 0.55 H new ATOM 0 HA LYS A 28 -6.162 -6.003 -0.641 1.00 0.47 H new ATOM 0 HB2 LYS A 28 -3.530 -6.442 0.777 1.00 0.64 H new ATOM 0 HB3 LYS A 28 -4.846 -5.504 1.454 1.00 0.64 H new ATOM 0 HG2 LYS A 28 -6.221 -7.382 1.764 1.00 1.13 H new ATOM 0 HG3 LYS A 28 -5.437 -8.305 0.496 1.00 1.13 H new ATOM 0 HD2 LYS A 28 -3.672 -8.976 1.873 1.00 1.60 H new ATOM 0 HD3 LYS A 28 -3.724 -7.517 2.842 1.00 1.60 H new ATOM 0 HE2 LYS A 28 -6.081 -8.383 3.630 1.00 1.75 H new ATOM 0 HE3 LYS A 28 -5.570 -9.929 2.982 1.00 1.75 H new ATOM 0 HZ1 LYS A 28 -5.052 -9.744 5.319 1.00 2.83 H new ATOM 0 HZ2 LYS A 28 -3.620 -9.853 4.412 1.00 2.83 H new ATOM 0 HZ3 LYS A 28 -4.116 -8.355 5.040 1.00 2.83 H new ATOM 498 N VAL A 29 -5.381 -3.557 -0.710 1.00 0.39 N ATOM 499 CA VAL A 29 -5.126 -2.209 -1.105 1.00 0.38 C ATOM 500 C VAL A 29 -4.750 -1.517 0.185 1.00 0.43 C ATOM 501 O VAL A 29 -5.505 -1.570 1.157 1.00 0.53 O ATOM 502 CB VAL A 29 -6.432 -1.637 -1.623 1.00 0.35 C ATOM 503 CG1 VAL A 29 -6.223 -0.194 -2.003 1.00 0.69 C ATOM 504 CG2 VAL A 29 -7.102 -2.395 -2.756 1.00 0.82 C ATOM 0 H VAL A 29 -6.243 -3.665 -0.175 1.00 0.39 H new ATOM 0 HA VAL A 29 -4.358 -2.103 -1.871 1.00 0.38 H new ATOM 0 HB VAL A 29 -7.135 -1.740 -0.796 1.00 0.35 H new ATOM 0 HG11 VAL A 29 -7.158 0.223 -2.376 1.00 0.69 H new ATOM 0 HG12 VAL A 29 -5.898 0.369 -1.128 1.00 0.69 H new ATOM 0 HG13 VAL A 29 -5.461 -0.129 -2.780 1.00 0.69 H new ATOM 0 HG21 VAL A 29 -8.025 -1.888 -3.037 1.00 0.82 H new ATOM 0 HG22 VAL A 29 -6.432 -2.432 -3.615 1.00 0.82 H new ATOM 0 HG23 VAL A 29 -7.330 -3.410 -2.430 1.00 0.82 H new ATOM 514 N TYR A 30 -3.574 -0.924 0.221 1.00 0.45 N ATOM 515 CA TYR A 30 -3.031 -0.299 1.392 1.00 0.54 C ATOM 516 C TYR A 30 -2.913 1.187 1.092 1.00 0.48 C ATOM 517 O TYR A 30 -2.841 1.585 -0.072 1.00 0.45 O ATOM 518 CB TYR A 30 -1.665 -0.927 1.635 1.00 0.65 C ATOM 519 CG TYR A 30 -1.613 -2.208 2.446 1.00 0.68 C ATOM 520 CD1 TYR A 30 -2.555 -3.239 2.277 1.00 1.63 C ATOM 521 CD2 TYR A 30 -0.540 -2.398 3.331 1.00 2.09 C ATOM 522 CE1 TYR A 30 -2.434 -4.439 2.999 1.00 1.57 C ATOM 523 CE2 TYR A 30 -0.366 -3.627 3.985 1.00 2.28 C ATOM 524 CZ TYR A 30 -1.321 -4.649 3.836 1.00 1.04 C ATOM 525 OH TYR A 30 -1.161 -5.830 4.493 1.00 1.26 O ATOM 0 H TYR A 30 -2.959 -0.866 -0.591 1.00 0.45 H new ATOM 0 HA TYR A 30 -3.650 -0.433 2.279 1.00 0.54 H new ATOM 0 HB2 TYR A 30 -1.210 -1.125 0.665 1.00 0.65 H new ATOM 0 HB3 TYR A 30 -1.040 -0.187 2.135 1.00 0.65 H new ATOM 0 HD1 TYR A 30 -3.376 -3.108 1.588 1.00 1.63 H new ATOM 0 HD2 TYR A 30 0.157 -1.592 3.510 1.00 2.09 H new ATOM 0 HE1 TYR A 30 -3.195 -5.200 2.912 1.00 1.57 H new ATOM 0 HE2 TYR A 30 0.504 -3.789 4.605 1.00 2.28 H new ATOM 0 HH TYR A 30 -0.242 -5.897 4.826 1.00 1.26 H new ATOM 535 N ASP A 31 -2.846 1.988 2.147 1.00 0.57 N ATOM 536 CA ASP A 31 -2.806 3.432 2.111 1.00 0.51 C ATOM 537 C ASP A 31 -1.756 3.861 3.114 1.00 0.54 C ATOM 538 O ASP A 31 -1.898 3.616 4.311 1.00 0.84 O ATOM 539 CB ASP A 31 -4.181 3.994 2.477 1.00 0.70 C ATOM 540 CG ASP A 31 -4.241 5.513 2.373 1.00 0.75 C ATOM 541 OD1 ASP A 31 -3.172 6.150 2.455 1.00 1.68 O ATOM 542 OD2 ASP A 31 -5.344 6.043 2.119 1.00 1.74 O ATOM 0 H ASP A 31 -2.817 1.622 3.099 1.00 0.57 H new ATOM 0 HA ASP A 31 -2.556 3.806 1.118 1.00 0.51 H new ATOM 0 HB2 ASP A 31 -4.934 3.559 1.820 1.00 0.70 H new ATOM 0 HB3 ASP A 31 -4.433 3.693 3.494 1.00 0.70 H new ATOM 547 N LEU A 32 -0.673 4.449 2.612 1.00 0.33 N ATOM 548 CA LEU A 32 0.408 4.948 3.436 1.00 0.39 C ATOM 549 C LEU A 32 0.515 6.459 3.287 1.00 0.30 C ATOM 550 O LEU A 32 1.526 7.026 3.670 1.00 0.38 O ATOM 551 CB LEU A 32 1.749 4.280 3.099 1.00 0.57 C ATOM 552 CG LEU A 32 1.682 2.875 2.500 1.00 0.50 C ATOM 553 CD1 LEU A 32 3.112 2.345 2.403 1.00 0.66 C ATOM 554 CD2 LEU A 32 0.851 1.907 3.334 1.00 0.63 C ATOM 0 H LEU A 32 -0.526 4.590 1.613 1.00 0.33 H new ATOM 0 HA LEU A 32 0.178 4.699 4.472 1.00 0.39 H new ATOM 0 HB2 LEU A 32 2.284 4.923 2.400 1.00 0.57 H new ATOM 0 HB3 LEU A 32 2.345 4.234 4.010 1.00 0.57 H new ATOM 0 HG LEU A 32 1.199 2.945 1.526 1.00 0.50 H new ATOM 0 HD11 LEU A 32 3.100 1.341 1.978 1.00 0.66 H new ATOM 0 HD12 LEU A 32 3.701 3.003 1.764 1.00 0.66 H new ATOM 0 HD13 LEU A 32 3.556 2.313 3.398 1.00 0.66 H new ATOM 0 HD21 LEU A 32 0.843 0.928 2.855 1.00 0.63 H new ATOM 0 HD22 LEU A 32 1.285 1.820 4.330 1.00 0.63 H new ATOM 0 HD23 LEU A 32 -0.170 2.280 3.414 1.00 0.63 H new ATOM 566 N THR A 33 -0.492 7.135 2.743 1.00 0.27 N ATOM 567 CA THR A 33 -0.520 8.568 2.546 1.00 0.29 C ATOM 568 C THR A 33 -0.217 9.308 3.847 1.00 0.30 C ATOM 569 O THR A 33 0.706 10.114 3.922 1.00 0.38 O ATOM 570 CB THR A 33 -1.939 8.912 2.074 1.00 0.54 C ATOM 571 OG1 THR A 33 -2.284 8.221 0.906 1.00 1.70 O ATOM 572 CG2 THR A 33 -2.141 10.400 1.912 1.00 0.77 C ATOM 0 H THR A 33 -1.342 6.675 2.417 1.00 0.27 H new ATOM 0 HA THR A 33 0.235 8.869 1.819 1.00 0.29 H new ATOM 0 HB THR A 33 -2.616 8.580 2.861 1.00 0.54 H new ATOM 0 HG1 THR A 33 -2.697 7.364 1.143 1.00 1.70 H new ATOM 0 HG21 THR A 33 -3.160 10.595 1.577 1.00 0.77 H new ATOM 0 HG22 THR A 33 -1.973 10.896 2.868 1.00 0.77 H new ATOM 0 HG23 THR A 33 -1.437 10.785 1.175 1.00 0.77 H new ATOM 580 N LYS A 34 -0.980 9.018 4.905 1.00 0.36 N ATOM 581 CA LYS A 34 -0.777 9.638 6.213 1.00 0.43 C ATOM 582 C LYS A 34 0.465 9.078 6.909 1.00 0.34 C ATOM 583 O LYS A 34 0.820 9.530 7.990 1.00 0.42 O ATOM 584 CB LYS A 34 -2.042 9.434 7.059 1.00 0.61 C ATOM 585 CG LYS A 34 -2.065 10.245 8.367 1.00 1.29 C ATOM 586 CD LYS A 34 -1.977 9.367 9.624 1.00 1.59 C ATOM 587 CE LYS A 34 -2.661 10.092 10.785 1.00 2.38 C ATOM 588 NZ LYS A 34 -2.249 9.534 12.090 1.00 3.09 N ATOM 0 H LYS A 34 -1.751 8.351 4.877 1.00 0.36 H new ATOM 0 HA LYS A 34 -0.602 10.706 6.084 1.00 0.43 H new ATOM 0 HB2 LYS A 34 -2.912 9.705 6.462 1.00 0.61 H new ATOM 0 HB3 LYS A 34 -2.138 8.375 7.300 1.00 0.61 H new ATOM 0 HG2 LYS A 34 -1.233 10.950 8.365 1.00 1.29 H new ATOM 0 HG3 LYS A 34 -2.982 10.834 8.406 1.00 1.29 H new ATOM 0 HD2 LYS A 34 -2.457 8.405 9.446 1.00 1.59 H new ATOM 0 HD3 LYS A 34 -0.935 9.163 9.869 1.00 1.59 H new ATOM 0 HE2 LYS A 34 -2.415 11.153 10.748 1.00 2.38 H new ATOM 0 HE3 LYS A 34 -3.743 10.011 10.679 1.00 2.38 H new ATOM 0 HZ1 LYS A 34 -2.731 10.048 12.855 1.00 3.09 H new ATOM 0 HZ2 LYS A 34 -2.506 8.527 12.134 1.00 3.09 H new ATOM 0 HZ3 LYS A 34 -1.220 9.634 12.201 1.00 3.09 H new ATOM 602 N PHE A 35 1.125 8.095 6.301 1.00 0.26 N ATOM 603 CA PHE A 35 2.301 7.440 6.831 1.00 0.32 C ATOM 604 C PHE A 35 3.537 7.797 6.014 1.00 0.36 C ATOM 605 O PHE A 35 4.635 7.442 6.406 1.00 0.46 O ATOM 606 CB PHE A 35 2.053 5.941 6.817 1.00 0.36 C ATOM 607 CG PHE A 35 3.056 5.101 7.588 1.00 0.42 C ATOM 608 CD1 PHE A 35 3.356 5.316 8.946 1.00 1.55 C ATOM 609 CD2 PHE A 35 3.700 4.062 6.910 1.00 1.28 C ATOM 610 CE1 PHE A 35 4.333 4.522 9.585 1.00 1.60 C ATOM 611 CE2 PHE A 35 4.617 3.227 7.553 1.00 1.27 C ATOM 612 CZ PHE A 35 4.979 3.483 8.883 1.00 0.56 C ATOM 0 H PHE A 35 0.839 7.725 5.394 1.00 0.26 H new ATOM 0 HA PHE A 35 2.486 7.775 7.852 1.00 0.32 H new ATOM 0 HB2 PHE A 35 1.060 5.752 7.224 1.00 0.36 H new ATOM 0 HB3 PHE A 35 2.043 5.602 5.781 1.00 0.36 H new ATOM 0 HD1 PHE A 35 2.840 6.087 9.498 1.00 1.55 H new ATOM 0 HD2 PHE A 35 3.484 3.901 5.864 1.00 1.28 H new ATOM 0 HE1 PHE A 35 4.587 4.711 10.617 1.00 1.60 H new ATOM 0 HE2 PHE A 35 5.046 2.387 7.027 1.00 1.27 H new ATOM 0 HZ PHE A 35 5.744 2.892 9.365 1.00 0.56 H new ATOM 622 N LEU A 36 3.390 8.510 4.899 1.00 0.36 N ATOM 623 CA LEU A 36 4.508 9.022 4.111 1.00 0.51 C ATOM 624 C LEU A 36 5.458 9.781 4.999 1.00 0.67 C ATOM 625 O LEU A 36 6.580 9.342 5.232 1.00 0.76 O ATOM 626 CB LEU A 36 3.981 9.898 2.953 1.00 0.52 C ATOM 627 CG LEU A 36 3.484 9.164 1.704 1.00 0.54 C ATOM 628 CD1 LEU A 36 3.126 10.191 0.630 1.00 1.13 C ATOM 629 CD2 LEU A 36 4.537 8.223 1.144 1.00 0.66 C ATOM 0 H LEU A 36 2.477 8.751 4.513 1.00 0.36 H new ATOM 0 HA LEU A 36 5.058 8.189 3.672 1.00 0.51 H new ATOM 0 HB2 LEU A 36 3.164 10.511 3.335 1.00 0.52 H new ATOM 0 HB3 LEU A 36 4.777 10.579 2.653 1.00 0.52 H new ATOM 0 HG LEU A 36 2.613 8.573 1.988 1.00 0.54 H new ATOM 0 HD11 LEU A 36 2.771 9.676 -0.262 1.00 1.13 H new ATOM 0 HD12 LEU A 36 2.343 10.850 1.004 1.00 1.13 H new ATOM 0 HD13 LEU A 36 4.009 10.781 0.382 1.00 1.13 H new ATOM 0 HD21 LEU A 36 4.144 7.722 0.259 1.00 0.66 H new ATOM 0 HD22 LEU A 36 5.427 8.792 0.874 1.00 0.66 H new ATOM 0 HD23 LEU A 36 4.797 7.479 1.897 1.00 0.66 H new ATOM 641 N GLU A 37 4.989 10.873 5.575 1.00 0.81 N ATOM 642 CA GLU A 37 5.831 11.664 6.448 1.00 0.99 C ATOM 643 C GLU A 37 5.840 11.077 7.874 1.00 1.00 C ATOM 644 O GLU A 37 6.158 11.777 8.831 1.00 1.36 O ATOM 645 CB GLU A 37 5.356 13.121 6.380 1.00 1.15 C ATOM 646 CG GLU A 37 5.608 13.709 4.982 1.00 1.53 C ATOM 647 CD GLU A 37 5.018 15.119 4.865 1.00 2.26 C ATOM 648 OE1 GLU A 37 5.581 16.035 5.504 1.00 2.60 O ATOM 649 OE2 GLU A 37 3.977 15.263 4.178 1.00 3.58 O ATOM 0 H GLU A 37 4.040 11.228 5.455 1.00 0.81 H new ATOM 0 HA GLU A 37 6.871 11.637 6.122 1.00 0.99 H new ATOM 0 HB2 GLU A 37 4.293 13.174 6.616 1.00 1.15 H new ATOM 0 HB3 GLU A 37 5.879 13.715 7.130 1.00 1.15 H new ATOM 0 HG2 GLU A 37 6.680 13.742 4.785 1.00 1.53 H new ATOM 0 HG3 GLU A 37 5.165 13.061 4.226 1.00 1.53 H new ATOM 656 N GLU A 38 5.480 9.797 8.039 1.00 0.75 N ATOM 657 CA GLU A 38 5.437 9.102 9.322 1.00 0.78 C ATOM 658 C GLU A 38 6.113 7.709 9.262 1.00 0.73 C ATOM 659 O GLU A 38 6.135 7.019 10.280 1.00 0.82 O ATOM 660 CB GLU A 38 3.971 9.019 9.819 1.00 0.92 C ATOM 661 CG GLU A 38 3.623 9.957 10.989 1.00 1.30 C ATOM 662 CD GLU A 38 2.417 9.440 11.803 1.00 1.41 C ATOM 663 OE1 GLU A 38 2.608 8.434 12.520 1.00 1.99 O ATOM 664 OE2 GLU A 38 1.310 10.036 11.727 1.00 2.40 O ATOM 0 H GLU A 38 5.203 9.204 7.257 1.00 0.75 H new ATOM 0 HA GLU A 38 6.017 9.678 10.043 1.00 0.78 H new ATOM 0 HB2 GLU A 38 3.308 9.244 8.984 1.00 0.92 H new ATOM 0 HB3 GLU A 38 3.764 7.993 10.123 1.00 0.92 H new ATOM 0 HG2 GLU A 38 4.488 10.056 11.645 1.00 1.30 H new ATOM 0 HG3 GLU A 38 3.401 10.952 10.603 1.00 1.30 H new ATOM 671 N HIS A 39 6.674 7.274 8.118 1.00 0.68 N ATOM 672 CA HIS A 39 7.262 5.944 7.946 1.00 0.65 C ATOM 673 C HIS A 39 8.716 5.978 8.404 1.00 0.65 C ATOM 674 O HIS A 39 9.504 6.728 7.831 1.00 0.90 O ATOM 675 CB HIS A 39 7.121 5.455 6.495 1.00 0.66 C ATOM 676 CG HIS A 39 7.796 4.145 6.109 1.00 0.53 C ATOM 677 ND1 HIS A 39 8.511 3.969 4.953 1.00 0.65 N ATOM 678 CD2 HIS A 39 7.664 2.900 6.677 1.00 0.55 C ATOM 679 CE1 HIS A 39 8.800 2.675 4.809 1.00 0.66 C ATOM 680 NE2 HIS A 39 8.263 1.972 5.811 1.00 0.50 N ATOM 0 H HIS A 39 6.729 7.850 7.278 1.00 0.68 H new ATOM 0 HA HIS A 39 6.722 5.226 8.563 1.00 0.65 H new ATOM 0 HB2 HIS A 39 6.057 5.358 6.278 1.00 0.66 H new ATOM 0 HB3 HIS A 39 7.510 6.236 5.841 1.00 0.66 H new ATOM 0 HD1 HIS A 39 8.779 4.710 4.306 1.00 0.65 H new ATOM 0 HD2 HIS A 39 7.186 2.676 7.619 1.00 0.55 H new ATOM 0 HE1 HIS A 39 9.382 2.257 4.001 1.00 0.66 H new ATOM 688 N PRO A 40 9.081 5.201 9.436 1.00 0.76 N ATOM 689 CA PRO A 40 10.435 5.138 9.951 1.00 0.73 C ATOM 690 C PRO A 40 11.326 4.380 8.967 1.00 0.94 C ATOM 691 O PRO A 40 11.556 3.183 9.106 1.00 1.81 O ATOM 692 CB PRO A 40 10.332 4.464 11.322 1.00 1.12 C ATOM 693 CG PRO A 40 9.026 3.676 11.284 1.00 1.54 C ATOM 694 CD PRO A 40 8.209 4.290 10.154 1.00 1.25 C ATOM 0 HA PRO A 40 10.895 6.120 10.065 1.00 0.73 H new ATOM 0 HB2 PRO A 40 11.183 3.807 11.503 1.00 1.12 H new ATOM 0 HB3 PRO A 40 10.323 5.202 12.124 1.00 1.12 H new ATOM 0 HG2 PRO A 40 9.212 2.617 11.103 1.00 1.54 H new ATOM 0 HG3 PRO A 40 8.497 3.748 12.234 1.00 1.54 H new ATOM 0 HD2 PRO A 40 7.831 3.514 9.488 1.00 1.25 H new ATOM 0 HD3 PRO A 40 7.343 4.820 10.550 1.00 1.25 H new ATOM 702 N GLY A 41 11.832 5.085 7.956 1.00 0.61 N ATOM 703 CA GLY A 41 12.709 4.503 6.962 1.00 0.99 C ATOM 704 C GLY A 41 12.800 5.414 5.753 1.00 0.55 C ATOM 705 O GLY A 41 13.848 5.992 5.486 1.00 0.71 O ATOM 0 H GLY A 41 11.640 6.076 7.810 1.00 0.61 H new ATOM 0 HA2 GLY A 41 13.701 4.348 7.386 1.00 0.99 H new ATOM 0 HA3 GLY A 41 12.334 3.524 6.663 1.00 0.99 H new ATOM 709 N GLY A 42 11.700 5.547 5.017 1.00 0.52 N ATOM 710 CA GLY A 42 11.662 6.408 3.856 1.00 0.75 C ATOM 711 C GLY A 42 10.247 6.890 3.597 1.00 0.65 C ATOM 712 O GLY A 42 9.305 6.489 4.259 1.00 1.11 O ATOM 0 H GLY A 42 10.823 5.064 5.212 1.00 0.52 H new ATOM 0 HA2 GLY A 42 12.321 7.263 4.008 1.00 0.75 H new ATOM 0 HA3 GLY A 42 12.034 5.870 2.984 1.00 0.75 H new ATOM 716 N GLU A 43 10.102 7.716 2.582 1.00 0.68 N ATOM 717 CA GLU A 43 8.821 8.131 2.029 1.00 0.59 C ATOM 718 C GLU A 43 8.797 7.965 0.506 1.00 0.61 C ATOM 719 O GLU A 43 7.772 7.585 -0.056 1.00 0.60 O ATOM 720 CB GLU A 43 8.541 9.574 2.434 1.00 0.63 C ATOM 721 CG GLU A 43 9.670 10.531 2.043 1.00 1.12 C ATOM 722 CD GLU A 43 9.289 11.986 2.290 1.00 1.95 C ATOM 723 OE1 GLU A 43 8.537 12.233 3.257 1.00 2.91 O ATOM 724 OE2 GLU A 43 9.763 12.831 1.499 1.00 3.00 O ATOM 0 H GLU A 43 10.898 8.134 2.100 1.00 0.68 H new ATOM 0 HA GLU A 43 8.035 7.492 2.431 1.00 0.59 H new ATOM 0 HB2 GLU A 43 7.613 9.904 1.967 1.00 0.63 H new ATOM 0 HB3 GLU A 43 8.389 9.621 3.512 1.00 0.63 H new ATOM 0 HG2 GLU A 43 10.566 10.288 2.613 1.00 1.12 H new ATOM 0 HG3 GLU A 43 9.915 10.393 0.990 1.00 1.12 H new ATOM 731 N GLU A 44 9.913 8.215 -0.191 1.00 0.66 N ATOM 732 CA GLU A 44 9.866 8.153 -1.659 1.00 0.66 C ATOM 733 C GLU A 44 9.747 6.724 -2.146 1.00 0.64 C ATOM 734 O GLU A 44 9.024 6.467 -3.107 1.00 0.60 O ATOM 735 CB GLU A 44 11.072 8.798 -2.331 1.00 0.83 C ATOM 736 CG GLU A 44 10.920 8.637 -3.857 1.00 1.60 C ATOM 737 CD GLU A 44 11.867 9.509 -4.669 1.00 2.49 C ATOM 738 OE1 GLU A 44 13.045 9.618 -4.266 1.00 3.15 O ATOM 739 OE2 GLU A 44 11.383 10.032 -5.700 1.00 3.57 O ATOM 0 H GLU A 44 10.820 8.451 0.212 1.00 0.66 H new ATOM 0 HA GLU A 44 8.980 8.722 -1.940 1.00 0.66 H new ATOM 0 HB2 GLU A 44 11.136 9.853 -2.065 1.00 0.83 H new ATOM 0 HB3 GLU A 44 11.994 8.327 -1.990 1.00 0.83 H new ATOM 0 HG2 GLU A 44 11.088 7.593 -4.120 1.00 1.60 H new ATOM 0 HG3 GLU A 44 9.894 8.875 -4.137 1.00 1.60 H new ATOM 746 N VAL A 45 10.369 5.779 -1.436 1.00 0.70 N ATOM 747 CA VAL A 45 10.106 4.369 -1.719 1.00 0.66 C ATOM 748 C VAL A 45 8.612 4.058 -1.768 1.00 0.63 C ATOM 749 O VAL A 45 8.190 3.113 -2.432 1.00 0.53 O ATOM 750 CB VAL A 45 10.753 3.500 -0.639 1.00 0.67 C ATOM 751 CG1 VAL A 45 12.243 3.342 -0.928 1.00 1.09 C ATOM 752 CG2 VAL A 45 10.534 4.061 0.775 1.00 1.08 C ATOM 0 H VAL A 45 11.036 5.956 -0.685 1.00 0.70 H new ATOM 0 HA VAL A 45 10.530 4.151 -2.699 1.00 0.66 H new ATOM 0 HB VAL A 45 10.269 2.524 -0.668 1.00 0.67 H new ATOM 0 HG11 VAL A 45 12.700 2.722 -0.156 1.00 1.09 H new ATOM 0 HG12 VAL A 45 12.377 2.868 -1.900 1.00 1.09 H new ATOM 0 HG13 VAL A 45 12.718 4.323 -0.934 1.00 1.09 H new ATOM 0 HG21 VAL A 45 11.013 3.407 1.504 1.00 1.08 H new ATOM 0 HG22 VAL A 45 10.968 5.059 0.842 1.00 1.08 H new ATOM 0 HG23 VAL A 45 9.465 4.116 0.983 1.00 1.08 H new ATOM 762 N LEU A 46 7.802 4.863 -1.080 1.00 0.75 N ATOM 763 CA LEU A 46 6.377 4.500 -1.014 1.00 0.62 C ATOM 764 C LEU A 46 5.687 4.945 -2.302 1.00 0.54 C ATOM 765 O LEU A 46 4.712 4.343 -2.748 1.00 0.51 O ATOM 766 CB LEU A 46 5.708 5.116 0.218 1.00 0.68 C ATOM 767 CG LEU A 46 6.453 4.870 1.542 1.00 0.74 C ATOM 768 CD1 LEU A 46 5.552 5.105 2.766 1.00 0.86 C ATOM 769 CD2 LEU A 46 7.039 3.466 1.657 1.00 0.71 C ATOM 0 H LEU A 46 8.076 5.715 -0.590 1.00 0.75 H new ATOM 0 HA LEU A 46 6.286 3.418 -0.918 1.00 0.62 H new ATOM 0 HB2 LEU A 46 5.613 6.191 0.064 1.00 0.68 H new ATOM 0 HB3 LEU A 46 4.698 4.716 0.305 1.00 0.68 H new ATOM 0 HG LEU A 46 7.269 5.593 1.529 1.00 0.74 H new ATOM 0 HD11 LEU A 46 6.121 4.919 3.677 1.00 0.86 H new ATOM 0 HD12 LEU A 46 5.196 6.135 2.764 1.00 0.86 H new ATOM 0 HD13 LEU A 46 4.700 4.427 2.726 1.00 0.86 H new ATOM 0 HD21 LEU A 46 7.550 3.362 2.614 1.00 0.71 H new ATOM 0 HD22 LEU A 46 6.237 2.731 1.592 1.00 0.71 H new ATOM 0 HD23 LEU A 46 7.749 3.301 0.847 1.00 0.71 H new ATOM 781 N ARG A 47 6.233 5.982 -2.936 1.00 0.57 N ATOM 782 CA ARG A 47 5.759 6.497 -4.203 1.00 0.56 C ATOM 783 C ARG A 47 6.332 5.701 -5.370 1.00 0.54 C ATOM 784 O ARG A 47 5.683 5.599 -6.406 1.00 0.53 O ATOM 785 CB ARG A 47 6.151 7.970 -4.300 1.00 0.60 C ATOM 786 CG ARG A 47 5.400 8.676 -5.434 1.00 1.31 C ATOM 787 CD ARG A 47 6.064 10.019 -5.752 1.00 1.54 C ATOM 788 NE ARG A 47 6.460 10.087 -7.166 1.00 2.54 N ATOM 789 CZ ARG A 47 7.569 9.551 -7.701 1.00 3.37 C ATOM 790 NH1 ARG A 47 8.481 8.950 -6.935 1.00 3.80 N ATOM 791 NH2 ARG A 47 7.758 9.622 -9.020 1.00 4.49 N ATOM 0 H ARG A 47 7.035 6.493 -2.568 1.00 0.57 H new ATOM 0 HA ARG A 47 4.675 6.399 -4.255 1.00 0.56 H new ATOM 0 HB2 ARG A 47 5.936 8.468 -3.354 1.00 0.60 H new ATOM 0 HB3 ARG A 47 7.225 8.052 -4.467 1.00 0.60 H new ATOM 0 HG2 ARG A 47 5.393 8.046 -6.323 1.00 1.31 H new ATOM 0 HG3 ARG A 47 4.360 8.835 -5.148 1.00 1.31 H new ATOM 0 HD2 ARG A 47 5.376 10.833 -5.524 1.00 1.54 H new ATOM 0 HD3 ARG A 47 6.940 10.155 -5.118 1.00 1.54 H new ATOM 0 HE ARG A 47 5.835 10.587 -7.799 1.00 2.54 H new ATOM 0 HH11 ARG A 47 8.342 8.892 -5.926 1.00 3.80 H new ATOM 0 HH12 ARG A 47 9.318 8.548 -7.358 1.00 3.80 H new ATOM 0 HH21 ARG A 47 7.064 10.080 -9.611 1.00 4.49 H new ATOM 0 HH22 ARG A 47 8.597 9.218 -9.437 1.00 4.49 H new ATOM 805 N GLU A 48 7.511 5.093 -5.224 1.00 0.57 N ATOM 806 CA GLU A 48 8.110 4.314 -6.303 1.00 0.57 C ATOM 807 C GLU A 48 7.259 3.092 -6.650 1.00 0.55 C ATOM 808 O GLU A 48 7.376 2.548 -7.743 1.00 0.58 O ATOM 809 CB GLU A 48 9.533 3.880 -5.922 1.00 0.60 C ATOM 810 CG GLU A 48 10.591 4.765 -6.590 1.00 0.69 C ATOM 811 CD GLU A 48 11.936 4.041 -6.655 1.00 1.00 C ATOM 812 OE1 GLU A 48 12.154 3.341 -7.669 1.00 1.65 O ATOM 813 OE2 GLU A 48 12.716 4.182 -5.688 1.00 2.42 O ATOM 0 H GLU A 48 8.067 5.126 -4.370 1.00 0.57 H new ATOM 0 HA GLU A 48 8.157 4.951 -7.186 1.00 0.57 H new ATOM 0 HB2 GLU A 48 9.650 3.926 -4.839 1.00 0.60 H new ATOM 0 HB3 GLU A 48 9.688 2.842 -6.216 1.00 0.60 H new ATOM 0 HG2 GLU A 48 10.267 5.032 -7.596 1.00 0.69 H new ATOM 0 HG3 GLU A 48 10.699 5.695 -6.032 1.00 0.69 H new ATOM 820 N GLN A 49 6.375 2.682 -5.739 1.00 0.55 N ATOM 821 CA GLN A 49 5.473 1.556 -5.928 1.00 0.56 C ATOM 822 C GLN A 49 4.022 1.984 -5.718 1.00 0.50 C ATOM 823 O GLN A 49 3.132 1.147 -5.582 1.00 0.46 O ATOM 824 CB GLN A 49 5.856 0.482 -4.921 1.00 0.58 C ATOM 825 CG GLN A 49 7.274 -0.053 -5.144 1.00 0.70 C ATOM 826 CD GLN A 49 7.373 -0.978 -6.358 1.00 1.11 C ATOM 827 OE1 GLN A 49 6.473 -1.046 -7.188 1.00 1.84 O ATOM 828 NE2 GLN A 49 8.469 -1.719 -6.480 1.00 1.15 N ATOM 0 H GLN A 49 6.268 3.136 -4.832 1.00 0.55 H new ATOM 0 HA GLN A 49 5.559 1.175 -6.946 1.00 0.56 H new ATOM 0 HB2 GLN A 49 5.779 0.890 -3.913 1.00 0.58 H new ATOM 0 HB3 GLN A 49 5.146 -0.342 -4.986 1.00 0.58 H new ATOM 0 HG2 GLN A 49 7.958 0.786 -5.275 1.00 0.70 H new ATOM 0 HG3 GLN A 49 7.598 -0.593 -4.254 1.00 0.70 H new ATOM 0 HE21 GLN A 49 9.210 -1.652 -5.782 1.00 1.15 H new ATOM 0 HE22 GLN A 49 8.570 -2.354 -7.272 1.00 1.15 H new ATOM 837 N ALA A 50 3.785 3.291 -5.648 1.00 0.54 N ATOM 838 CA ALA A 50 2.458 3.842 -5.450 1.00 0.52 C ATOM 839 C ALA A 50 1.495 3.344 -6.523 1.00 0.47 C ATOM 840 O ALA A 50 1.806 3.359 -7.712 1.00 0.66 O ATOM 841 CB ALA A 50 2.478 5.367 -5.450 1.00 0.62 C ATOM 0 H ALA A 50 4.516 3.998 -5.728 1.00 0.54 H new ATOM 0 HA ALA A 50 2.113 3.501 -4.474 1.00 0.52 H new ATOM 0 HB1 ALA A 50 1.467 5.744 -5.299 1.00 0.62 H new ATOM 0 HB2 ALA A 50 3.122 5.722 -4.645 1.00 0.62 H new ATOM 0 HB3 ALA A 50 2.860 5.726 -6.406 1.00 0.62 H new ATOM 847 N GLY A 51 0.304 2.931 -6.091 1.00 0.34 N ATOM 848 CA GLY A 51 -0.721 2.344 -6.931 1.00 0.42 C ATOM 849 C GLY A 51 -0.186 1.133 -7.713 1.00 0.40 C ATOM 850 O GLY A 51 -0.723 0.796 -8.765 1.00 0.52 O ATOM 0 H GLY A 51 0.024 3.001 -5.113 1.00 0.34 H new ATOM 0 HA2 GLY A 51 -1.565 2.036 -6.314 1.00 0.42 H new ATOM 0 HA3 GLY A 51 -1.093 3.093 -7.629 1.00 0.42 H new ATOM 854 N GLY A 52 0.886 0.506 -7.216 1.00 0.41 N ATOM 855 CA GLY A 52 1.681 -0.516 -7.879 1.00 0.51 C ATOM 856 C GLY A 52 1.931 -1.676 -6.918 1.00 0.51 C ATOM 857 O GLY A 52 1.246 -1.792 -5.904 1.00 0.65 O ATOM 0 H GLY A 52 1.238 0.717 -6.282 1.00 0.41 H new ATOM 0 HA2 GLY A 52 1.163 -0.873 -8.769 1.00 0.51 H new ATOM 0 HA3 GLY A 52 2.630 -0.094 -8.210 1.00 0.51 H new ATOM 861 N ASP A 53 2.877 -2.561 -7.235 1.00 0.69 N ATOM 862 CA ASP A 53 3.105 -3.776 -6.457 1.00 0.68 C ATOM 863 C ASP A 53 4.245 -3.559 -5.460 1.00 0.53 C ATOM 864 O ASP A 53 5.413 -3.743 -5.793 1.00 0.66 O ATOM 865 CB ASP A 53 3.374 -4.971 -7.388 1.00 0.91 C ATOM 866 CG ASP A 53 2.274 -6.022 -7.253 1.00 1.50 C ATOM 867 OD1 ASP A 53 2.087 -6.496 -6.106 1.00 2.58 O ATOM 868 OD2 ASP A 53 1.626 -6.321 -8.280 1.00 2.82 O ATOM 0 H ASP A 53 3.503 -2.456 -8.034 1.00 0.69 H new ATOM 0 HA ASP A 53 2.206 -4.008 -5.885 1.00 0.68 H new ATOM 0 HB2 ASP A 53 3.430 -4.628 -8.421 1.00 0.91 H new ATOM 0 HB3 ASP A 53 4.340 -5.416 -7.147 1.00 0.91 H new ATOM 873 N ALA A 54 3.927 -3.170 -4.220 1.00 0.44 N ATOM 874 CA ALA A 54 4.940 -3.080 -3.171 1.00 0.39 C ATOM 875 C ALA A 54 5.065 -4.414 -2.400 1.00 0.49 C ATOM 876 O ALA A 54 5.808 -4.483 -1.423 1.00 0.70 O ATOM 877 CB ALA A 54 4.672 -1.849 -2.264 1.00 0.41 C ATOM 0 H ALA A 54 2.985 -2.915 -3.924 1.00 0.44 H new ATOM 0 HA ALA A 54 5.917 -2.916 -3.625 1.00 0.39 H new ATOM 0 HB1 ALA A 54 5.435 -1.796 -1.488 1.00 0.41 H new ATOM 0 HB2 ALA A 54 4.702 -0.940 -2.865 1.00 0.41 H new ATOM 0 HB3 ALA A 54 3.690 -1.945 -1.801 1.00 0.41 H new ATOM 883 N THR A 55 4.357 -5.480 -2.805 1.00 0.54 N ATOM 884 CA THR A 55 4.385 -6.800 -2.168 1.00 0.70 C ATOM 885 C THR A 55 5.805 -7.341 -2.031 1.00 0.58 C ATOM 886 O THR A 55 6.193 -7.772 -0.948 1.00 0.69 O ATOM 887 CB THR A 55 3.470 -7.764 -2.943 1.00 0.93 C ATOM 888 OG1 THR A 55 2.246 -7.145 -3.301 1.00 1.65 O ATOM 889 CG2 THR A 55 3.093 -8.926 -2.039 1.00 1.05 C ATOM 0 H THR A 55 3.731 -5.443 -3.610 1.00 0.54 H new ATOM 0 HA THR A 55 4.005 -6.703 -1.151 1.00 0.70 H new ATOM 0 HB THR A 55 4.014 -8.078 -3.834 1.00 0.93 H new ATOM 0 HG1 THR A 55 2.255 -6.932 -4.258 1.00 1.65 H new ATOM 0 HG21 THR A 55 2.444 -9.614 -2.582 1.00 1.05 H new ATOM 0 HG22 THR A 55 3.996 -9.450 -1.725 1.00 1.05 H new ATOM 0 HG23 THR A 55 2.568 -8.549 -1.161 1.00 1.05 H new ATOM 897 N GLU A 56 6.631 -7.240 -3.067 1.00 0.52 N ATOM 898 CA GLU A 56 8.016 -7.686 -2.969 1.00 0.70 C ATOM 899 C GLU A 56 8.906 -6.591 -2.371 1.00 0.65 C ATOM 900 O GLU A 56 10.088 -6.498 -2.679 1.00 1.53 O ATOM 901 CB GLU A 56 8.538 -8.104 -4.353 1.00 1.04 C ATOM 902 CG GLU A 56 8.519 -6.929 -5.349 1.00 1.78 C ATOM 903 CD GLU A 56 9.498 -7.133 -6.508 1.00 2.38 C ATOM 904 OE1 GLU A 56 10.716 -6.958 -6.283 1.00 3.33 O ATOM 905 OE2 GLU A 56 9.015 -7.437 -7.621 1.00 2.76 O ATOM 0 H GLU A 56 6.369 -6.857 -3.976 1.00 0.52 H new ATOM 0 HA GLU A 56 8.050 -8.549 -2.303 1.00 0.70 H new ATOM 0 HB2 GLU A 56 9.555 -8.484 -4.258 1.00 1.04 H new ATOM 0 HB3 GLU A 56 7.928 -8.920 -4.741 1.00 1.04 H new ATOM 0 HG2 GLU A 56 7.511 -6.808 -5.745 1.00 1.78 H new ATOM 0 HG3 GLU A 56 8.768 -6.007 -4.824 1.00 1.78 H new ATOM 912 N ASN A 57 8.343 -5.717 -1.544 1.00 1.00 N ATOM 913 CA ASN A 57 9.089 -4.698 -0.838 1.00 0.98 C ATOM 914 C ASN A 57 8.800 -4.897 0.630 1.00 1.04 C ATOM 915 O ASN A 57 9.677 -5.340 1.363 1.00 1.05 O ATOM 916 CB ASN A 57 8.690 -3.301 -1.324 1.00 0.96 C ATOM 917 CG ASN A 57 9.863 -2.559 -1.933 1.00 1.07 C ATOM 918 OD1 ASN A 57 10.930 -2.465 -1.341 1.00 2.14 O ATOM 919 ND2 ASN A 57 9.667 -1.980 -3.109 1.00 1.90 N ATOM 0 H ASN A 57 7.342 -5.701 -1.347 1.00 1.00 H new ATOM 0 HA ASN A 57 10.160 -4.782 -1.023 1.00 0.98 H new ATOM 0 HB2 ASN A 57 7.892 -3.387 -2.062 1.00 0.96 H new ATOM 0 HB3 ASN A 57 8.291 -2.726 -0.488 1.00 0.96 H new ATOM 0 HD21 ASN A 57 10.416 -1.440 -3.543 1.00 1.90 H new ATOM 0 HD22 ASN A 57 8.767 -2.075 -3.580 1.00 1.90 H new ATOM 926 N PHE A 58 7.560 -4.639 1.060 1.00 1.10 N ATOM 927 CA PHE A 58 7.257 -4.842 2.483 1.00 1.17 C ATOM 928 C PHE A 58 7.510 -6.292 2.919 1.00 1.30 C ATOM 929 O PHE A 58 8.068 -6.523 3.994 1.00 1.16 O ATOM 930 CB PHE A 58 5.820 -4.411 2.773 1.00 1.52 C ATOM 931 CG PHE A 58 5.354 -4.685 4.187 1.00 1.47 C ATOM 932 CD1 PHE A 58 5.652 -3.786 5.225 1.00 3.02 C ATOM 933 CD2 PHE A 58 4.612 -5.846 4.459 1.00 1.62 C ATOM 934 CE1 PHE A 58 5.193 -4.032 6.529 1.00 3.06 C ATOM 935 CE2 PHE A 58 4.163 -6.101 5.765 1.00 1.72 C ATOM 936 CZ PHE A 58 4.456 -5.195 6.799 1.00 1.64 C ATOM 0 H PHE A 58 6.788 -4.308 0.482 1.00 1.10 H new ATOM 0 HA PHE A 58 7.933 -4.220 3.070 1.00 1.17 H new ATOM 0 HB2 PHE A 58 5.728 -3.343 2.574 1.00 1.52 H new ATOM 0 HB3 PHE A 58 5.154 -4.923 2.079 1.00 1.52 H new ATOM 0 HD1 PHE A 58 6.237 -2.902 5.019 1.00 3.02 H new ATOM 0 HD2 PHE A 58 4.387 -6.542 3.665 1.00 1.62 H new ATOM 0 HE1 PHE A 58 5.406 -3.329 7.321 1.00 3.06 H new ATOM 0 HE2 PHE A 58 3.592 -6.994 5.975 1.00 1.72 H new ATOM 0 HZ PHE A 58 4.113 -5.395 7.803 1.00 1.64 H new ATOM 946 N GLU A 59 7.119 -7.267 2.095 1.00 1.62 N ATOM 947 CA GLU A 59 7.192 -8.677 2.469 1.00 1.99 C ATOM 948 C GLU A 59 8.506 -9.312 2.028 1.00 1.98 C ATOM 949 O GLU A 59 8.943 -10.283 2.638 1.00 2.17 O ATOM 950 CB GLU A 59 5.987 -9.415 1.863 1.00 2.75 C ATOM 951 CG GLU A 59 4.960 -9.761 2.960 1.00 3.10 C ATOM 952 CD GLU A 59 5.016 -11.210 3.477 1.00 3.15 C ATOM 953 OE1 GLU A 59 5.399 -12.122 2.717 1.00 2.85 O ATOM 954 OE2 GLU A 59 4.636 -11.406 4.656 1.00 4.07 O ATOM 0 H GLU A 59 6.747 -7.102 1.160 1.00 1.62 H new ATOM 0 HA GLU A 59 7.159 -8.757 3.556 1.00 1.99 H new ATOM 0 HB2 GLU A 59 5.518 -8.793 1.100 1.00 2.75 H new ATOM 0 HB3 GLU A 59 6.322 -10.327 1.369 1.00 2.75 H new ATOM 0 HG2 GLU A 59 5.111 -9.086 3.802 1.00 3.10 H new ATOM 0 HG3 GLU A 59 3.960 -9.569 2.572 1.00 3.10 H new ATOM 961 N ASP A 60 9.164 -8.750 1.013 1.00 1.93 N ATOM 962 CA ASP A 60 10.455 -9.259 0.566 1.00 2.14 C ATOM 963 C ASP A 60 11.524 -8.924 1.593 1.00 1.84 C ATOM 964 O ASP A 60 12.232 -9.808 2.068 1.00 2.23 O ATOM 965 CB ASP A 60 10.835 -8.616 -0.760 1.00 2.24 C ATOM 966 CG ASP A 60 12.227 -9.055 -1.208 1.00 2.01 C ATOM 967 OD1 ASP A 60 12.306 -10.139 -1.828 1.00 2.77 O ATOM 968 OD2 ASP A 60 13.189 -8.315 -0.900 1.00 2.28 O ATOM 0 H ASP A 60 8.823 -7.945 0.488 1.00 1.93 H new ATOM 0 HA ASP A 60 10.381 -10.340 0.445 1.00 2.14 H new ATOM 0 HB2 ASP A 60 10.103 -8.886 -1.521 1.00 2.24 H new ATOM 0 HB3 ASP A 60 10.807 -7.531 -0.662 1.00 2.24 H new ATOM 973 N VAL A 61 11.627 -7.641 1.957 1.00 1.21 N ATOM 974 CA VAL A 61 12.655 -7.231 2.901 1.00 1.11 C ATOM 975 C VAL A 61 12.407 -7.905 4.245 1.00 0.83 C ATOM 976 O VAL A 61 13.357 -8.185 4.972 1.00 1.03 O ATOM 977 CB VAL A 61 12.716 -5.700 3.004 1.00 1.10 C ATOM 978 CG1 VAL A 61 11.535 -5.114 3.788 1.00 1.77 C ATOM 979 CG2 VAL A 61 14.023 -5.253 3.672 1.00 2.24 C ATOM 0 H VAL A 61 11.025 -6.890 1.619 1.00 1.21 H new ATOM 0 HA VAL A 61 13.634 -7.553 2.547 1.00 1.11 H new ATOM 0 HB VAL A 61 12.667 -5.324 1.982 1.00 1.10 H new ATOM 0 HG11 VAL A 61 11.629 -4.029 3.830 1.00 1.77 H new ATOM 0 HG12 VAL A 61 10.601 -5.379 3.292 1.00 1.77 H new ATOM 0 HG13 VAL A 61 11.534 -5.517 4.801 1.00 1.77 H new ATOM 0 HG21 VAL A 61 14.046 -4.165 3.735 1.00 2.24 H new ATOM 0 HG22 VAL A 61 14.082 -5.676 4.675 1.00 2.24 H new ATOM 0 HG23 VAL A 61 14.871 -5.600 3.081 1.00 2.24 H new ATOM 989 N GLY A 62 11.140 -8.203 4.562 1.00 0.65 N ATOM 990 CA GLY A 62 10.840 -8.967 5.757 1.00 0.76 C ATOM 991 C GLY A 62 10.882 -8.024 6.946 1.00 0.82 C ATOM 992 O GLY A 62 11.786 -8.093 7.774 1.00 1.96 O ATOM 0 H GLY A 62 10.326 -7.928 4.012 1.00 0.65 H new ATOM 0 HA2 GLY A 62 9.857 -9.431 5.675 1.00 0.76 H new ATOM 0 HA3 GLY A 62 11.563 -9.772 5.885 1.00 0.76 H new ATOM 996 N HIS A 63 9.905 -7.113 6.990 1.00 0.55 N ATOM 997 CA HIS A 63 9.844 -6.009 7.933 1.00 0.69 C ATOM 998 C HIS A 63 9.965 -6.469 9.389 1.00 1.16 C ATOM 999 O HIS A 63 11.033 -6.345 9.984 1.00 2.97 O ATOM 1000 CB HIS A 63 8.543 -5.222 7.702 1.00 0.91 C ATOM 1001 CG HIS A 63 8.672 -4.029 6.804 1.00 0.74 C ATOM 1002 ND1 HIS A 63 9.068 -4.032 5.493 1.00 0.75 N ATOM 1003 CD2 HIS A 63 8.379 -2.744 7.166 1.00 0.66 C ATOM 1004 CE1 HIS A 63 9.037 -2.757 5.065 1.00 0.65 C ATOM 1005 NE2 HIS A 63 8.601 -1.944 6.046 1.00 0.58 N ATOM 0 H HIS A 63 9.113 -7.131 6.347 1.00 0.55 H new ATOM 0 HA HIS A 63 10.702 -5.360 7.754 1.00 0.69 H new ATOM 0 HB2 HIS A 63 7.799 -5.897 7.279 1.00 0.91 H new ATOM 0 HB3 HIS A 63 8.161 -4.891 8.668 1.00 0.91 H new ATOM 0 HD1 HIS A 63 9.336 -4.848 4.944 1.00 0.75 H new ATOM 0 HD2 HIS A 63 8.040 -2.411 8.136 1.00 0.66 H new ATOM 0 HE1 HIS A 63 9.321 -2.432 4.075 1.00 0.65 H new ATOM 1013 N SER A 64 8.854 -6.949 9.961 1.00 0.65 N ATOM 1014 CA SER A 64 8.667 -7.270 11.372 1.00 0.57 C ATOM 1015 C SER A 64 7.174 -7.498 11.629 1.00 0.59 C ATOM 1016 O SER A 64 6.330 -7.230 10.770 1.00 0.70 O ATOM 1017 CB SER A 64 9.174 -6.136 12.278 1.00 0.67 C ATOM 1018 OG SER A 64 10.490 -6.396 12.713 1.00 1.92 O ATOM 0 H SER A 64 8.013 -7.133 9.413 1.00 0.65 H new ATOM 0 HA SER A 64 9.240 -8.167 11.605 1.00 0.57 H new ATOM 0 HB2 SER A 64 9.145 -5.191 11.736 1.00 0.67 H new ATOM 0 HB3 SER A 64 8.515 -6.030 13.140 1.00 0.67 H new ATOM 0 HG SER A 64 11.084 -6.462 11.936 1.00 1.92 H new ATOM 1024 N THR A 65 6.843 -7.973 12.829 1.00 0.67 N ATOM 1025 CA THR A 65 5.492 -8.302 13.237 1.00 0.83 C ATOM 1026 C THR A 65 4.684 -7.035 13.523 1.00 0.76 C ATOM 1027 O THR A 65 3.613 -6.843 12.955 1.00 0.74 O ATOM 1028 CB THR A 65 5.619 -9.202 14.467 1.00 1.07 C ATOM 1029 OG1 THR A 65 6.407 -10.317 14.099 1.00 1.31 O ATOM 1030 CG2 THR A 65 4.271 -9.689 14.980 1.00 1.26 C ATOM 0 H THR A 65 7.533 -8.142 13.561 1.00 0.67 H new ATOM 0 HA THR A 65 4.950 -8.822 12.447 1.00 0.83 H new ATOM 0 HB THR A 65 6.074 -8.626 15.273 1.00 1.07 H new ATOM 0 HG1 THR A 65 6.509 -10.914 14.869 1.00 1.31 H new ATOM 0 HG21 THR A 65 4.422 -10.323 15.853 1.00 1.26 H new ATOM 0 HG22 THR A 65 3.655 -8.833 15.255 1.00 1.26 H new ATOM 0 HG23 THR A 65 3.769 -10.260 14.199 1.00 1.26 H new ATOM 1038 N ASP A 66 5.207 -6.137 14.357 1.00 0.81 N ATOM 1039 CA ASP A 66 4.539 -4.881 14.707 1.00 0.88 C ATOM 1040 C ASP A 66 4.326 -4.041 13.453 1.00 0.75 C ATOM 1041 O ASP A 66 3.367 -3.283 13.331 1.00 0.74 O ATOM 1042 CB ASP A 66 5.402 -4.091 15.700 1.00 1.11 C ATOM 1043 CG ASP A 66 5.357 -4.686 17.104 1.00 1.84 C ATOM 1044 OD1 ASP A 66 5.723 -5.879 17.211 1.00 2.94 O ATOM 1045 OD2 ASP A 66 4.982 -3.941 18.035 1.00 2.27 O ATOM 0 H ASP A 66 6.111 -6.260 14.812 1.00 0.81 H new ATOM 0 HA ASP A 66 3.575 -5.110 15.162 1.00 0.88 H new ATOM 0 HB2 ASP A 66 6.433 -4.073 15.348 1.00 1.11 H new ATOM 0 HB3 ASP A 66 5.059 -3.057 15.734 1.00 1.11 H new ATOM 1050 N ALA A 67 5.212 -4.212 12.472 1.00 0.69 N ATOM 1051 CA ALA A 67 5.072 -3.550 11.196 1.00 0.64 C ATOM 1052 C ALA A 67 3.816 -4.089 10.496 1.00 0.58 C ATOM 1053 O ALA A 67 2.971 -3.320 10.046 1.00 0.70 O ATOM 1054 CB ALA A 67 6.364 -3.746 10.397 1.00 0.72 C ATOM 0 H ALA A 67 6.036 -4.809 12.548 1.00 0.69 H new ATOM 0 HA ALA A 67 4.931 -2.475 11.304 1.00 0.64 H new ATOM 0 HB1 ALA A 67 6.273 -3.251 9.430 1.00 0.72 H new ATOM 0 HB2 ALA A 67 7.201 -3.316 10.947 1.00 0.72 H new ATOM 0 HB3 ALA A 67 6.539 -4.811 10.244 1.00 0.72 H new ATOM 1060 N ARG A 68 3.646 -5.416 10.469 1.00 0.51 N ATOM 1061 CA ARG A 68 2.433 -6.041 9.950 1.00 0.58 C ATOM 1062 C ARG A 68 1.169 -5.555 10.694 1.00 0.67 C ATOM 1063 O ARG A 68 0.076 -5.599 10.136 1.00 0.77 O ATOM 1064 CB ARG A 68 2.543 -7.571 10.080 1.00 0.66 C ATOM 1065 CG ARG A 68 2.668 -8.290 8.734 1.00 1.06 C ATOM 1066 CD ARG A 68 3.642 -9.467 8.860 1.00 1.81 C ATOM 1067 NE ARG A 68 3.312 -10.554 7.932 1.00 2.17 N ATOM 1068 CZ ARG A 68 4.125 -11.568 7.613 1.00 2.88 C ATOM 1069 NH1 ARG A 68 5.361 -11.626 8.111 1.00 3.70 N ATOM 1070 NH2 ARG A 68 3.699 -12.530 6.800 1.00 3.29 N ATOM 0 H ARG A 68 4.344 -6.080 10.805 1.00 0.51 H new ATOM 0 HA ARG A 68 2.337 -5.755 8.902 1.00 0.58 H new ATOM 0 HB2 ARG A 68 3.410 -7.814 10.695 1.00 0.66 H new ATOM 0 HB3 ARG A 68 1.664 -7.947 10.604 1.00 0.66 H new ATOM 0 HG2 ARG A 68 1.691 -8.648 8.411 1.00 1.06 H new ATOM 0 HG3 ARG A 68 3.020 -7.595 7.972 1.00 1.06 H new ATOM 0 HD2 ARG A 68 4.657 -9.120 8.666 1.00 1.81 H new ATOM 0 HD3 ARG A 68 3.624 -9.845 9.882 1.00 1.81 H new ATOM 0 HE ARG A 68 2.390 -10.536 7.495 1.00 2.17 H new ATOM 0 HH11 ARG A 68 5.692 -10.894 8.740 1.00 3.70 H new ATOM 0 HH12 ARG A 68 5.975 -12.402 7.863 1.00 3.70 H new ATOM 0 HH21 ARG A 68 2.753 -12.495 6.420 1.00 3.29 H new ATOM 0 HH22 ARG A 68 4.318 -13.303 6.556 1.00 3.29 H new ATOM 1084 N GLU A 69 1.262 -5.128 11.960 1.00 0.70 N ATOM 1085 CA GLU A 69 0.081 -4.649 12.691 1.00 0.76 C ATOM 1086 C GLU A 69 -0.373 -3.293 12.178 1.00 0.66 C ATOM 1087 O GLU A 69 -1.569 -3.080 11.985 1.00 0.69 O ATOM 1088 CB GLU A 69 0.345 -4.529 14.198 1.00 0.95 C ATOM 1089 CG GLU A 69 0.158 -5.867 14.916 1.00 1.14 C ATOM 1090 CD GLU A 69 -0.748 -5.703 16.137 1.00 1.47 C ATOM 1091 OE1 GLU A 69 -1.981 -5.647 15.922 1.00 2.08 O ATOM 1092 OE2 GLU A 69 -0.205 -5.624 17.260 1.00 2.21 O ATOM 0 H GLU A 69 2.131 -5.104 12.494 1.00 0.70 H new ATOM 0 HA GLU A 69 -0.699 -5.392 12.522 1.00 0.76 H new ATOM 0 HB2 GLU A 69 1.360 -4.168 14.361 1.00 0.95 H new ATOM 0 HB3 GLU A 69 -0.330 -3.789 14.627 1.00 0.95 H new ATOM 0 HG2 GLU A 69 -0.275 -6.596 14.231 1.00 1.14 H new ATOM 0 HG3 GLU A 69 1.127 -6.258 15.226 1.00 1.14 H new ATOM 1099 N LEU A 70 0.551 -2.371 11.916 1.00 0.60 N ATOM 1100 CA LEU A 70 0.198 -1.116 11.296 1.00 0.64 C ATOM 1101 C LEU A 70 -0.447 -1.379 9.936 1.00 0.60 C ATOM 1102 O LEU A 70 -1.368 -0.658 9.560 1.00 0.68 O ATOM 1103 CB LEU A 70 1.472 -0.291 11.165 1.00 0.78 C ATOM 1104 CG LEU A 70 1.968 0.245 12.514 1.00 0.82 C ATOM 1105 CD1 LEU A 70 3.492 0.167 12.649 1.00 2.14 C ATOM 1106 CD2 LEU A 70 1.520 1.693 12.648 1.00 1.07 C ATOM 0 H LEU A 70 1.543 -2.478 12.126 1.00 0.60 H new ATOM 0 HA LEU A 70 -0.526 -0.566 11.897 1.00 0.64 H new ATOM 0 HB2 LEU A 70 2.252 -0.903 10.712 1.00 0.78 H new ATOM 0 HB3 LEU A 70 1.291 0.545 10.490 1.00 0.78 H new ATOM 0 HG LEU A 70 1.544 -0.375 13.304 1.00 0.82 H new ATOM 0 HD11 LEU A 70 3.792 0.558 13.621 1.00 2.14 H new ATOM 0 HD12 LEU A 70 3.812 -0.871 12.561 1.00 2.14 H new ATOM 0 HD13 LEU A 70 3.958 0.758 11.861 1.00 2.14 H new ATOM 0 HD21 LEU A 70 1.863 2.093 13.602 1.00 1.07 H new ATOM 0 HD22 LEU A 70 1.943 2.282 11.834 1.00 1.07 H new ATOM 0 HD23 LEU A 70 0.432 1.743 12.604 1.00 1.07 H new ATOM 1118 N SER A 71 -0.071 -2.467 9.246 1.00 0.61 N ATOM 1119 CA SER A 71 -0.728 -2.855 8.004 1.00 0.73 C ATOM 1120 C SER A 71 -2.251 -2.899 8.138 1.00 0.66 C ATOM 1121 O SER A 71 -2.991 -2.619 7.196 1.00 0.85 O ATOM 1122 CB SER A 71 -0.232 -4.209 7.504 1.00 0.93 C ATOM 1123 OG SER A 71 1.165 -4.336 7.651 1.00 1.59 O ATOM 0 H SER A 71 0.685 -3.089 9.533 1.00 0.61 H new ATOM 0 HA SER A 71 -0.467 -2.085 7.278 1.00 0.73 H new ATOM 0 HB2 SER A 71 -0.731 -5.006 8.055 1.00 0.93 H new ATOM 0 HB3 SER A 71 -0.501 -4.331 6.455 1.00 0.93 H new ATOM 0 HG SER A 71 1.540 -4.763 6.853 1.00 1.59 H new ATOM 1129 N LYS A 72 -2.734 -3.236 9.332 1.00 0.53 N ATOM 1130 CA LYS A 72 -4.149 -3.359 9.613 1.00 0.58 C ATOM 1131 C LYS A 72 -4.858 -2.010 9.541 1.00 0.53 C ATOM 1132 O LYS A 72 -5.963 -1.944 9.013 1.00 0.71 O ATOM 1133 CB LYS A 72 -4.307 -3.981 11.003 1.00 0.70 C ATOM 1134 CG LYS A 72 -5.692 -4.620 11.135 1.00 0.96 C ATOM 1135 CD LYS A 72 -6.361 -4.125 12.423 1.00 2.70 C ATOM 1136 CE LYS A 72 -7.712 -4.802 12.663 1.00 3.32 C ATOM 1137 NZ LYS A 72 -7.555 -6.161 13.226 1.00 3.67 N ATOM 0 H LYS A 72 -2.140 -3.432 10.137 1.00 0.53 H new ATOM 0 HA LYS A 72 -4.612 -3.996 8.859 1.00 0.58 H new ATOM 0 HB2 LYS A 72 -3.534 -4.732 11.165 1.00 0.70 H new ATOM 0 HB3 LYS A 72 -4.175 -3.217 11.770 1.00 0.70 H new ATOM 0 HG2 LYS A 72 -6.306 -4.364 10.272 1.00 0.96 H new ATOM 0 HG3 LYS A 72 -5.603 -5.706 11.153 1.00 0.96 H new ATOM 0 HD2 LYS A 72 -5.703 -4.318 13.270 1.00 2.70 H new ATOM 0 HD3 LYS A 72 -6.501 -3.045 12.367 1.00 2.70 H new ATOM 0 HE2 LYS A 72 -8.307 -4.193 13.344 1.00 3.32 H new ATOM 0 HE3 LYS A 72 -8.261 -4.859 11.723 1.00 3.32 H new ATOM 0 HZ1 LYS A 72 -8.493 -6.586 13.374 1.00 3.67 H new ATOM 0 HZ2 LYS A 72 -7.009 -6.750 12.565 1.00 3.67 H new ATOM 0 HZ3 LYS A 72 -7.053 -6.104 14.135 1.00 3.67 H new ATOM 1151 N THR A 73 -4.243 -0.939 10.048 1.00 0.47 N ATOM 1152 CA THR A 73 -4.826 0.398 9.959 1.00 0.49 C ATOM 1153 C THR A 73 -4.518 1.037 8.594 1.00 0.54 C ATOM 1154 O THR A 73 -4.908 2.171 8.337 1.00 0.69 O ATOM 1155 CB THR A 73 -4.406 1.238 11.185 1.00 0.58 C ATOM 1156 OG1 THR A 73 -5.411 2.176 11.502 1.00 1.35 O ATOM 1157 CG2 THR A 73 -3.085 1.986 11.035 1.00 1.07 C ATOM 0 H THR A 73 -3.342 -0.974 10.524 1.00 0.47 H new ATOM 0 HA THR A 73 -5.914 0.343 10.000 1.00 0.49 H new ATOM 0 HB THR A 73 -4.265 0.508 11.982 1.00 0.58 H new ATOM 0 HG1 THR A 73 -5.134 2.701 12.282 1.00 1.35 H new ATOM 0 HG21 THR A 73 -2.878 2.546 11.947 1.00 1.07 H new ATOM 0 HG22 THR A 73 -2.281 1.272 10.857 1.00 1.07 H new ATOM 0 HG23 THR A 73 -3.151 2.676 10.193 1.00 1.07 H new ATOM 1165 N PHE A 74 -3.794 0.331 7.714 1.00 0.57 N ATOM 1166 CA PHE A 74 -3.396 0.849 6.410 1.00 0.68 C ATOM 1167 C PHE A 74 -4.255 0.272 5.296 1.00 0.64 C ATOM 1168 O PHE A 74 -4.384 0.892 4.246 1.00 0.66 O ATOM 1169 CB PHE A 74 -1.947 0.468 6.123 1.00 0.84 C ATOM 1170 CG PHE A 74 -0.877 1.181 6.897 1.00 0.84 C ATOM 1171 CD1 PHE A 74 -1.132 1.938 8.053 1.00 1.61 C ATOM 1172 CD2 PHE A 74 0.428 1.060 6.416 1.00 2.41 C ATOM 1173 CE1 PHE A 74 -0.070 2.520 8.755 1.00 1.57 C ATOM 1174 CE2 PHE A 74 1.480 1.712 7.060 1.00 2.53 C ATOM 1175 CZ PHE A 74 1.233 2.396 8.257 1.00 1.06 C ATOM 0 H PHE A 74 -3.470 -0.619 7.894 1.00 0.57 H new ATOM 0 HA PHE A 74 -3.519 1.932 6.439 1.00 0.68 H new ATOM 0 HB2 PHE A 74 -1.838 -0.601 6.305 1.00 0.84 H new ATOM 0 HB3 PHE A 74 -1.760 0.631 5.062 1.00 0.84 H new ATOM 0 HD1 PHE A 74 -2.146 2.071 8.400 1.00 1.61 H new ATOM 0 HD2 PHE A 74 0.624 0.458 5.541 1.00 2.41 H new ATOM 0 HE1 PHE A 74 -0.254 3.060 9.672 1.00 1.57 H new ATOM 0 HE2 PHE A 74 2.475 1.690 6.640 1.00 2.53 H new ATOM 0 HZ PHE A 74 2.057 2.833 8.802 1.00 1.06 H new ATOM 1185 N ILE A 75 -4.819 -0.924 5.468 1.00 0.62 N ATOM 1186 CA ILE A 75 -5.747 -1.459 4.495 1.00 0.56 C ATOM 1187 C ILE A 75 -6.919 -0.486 4.361 1.00 0.53 C ATOM 1188 O ILE A 75 -7.465 -0.016 5.356 1.00 0.59 O ATOM 1189 CB ILE A 75 -6.140 -2.894 4.914 1.00 0.55 C ATOM 1190 CG1 ILE A 75 -5.857 -3.870 3.773 1.00 0.79 C ATOM 1191 CG2 ILE A 75 -7.612 -3.043 5.315 1.00 0.65 C ATOM 1192 CD1 ILE A 75 -5.648 -5.294 4.301 1.00 1.07 C ATOM 0 H ILE A 75 -4.645 -1.531 6.269 1.00 0.62 H new ATOM 0 HA ILE A 75 -5.307 -1.549 3.502 1.00 0.56 H new ATOM 0 HB ILE A 75 -5.535 -3.118 5.793 1.00 0.55 H new ATOM 0 HG12 ILE A 75 -6.688 -3.859 3.067 1.00 0.79 H new ATOM 0 HG13 ILE A 75 -4.970 -3.548 3.227 1.00 0.79 H new ATOM 0 HG21 ILE A 75 -7.810 -4.078 5.596 1.00 0.65 H new ATOM 0 HG22 ILE A 75 -7.826 -2.390 6.161 1.00 0.65 H new ATOM 0 HG23 ILE A 75 -8.248 -2.767 4.474 1.00 0.65 H new ATOM 0 HD11 ILE A 75 -5.449 -5.966 3.466 1.00 1.07 H new ATOM 0 HD12 ILE A 75 -4.801 -5.307 4.987 1.00 1.07 H new ATOM 0 HD13 ILE A 75 -6.545 -5.623 4.825 1.00 1.07 H new ATOM 1204 N ILE A 76 -7.310 -0.198 3.123 1.00 0.59 N ATOM 1205 CA ILE A 76 -8.479 0.618 2.816 1.00 0.58 C ATOM 1206 C ILE A 76 -9.432 -0.135 1.884 1.00 0.56 C ATOM 1207 O ILE A 76 -10.513 0.350 1.550 1.00 0.64 O ATOM 1208 CB ILE A 76 -8.032 1.978 2.249 1.00 0.55 C ATOM 1209 CG1 ILE A 76 -7.194 1.866 0.963 1.00 0.50 C ATOM 1210 CG2 ILE A 76 -7.189 2.727 3.274 1.00 0.67 C ATOM 1211 CD1 ILE A 76 -8.087 1.763 -0.252 1.00 0.75 C ATOM 0 H ILE A 76 -6.817 -0.530 2.294 1.00 0.59 H new ATOM 0 HA ILE A 76 -9.039 0.818 3.730 1.00 0.58 H new ATOM 0 HB ILE A 76 -8.955 2.509 2.014 1.00 0.55 H new ATOM 0 HG12 ILE A 76 -6.544 2.736 0.870 1.00 0.50 H new ATOM 0 HG13 ILE A 76 -6.547 0.990 1.020 1.00 0.50 H new ATOM 0 HG21 ILE A 76 -6.880 3.687 2.860 1.00 0.67 H new ATOM 0 HG22 ILE A 76 -7.777 2.894 4.177 1.00 0.67 H new ATOM 0 HG23 ILE A 76 -6.306 2.137 3.520 1.00 0.67 H new ATOM 0 HD11 ILE A 76 -7.473 1.685 -1.149 1.00 0.75 H new ATOM 0 HD12 ILE A 76 -8.718 0.878 -0.166 1.00 0.75 H new ATOM 0 HD13 ILE A 76 -8.715 2.651 -0.318 1.00 0.75 H new ATOM 1223 N GLY A 77 -9.050 -1.335 1.443 1.00 0.58 N ATOM 1224 CA GLY A 77 -9.824 -2.091 0.484 1.00 0.66 C ATOM 1225 C GLY A 77 -9.074 -3.357 0.120 1.00 0.57 C ATOM 1226 O GLY A 77 -8.012 -3.635 0.674 1.00 0.54 O ATOM 0 H GLY A 77 -8.195 -1.801 1.746 1.00 0.58 H new ATOM 0 HA2 GLY A 77 -10.799 -2.340 0.902 1.00 0.66 H new ATOM 0 HA3 GLY A 77 -10.004 -1.492 -0.409 1.00 0.66 H new ATOM 1230 N GLU A 78 -9.607 -4.115 -0.830 1.00 0.60 N ATOM 1231 CA GLU A 78 -8.912 -5.250 -1.407 1.00 0.60 C ATOM 1232 C GLU A 78 -9.083 -5.172 -2.917 1.00 0.68 C ATOM 1233 O GLU A 78 -9.957 -4.449 -3.399 1.00 0.75 O ATOM 1234 CB GLU A 78 -9.419 -6.567 -0.793 1.00 0.62 C ATOM 1235 CG GLU A 78 -8.837 -6.736 0.623 1.00 1.90 C ATOM 1236 CD GLU A 78 -9.213 -8.040 1.337 1.00 2.19 C ATOM 1237 OE1 GLU A 78 -10.272 -8.611 0.999 1.00 2.20 O ATOM 1238 OE2 GLU A 78 -8.450 -8.442 2.253 1.00 3.40 O ATOM 0 H GLU A 78 -10.536 -3.956 -1.220 1.00 0.60 H new ATOM 0 HA GLU A 78 -7.846 -5.224 -1.181 1.00 0.60 H new ATOM 0 HB2 GLU A 78 -10.508 -6.565 -0.751 1.00 0.62 H new ATOM 0 HB3 GLU A 78 -9.126 -7.409 -1.420 1.00 0.62 H new ATOM 0 HG2 GLU A 78 -7.750 -6.676 0.560 1.00 1.90 H new ATOM 0 HG3 GLU A 78 -9.168 -5.898 1.236 1.00 1.90 H new ATOM 1245 N LEU A 79 -8.220 -5.860 -3.667 1.00 0.78 N ATOM 1246 CA LEU A 79 -8.341 -5.918 -5.112 1.00 0.90 C ATOM 1247 C LEU A 79 -9.640 -6.640 -5.434 1.00 0.73 C ATOM 1248 O LEU A 79 -9.862 -7.737 -4.921 1.00 0.98 O ATOM 1249 CB LEU A 79 -7.131 -6.659 -5.700 1.00 1.31 C ATOM 1250 CG LEU A 79 -6.042 -5.673 -6.120 1.00 0.65 C ATOM 1251 CD1 LEU A 79 -5.576 -4.776 -4.977 1.00 1.39 C ATOM 1252 CD2 LEU A 79 -4.843 -6.423 -6.699 1.00 1.73 C ATOM 0 H LEU A 79 -7.430 -6.384 -3.290 1.00 0.78 H new ATOM 0 HA LEU A 79 -8.359 -4.919 -5.549 1.00 0.90 H new ATOM 0 HB2 LEU A 79 -6.732 -7.356 -4.963 1.00 1.31 H new ATOM 0 HB3 LEU A 79 -7.444 -7.250 -6.561 1.00 1.31 H new ATOM 0 HG LEU A 79 -6.486 -5.028 -6.879 1.00 0.65 H new ATOM 0 HD11 LEU A 79 -4.803 -4.098 -5.338 1.00 1.39 H new ATOM 0 HD12 LEU A 79 -6.420 -4.197 -4.602 1.00 1.39 H new ATOM 0 HD13 LEU A 79 -5.172 -5.391 -4.173 1.00 1.39 H new ATOM 0 HD21 LEU A 79 -4.075 -5.708 -6.994 1.00 1.73 H new ATOM 0 HD22 LEU A 79 -4.439 -7.100 -5.946 1.00 1.73 H new ATOM 0 HD23 LEU A 79 -5.159 -6.997 -7.570 1.00 1.73 H new ATOM 1264 N HIS A 80 -10.500 -6.030 -6.255 1.00 0.59 N ATOM 1265 CA HIS A 80 -11.759 -6.663 -6.635 1.00 0.76 C ATOM 1266 C HIS A 80 -11.547 -8.112 -7.093 1.00 0.92 C ATOM 1267 O HIS A 80 -10.592 -8.399 -7.820 1.00 1.07 O ATOM 1268 CB HIS A 80 -12.460 -5.871 -7.741 1.00 1.01 C ATOM 1269 CG HIS A 80 -13.616 -5.040 -7.245 1.00 1.33 C ATOM 1270 ND1 HIS A 80 -14.858 -5.519 -6.884 1.00 2.65 N ATOM 1271 CD2 HIS A 80 -13.655 -3.677 -7.144 1.00 0.95 C ATOM 1272 CE1 HIS A 80 -15.629 -4.459 -6.584 1.00 2.52 C ATOM 1273 NE2 HIS A 80 -14.946 -3.321 -6.751 1.00 1.33 N ATOM 0 H HIS A 80 -10.347 -5.108 -6.664 1.00 0.59 H new ATOM 0 HA HIS A 80 -12.392 -6.671 -5.748 1.00 0.76 H new ATOM 0 HB2 HIS A 80 -11.734 -5.217 -8.225 1.00 1.01 H new ATOM 0 HB3 HIS A 80 -12.821 -6.564 -8.501 1.00 1.01 H new ATOM 0 HD2 HIS A 80 -12.836 -2.999 -7.334 1.00 0.95 H new ATOM 0 HE1 HIS A 80 -16.656 -4.518 -6.254 1.00 2.52 H new ATOM 0 HE2 HIS A 80 -15.301 -2.374 -6.617 1.00 1.33 H new ATOM 1281 N PRO A 81 -12.444 -9.029 -6.697 1.00 1.32 N ATOM 1282 CA PRO A 81 -12.316 -10.437 -6.996 1.00 1.66 C ATOM 1283 C PRO A 81 -12.712 -10.717 -8.443 1.00 1.78 C ATOM 1284 O PRO A 81 -13.828 -11.139 -8.728 1.00 2.82 O ATOM 1285 CB PRO A 81 -13.201 -11.163 -5.980 1.00 2.23 C ATOM 1286 CG PRO A 81 -14.270 -10.135 -5.607 1.00 2.37 C ATOM 1287 CD PRO A 81 -13.629 -8.778 -5.895 1.00 1.79 C ATOM 0 HA PRO A 81 -11.288 -10.788 -6.910 1.00 1.66 H new ATOM 0 HB2 PRO A 81 -13.645 -12.061 -6.409 1.00 2.23 H new ATOM 0 HB3 PRO A 81 -12.629 -11.477 -5.107 1.00 2.23 H new ATOM 0 HG2 PRO A 81 -15.176 -10.277 -6.196 1.00 2.37 H new ATOM 0 HG3 PRO A 81 -14.554 -10.223 -4.558 1.00 2.37 H new ATOM 0 HD2 PRO A 81 -14.324 -8.128 -6.427 1.00 1.79 H new ATOM 0 HD3 PRO A 81 -13.366 -8.271 -4.967 1.00 1.79 H new ATOM 1295 N ASP A 82 -11.769 -10.465 -9.344 1.00 1.73 N ATOM 1296 CA ASP A 82 -11.871 -10.707 -10.775 1.00 1.83 C ATOM 1297 C ASP A 82 -10.447 -10.605 -11.310 1.00 1.71 C ATOM 1298 O ASP A 82 -9.844 -11.571 -11.776 1.00 1.82 O ATOM 1299 CB ASP A 82 -12.803 -9.655 -11.403 1.00 2.08 C ATOM 1300 CG ASP A 82 -13.011 -9.866 -12.903 1.00 2.72 C ATOM 1301 OD1 ASP A 82 -12.715 -10.985 -13.374 1.00 3.67 O ATOM 1302 OD2 ASP A 82 -13.516 -8.920 -13.545 1.00 3.26 O ATOM 0 H ASP A 82 -10.868 -10.066 -9.081 1.00 1.73 H new ATOM 0 HA ASP A 82 -12.295 -11.682 -11.014 1.00 1.83 H new ATOM 0 HB2 ASP A 82 -13.769 -9.686 -10.899 1.00 2.08 H new ATOM 0 HB3 ASP A 82 -12.387 -8.662 -11.235 1.00 2.08 H new ATOM 1307 N ASP A 83 -9.815 -9.459 -11.061 1.00 1.69 N ATOM 1308 CA ASP A 83 -8.511 -9.137 -11.623 1.00 2.00 C ATOM 1309 C ASP A 83 -7.365 -9.706 -10.784 1.00 2.06 C ATOM 1310 O ASP A 83 -6.228 -9.255 -10.890 1.00 2.52 O ATOM 1311 CB ASP A 83 -8.366 -7.624 -11.755 1.00 2.43 C ATOM 1312 CG ASP A 83 -9.415 -7.013 -12.681 1.00 3.91 C ATOM 1313 OD1 ASP A 83 -9.464 -7.467 -13.845 1.00 5.03 O ATOM 1314 OD2 ASP A 83 -10.107 -6.079 -12.218 1.00 4.72 O ATOM 0 H ASP A 83 -10.197 -8.728 -10.461 1.00 1.69 H new ATOM 0 HA ASP A 83 -8.451 -9.600 -12.608 1.00 2.00 H new ATOM 0 HB2 ASP A 83 -8.447 -7.167 -10.769 1.00 2.43 H new ATOM 0 HB3 ASP A 83 -7.371 -7.390 -12.134 1.00 2.43 H new ATOM 1319 N ARG A 84 -7.636 -10.682 -9.915 1.00 1.99 N ATOM 1320 CA ARG A 84 -6.626 -11.193 -8.998 1.00 2.40 C ATOM 1321 C ARG A 84 -5.938 -12.406 -9.593 1.00 2.74 C ATOM 1322 O ARG A 84 -4.734 -12.573 -9.430 1.00 3.45 O ATOM 1323 CB ARG A 84 -7.272 -11.504 -7.640 1.00 2.58 C ATOM 1324 CG ARG A 84 -6.213 -11.840 -6.575 1.00 3.24 C ATOM 1325 CD ARG A 84 -5.807 -13.324 -6.563 1.00 4.31 C ATOM 1326 NE ARG A 84 -4.363 -13.492 -6.326 1.00 5.49 N ATOM 1327 CZ ARG A 84 -3.638 -14.567 -6.664 1.00 6.62 C ATOM 1328 NH1 ARG A 84 -4.220 -15.632 -7.218 1.00 6.94 N ATOM 1329 NH2 ARG A 84 -2.323 -14.580 -6.437 1.00 7.84 N ATOM 0 H ARG A 84 -8.548 -11.132 -9.830 1.00 1.99 H new ATOM 0 HA ARG A 84 -5.859 -10.436 -8.838 1.00 2.40 H new ATOM 0 HB2 ARG A 84 -7.861 -10.648 -7.311 1.00 2.58 H new ATOM 0 HB3 ARG A 84 -7.961 -12.342 -7.747 1.00 2.58 H new ATOM 0 HG2 ARG A 84 -5.327 -11.230 -6.750 1.00 3.24 H new ATOM 0 HG3 ARG A 84 -6.598 -11.568 -5.592 1.00 3.24 H new ATOM 0 HD2 ARG A 84 -6.366 -13.848 -5.788 1.00 4.31 H new ATOM 0 HD3 ARG A 84 -6.075 -13.782 -7.515 1.00 4.31 H new ATOM 0 HE ARG A 84 -3.873 -12.725 -5.865 1.00 5.49 H new ATOM 0 HH11 ARG A 84 -5.226 -15.633 -7.388 1.00 6.94 H new ATOM 0 HH12 ARG A 84 -3.659 -16.445 -7.472 1.00 6.94 H new ATOM 0 HH21 ARG A 84 -1.872 -13.773 -6.007 1.00 7.84 H new ATOM 0 HH22 ARG A 84 -1.769 -15.397 -6.693 1.00 7.84 H new ATOM 1343 N SER A 85 -6.690 -13.269 -10.276 1.00 2.51 N ATOM 1344 CA SER A 85 -6.139 -14.507 -10.805 1.00 3.03 C ATOM 1345 C SER A 85 -5.864 -14.365 -12.299 1.00 3.89 C ATOM 1346 O SER A 85 -6.009 -15.340 -13.033 1.00 4.31 O ATOM 1347 CB SER A 85 -7.074 -15.677 -10.482 1.00 2.98 C ATOM 1348 OG SER A 85 -6.326 -16.873 -10.495 1.00 3.73 O ATOM 0 H SER A 85 -7.681 -13.130 -10.473 1.00 2.51 H new ATOM 0 HA SER A 85 -5.183 -14.720 -10.327 1.00 3.03 H new ATOM 0 HB2 SER A 85 -7.537 -15.532 -9.506 1.00 2.98 H new ATOM 0 HB3 SER A 85 -7.881 -15.728 -11.213 1.00 2.98 H new ATOM 0 HG SER A 85 -5.852 -16.953 -11.349 1.00 3.73 H new ATOM 1354 N LYS A 86 -5.511 -13.155 -12.756 1.00 4.45 N ATOM 1355 CA LYS A 86 -5.347 -12.884 -14.180 1.00 5.66 C ATOM 1356 C LYS A 86 -4.158 -11.964 -14.436 1.00 6.62 C ATOM 1357 O LYS A 86 -3.195 -12.399 -15.057 1.00 7.78 O ATOM 1358 CB LYS A 86 -6.672 -12.336 -14.736 1.00 5.96 C ATOM 1359 CG LYS A 86 -6.904 -12.710 -16.206 1.00 6.92 C ATOM 1360 CD LYS A 86 -6.518 -11.604 -17.191 1.00 8.56 C ATOM 1361 CE LYS A 86 -7.120 -11.988 -18.547 1.00 9.41 C ATOM 1362 NZ LYS A 86 -6.669 -11.101 -19.639 1.00 10.89 N ATOM 0 H LYS A 86 -5.335 -12.351 -12.154 1.00 4.45 H new ATOM 0 HA LYS A 86 -5.115 -13.806 -14.713 1.00 5.66 H new ATOM 0 HB2 LYS A 86 -7.498 -12.717 -14.135 1.00 5.96 H new ATOM 0 HB3 LYS A 86 -6.680 -11.251 -14.637 1.00 5.96 H new ATOM 0 HG2 LYS A 86 -6.330 -13.607 -16.438 1.00 6.92 H new ATOM 0 HG3 LYS A 86 -7.956 -12.959 -16.347 1.00 6.92 H new ATOM 0 HD2 LYS A 86 -6.900 -10.639 -16.858 1.00 8.56 H new ATOM 0 HD3 LYS A 86 -5.434 -11.510 -17.262 1.00 8.56 H new ATOM 0 HE2 LYS A 86 -6.848 -13.017 -18.783 1.00 9.41 H new ATOM 0 HE3 LYS A 86 -8.207 -11.953 -18.481 1.00 9.41 H new ATOM 0 HZ1 LYS A 86 -7.104 -11.403 -20.534 1.00 10.89 H new ATOM 0 HZ2 LYS A 86 -6.951 -10.122 -19.430 1.00 10.89 H new ATOM 0 HZ3 LYS A 86 -5.634 -11.153 -19.723 1.00 10.89 H new ATOM 1376 N LEU A 87 -4.216 -10.721 -13.942 1.00 6.45 N ATOM 1377 CA LEU A 87 -3.138 -9.733 -14.007 1.00 7.48 C ATOM 1378 C LEU A 87 -2.477 -9.648 -15.383 1.00 8.75 C ATOM 1379 O LEU A 87 -1.336 -10.067 -15.559 1.00 9.46 O ATOM 1380 CB LEU A 87 -2.092 -10.025 -12.921 1.00 7.35 C ATOM 1381 CG LEU A 87 -2.657 -9.884 -11.505 1.00 6.54 C ATOM 1382 CD1 LEU A 87 -1.579 -10.291 -10.502 1.00 6.51 C ATOM 1383 CD2 LEU A 87 -3.091 -8.437 -11.263 1.00 6.62 C ATOM 0 H LEU A 87 -5.047 -10.365 -13.469 1.00 6.45 H new ATOM 0 HA LEU A 87 -3.592 -8.758 -13.828 1.00 7.48 H new ATOM 0 HB2 LEU A 87 -1.707 -11.036 -13.055 1.00 7.35 H new ATOM 0 HB3 LEU A 87 -1.249 -9.344 -13.041 1.00 7.35 H new ATOM 0 HG LEU A 87 -3.527 -10.530 -11.384 1.00 6.54 H new ATOM 0 HD11 LEU A 87 -1.970 -10.195 -9.489 1.00 6.51 H new ATOM 0 HD12 LEU A 87 -1.287 -11.326 -10.682 1.00 6.51 H new ATOM 0 HD13 LEU A 87 -0.710 -9.643 -10.619 1.00 6.51 H new ATOM 0 HD21 LEU A 87 -3.492 -8.341 -10.254 1.00 6.62 H new ATOM 0 HD22 LEU A 87 -2.232 -7.776 -11.376 1.00 6.62 H new ATOM 0 HD23 LEU A 87 -3.858 -8.161 -11.986 1.00 6.62 H new ATOM 1395 N SER A 88 -3.168 -9.074 -16.371 1.00 9.34 N ATOM 1396 CA SER A 88 -2.576 -8.909 -17.689 1.00 10.67 C ATOM 1397 C SER A 88 -3.354 -7.870 -18.488 1.00 11.46 C ATOM 1398 O SER A 88 -4.584 -7.931 -18.521 1.00 11.28 O ATOM 1399 CB SER A 88 -2.632 -10.254 -18.404 1.00 10.85 C ATOM 1400 OG SER A 88 -1.835 -10.202 -19.569 1.00 12.03 O ATOM 0 H SER A 88 -4.121 -8.723 -16.281 1.00 9.34 H new ATOM 0 HA SER A 88 -1.545 -8.569 -17.595 1.00 10.67 H new ATOM 0 HB2 SER A 88 -2.277 -11.044 -17.743 1.00 10.85 H new ATOM 0 HB3 SER A 88 -3.662 -10.496 -18.666 1.00 10.85 H new ATOM 0 HG SER A 88 -1.870 -11.067 -20.028 1.00 12.03 H new ATOM 1406 N LYS A 89 -2.652 -6.939 -19.144 1.00 12.60 N ATOM 1407 CA LYS A 89 -3.256 -5.914 -19.989 1.00 13.66 C ATOM 1408 C LYS A 89 -2.170 -5.359 -20.920 1.00 14.96 C ATOM 1409 O LYS A 89 -1.375 -4.537 -20.477 1.00 15.67 O ATOM 1410 CB LYS A 89 -3.841 -4.803 -19.095 1.00 14.00 C ATOM 1411 CG LYS A 89 -4.687 -3.787 -19.876 1.00 15.08 C ATOM 1412 CD LYS A 89 -6.130 -4.274 -20.060 1.00 14.90 C ATOM 1413 CE LYS A 89 -6.946 -3.233 -20.839 1.00 16.09 C ATOM 1414 NZ LYS A 89 -7.606 -2.230 -19.963 1.00 16.84 N ATOM 0 H LYS A 89 -1.635 -6.879 -19.099 1.00 12.60 H new ATOM 0 HA LYS A 89 -4.065 -6.328 -20.591 1.00 13.66 H new ATOM 0 HB2 LYS A 89 -4.455 -5.256 -18.317 1.00 14.00 H new ATOM 0 HB3 LYS A 89 -3.026 -4.280 -18.594 1.00 14.00 H new ATOM 0 HG2 LYS A 89 -4.689 -2.833 -19.349 1.00 15.08 H new ATOM 0 HG3 LYS A 89 -4.235 -3.611 -20.852 1.00 15.08 H new ATOM 0 HD2 LYS A 89 -6.135 -5.224 -20.594 1.00 14.90 H new ATOM 0 HD3 LYS A 89 -6.588 -4.452 -19.087 1.00 14.90 H new ATOM 0 HE2 LYS A 89 -6.290 -2.717 -21.540 1.00 16.09 H new ATOM 0 HE3 LYS A 89 -7.705 -3.745 -21.430 1.00 16.09 H new ATOM 0 HZ1 LYS A 89 -8.140 -1.556 -20.548 1.00 16.84 H new ATOM 0 HZ2 LYS A 89 -8.256 -2.713 -19.310 1.00 16.84 H new ATOM 0 HZ3 LYS A 89 -6.884 -1.718 -19.417 1.00 16.84 H new ATOM 1428 N PRO A 90 -2.068 -5.829 -22.173 1.00 15.47 N ATOM 1429 CA PRO A 90 -1.056 -5.343 -23.099 1.00 16.86 C ATOM 1430 C PRO A 90 -1.441 -3.985 -23.684 1.00 17.82 C ATOM 1431 O PRO A 90 -0.586 -3.121 -23.851 1.00 18.79 O ATOM 1432 CB PRO A 90 -0.968 -6.402 -24.200 1.00 17.15 C ATOM 1433 CG PRO A 90 -2.316 -7.129 -24.161 1.00 16.15 C ATOM 1434 CD PRO A 90 -2.864 -6.894 -22.751 1.00 14.99 C ATOM 0 HA PRO A 90 -0.099 -5.195 -22.598 1.00 16.86 H new ATOM 0 HB2 PRO A 90 -0.794 -5.945 -25.174 1.00 17.15 H new ATOM 0 HB3 PRO A 90 -0.143 -7.091 -24.020 1.00 17.15 H new ATOM 0 HG2 PRO A 90 -2.996 -6.737 -24.917 1.00 16.15 H new ATOM 0 HG3 PRO A 90 -2.194 -8.193 -24.363 1.00 16.15 H new ATOM 0 HD2 PRO A 90 -3.917 -6.616 -22.785 1.00 14.99 H new ATOM 0 HD3 PRO A 90 -2.793 -7.801 -22.151 1.00 14.99 H new ATOM 1442 N MET A 91 -2.720 -3.803 -24.024 1.00 17.77 N ATOM 1443 CA MET A 91 -3.202 -2.557 -24.603 1.00 18.77 C ATOM 1444 C MET A 91 -2.972 -1.422 -23.609 1.00 19.64 C ATOM 1445 O MET A 91 -3.305 -1.576 -22.433 1.00 19.42 O ATOM 1446 CB MET A 91 -4.700 -2.678 -24.908 1.00 18.56 C ATOM 1447 CG MET A 91 -5.153 -1.588 -25.883 1.00 19.55 C ATOM 1448 SD MET A 91 -4.681 -1.906 -27.603 1.00 20.49 S ATOM 1449 CE MET A 91 -5.928 -3.151 -28.031 1.00 20.05 C ATOM 0 H MET A 91 -3.442 -4.513 -23.905 1.00 17.77 H new ATOM 0 HA MET A 91 -2.663 -2.349 -25.528 1.00 18.77 H new ATOM 0 HB2 MET A 91 -4.910 -3.660 -25.332 1.00 18.56 H new ATOM 0 HB3 MET A 91 -5.270 -2.602 -23.982 1.00 18.56 H new ATOM 0 HG2 MET A 91 -6.237 -1.489 -25.825 1.00 19.55 H new ATOM 0 HG3 MET A 91 -4.729 -0.634 -25.570 1.00 19.55 H new ATOM 0 HE1 MET A 91 -5.447 -3.989 -28.535 1.00 20.05 H new ATOM 0 HE2 MET A 91 -6.415 -3.505 -27.123 1.00 20.05 H new ATOM 0 HE3 MET A 91 -6.672 -2.708 -28.693 1.00 20.05 H new ATOM 1459 N GLU A 92 -2.467 -0.282 -24.082 1.00 20.82 N ATOM 1460 CA GLU A 92 -2.210 0.866 -23.225 1.00 22.00 C ATOM 1461 C GLU A 92 -3.162 1.996 -23.611 1.00 22.75 C ATOM 1462 O GLU A 92 -4.010 2.398 -22.819 1.00 22.62 O ATOM 1463 CB GLU A 92 -0.731 1.284 -23.332 1.00 23.05 C ATOM 1464 CG GLU A 92 -0.249 1.920 -22.020 1.00 24.01 C ATOM 1465 CD GLU A 92 0.562 3.197 -22.248 1.00 25.60 C ATOM 1466 OE1 GLU A 92 1.693 3.076 -22.767 1.00 26.31 O ATOM 1467 OE2 GLU A 92 0.041 4.275 -21.884 1.00 26.21 O ATOM 0 H GLU A 92 -2.228 -0.133 -25.062 1.00 20.82 H new ATOM 0 HA GLU A 92 -2.393 0.611 -22.181 1.00 22.00 H new ATOM 0 HB2 GLU A 92 -0.118 0.414 -23.566 1.00 23.05 H new ATOM 0 HB3 GLU A 92 -0.607 1.991 -24.152 1.00 23.05 H new ATOM 0 HG2 GLU A 92 -1.111 2.149 -21.393 1.00 24.01 H new ATOM 0 HG3 GLU A 92 0.360 1.200 -21.474 1.00 24.01 H new ATOM 1474 N THR A 93 -3.051 2.473 -24.849 1.00 23.65 N ATOM 1475 CA THR A 93 -3.809 3.588 -25.386 1.00 24.56 C ATOM 1476 C THR A 93 -4.270 3.222 -26.799 1.00 24.69 C ATOM 1477 O THR A 93 -4.033 2.105 -27.262 1.00 24.26 O ATOM 1478 CB THR A 93 -2.913 4.833 -25.386 1.00 25.81 C ATOM 1479 OG1 THR A 93 -1.699 4.516 -26.035 1.00 26.57 O ATOM 1480 CG2 THR A 93 -2.618 5.321 -23.964 1.00 26.27 C ATOM 0 H THR A 93 -2.403 2.074 -25.528 1.00 23.65 H new ATOM 0 HA THR A 93 -4.690 3.802 -24.781 1.00 24.56 H new ATOM 0 HB THR A 93 -3.435 5.634 -25.909 1.00 25.81 H new ATOM 0 HG1 THR A 93 -1.117 5.304 -26.044 1.00 26.57 H new ATOM 0 HG21 THR A 93 -1.981 6.204 -24.007 1.00 26.27 H new ATOM 0 HG22 THR A 93 -3.553 5.573 -23.464 1.00 26.27 H new ATOM 0 HG23 THR A 93 -2.110 4.534 -23.407 1.00 26.27 H new ATOM 1488 N LEU A 94 -4.951 4.149 -27.472 1.00 25.43 N ATOM 1489 CA LEU A 94 -5.464 4.011 -28.825 1.00 25.79 C ATOM 1490 C LEU A 94 -5.498 5.410 -29.431 1.00 26.60 C ATOM 1491 O LEU A 94 -5.516 5.494 -30.676 1.00 26.93 O ATOM 1492 CB LEU A 94 -6.856 3.358 -28.750 1.00 25.42 C ATOM 1493 CG LEU A 94 -7.683 3.435 -30.041 1.00 25.96 C ATOM 1494 CD1 LEU A 94 -7.070 2.619 -31.181 1.00 26.31 C ATOM 1495 CD2 LEU A 94 -9.081 2.889 -29.736 1.00 25.37 C ATOM 1496 OXT LEU A 94 -5.491 6.366 -28.621 1.00 27.02 O ATOM 0 H LEU A 94 -5.168 5.059 -27.064 1.00 25.43 H new ATOM 0 HA LEU A 94 -4.843 3.374 -29.455 1.00 25.79 H new ATOM 0 HB2 LEU A 94 -6.734 2.310 -28.477 1.00 25.42 H new ATOM 0 HB3 LEU A 94 -7.420 3.833 -27.947 1.00 25.42 H new ATOM 0 HG LEU A 94 -7.712 4.475 -30.367 1.00 25.96 H new ATOM 0 HD11 LEU A 94 -7.695 2.709 -32.070 1.00 26.31 H new ATOM 0 HD12 LEU A 94 -6.071 2.995 -31.401 1.00 26.31 H new ATOM 0 HD13 LEU A 94 -7.007 1.572 -30.886 1.00 26.31 H new ATOM 0 HD21 LEU A 94 -9.693 2.931 -30.637 1.00 25.37 H new ATOM 0 HD22 LEU A 94 -9.002 1.855 -29.399 1.00 25.37 H new ATOM 0 HD23 LEU A 94 -9.544 3.491 -28.954 1.00 25.37 H new TER 1508 LEU A 94 HETATM 1509 FE HEM A 95 8.338 0.011 5.990 1.00 0.49 FE HETATM 1510 CHA HEM A 95 11.025 0.419 8.053 1.00 0.94 C HETATM 1511 CHB HEM A 95 6.204 0.011 8.747 1.00 0.38 C HETATM 1512 CHC HEM A 95 5.567 -0.562 3.924 1.00 0.35 C HETATM 1513 CHD HEM A 95 10.375 0.070 3.178 1.00 0.46 C HETATM 1514 NA HEM A 95 8.565 0.174 8.027 1.00 0.63 N HETATM 1515 C1A HEM A 95 9.765 0.306 8.642 1.00 0.83 C HETATM 1516 C2A HEM A 95 9.526 0.281 10.068 1.00 0.91 C HETATM 1517 C3A HEM A 95 8.161 0.240 10.256 1.00 0.72 C HETATM 1518 C4A HEM A 95 7.564 0.138 8.953 1.00 0.54 C HETATM 1519 CMA HEM A 95 7.393 0.282 11.561 1.00 0.77 C HETATM 1520 CAA HEM A 95 10.588 0.185 11.138 1.00 1.08 C HETATM 1521 CBA HEM A 95 11.395 -1.116 11.036 1.00 1.20 C HETATM 1522 CGA HEM A 95 11.982 -1.545 12.378 1.00 1.93 C HETATM 1523 O1A HEM A 95 11.979 -2.771 12.623 1.00 2.77 O HETATM 1524 O2A HEM A 95 12.417 -0.646 13.131 1.00 2.89 O HETATM 1525 NB HEM A 95 6.288 -0.185 6.273 1.00 0.39 N HETATM 1526 C1B HEM A 95 5.656 -0.163 7.488 1.00 0.35 C HETATM 1527 C2B HEM A 95 4.250 -0.379 7.274 1.00 0.33 C HETATM 1528 C3B HEM A 95 4.093 -0.572 5.924 1.00 0.34 C HETATM 1529 C4B HEM A 95 5.370 -0.420 5.285 1.00 0.35 C HETATM 1530 CMB HEM A 95 3.226 -0.404 8.373 1.00 0.36 C HETATM 1531 CAB HEM A 95 2.862 -1.097 5.213 1.00 0.47 C HETATM 1532 CBB HEM A 95 2.001 -1.924 5.832 1.00 0.90 C HETATM 1533 NC HEM A 95 8.016 -0.177 3.919 1.00 0.39 N HETATM 1534 C1C HEM A 95 6.805 -0.428 3.321 1.00 0.35 C HETATM 1535 C2C HEM A 95 7.031 -0.592 1.906 1.00 0.36 C HETATM 1536 C3C HEM A 95 8.362 -0.312 1.700 1.00 0.38 C HETATM 1537 C4C HEM A 95 9.006 -0.128 2.977 1.00 0.40 C HETATM 1538 CMC HEM A 95 6.033 -1.096 0.891 1.00 0.43 C HETATM 1539 CAC HEM A 95 9.074 -0.282 0.362 1.00 0.42 C HETATM 1540 CBC HEM A 95 8.556 0.313 -0.739 1.00 0.65 C HETATM 1541 ND HEM A 95 10.350 0.204 5.672 1.00 0.62 N HETATM 1542 C1D HEM A 95 10.955 0.232 4.448 1.00 0.58 C HETATM 1543 C2D HEM A 95 12.345 0.544 4.674 1.00 0.75 C HETATM 1544 C3D HEM A 95 12.545 0.602 6.040 1.00 0.85 C HETATM 1545 C4D HEM A 95 11.257 0.398 6.668 1.00 0.81 C HETATM 1546 CMD HEM A 95 13.347 0.866 3.592 1.00 0.88 C HETATM 1547 CAD HEM A 95 13.840 0.911 6.773 1.00 1.01 C HETATM 1548 CBD HEM A 95 15.122 0.290 6.207 1.00 1.51 C HETATM 1549 CGD HEM A 95 14.959 -1.186 5.847 1.00 2.16 C HETATM 1550 O1D HEM A 95 15.504 -1.573 4.791 1.00 3.42 O HETATM 1551 O2D HEM A 95 14.303 -1.902 6.634 1.00 2.96 O HETATM 0 HMA1 HEM A 95 6.420 0.745 11.396 1.00 0.77 H new HETATM 0 HMA2 HEM A 95 7.952 0.864 12.294 1.00 0.77 H new HETATM 0 HMA3 HEM A 95 7.254 -0.733 11.934 1.00 0.77 H new HETATM 0 HMB1 HEM A 95 2.269 -0.055 7.986 1.00 0.36 H new HETATM 0 HMB2 HEM A 95 3.548 0.247 9.185 1.00 0.36 H new HETATM 0 HMB3 HEM A 95 3.117 -1.422 8.746 1.00 0.36 H new HETATM 0 HMC1 HEM A 95 5.345 -1.792 1.371 1.00 0.43 H new HETATM 0 HMC2 HEM A 95 6.560 -1.605 0.084 1.00 0.43 H new HETATM 0 HMC3 HEM A 95 5.472 -0.255 0.484 1.00 0.43 H new HETATM 0 HMD1 HEM A 95 14.104 1.544 3.987 1.00 0.88 H new HETATM 0 HMD2 HEM A 95 12.837 1.340 2.753 1.00 0.88 H new HETATM 0 HMD3 HEM A 95 13.825 -0.053 3.253 1.00 0.88 H new HETATM 0 HBB1 HEM A 95 1.121 -2.290 5.303 1.00 0.90 H new HETATM 0 HBB2 HEM A 95 2.183 -2.228 6.863 1.00 0.90 H new HETATM 0 HBC1 HEM A 95 9.113 0.304 -1.676 1.00 0.65 H new HETATM 0 HBC2 HEM A 95 7.583 0.801 -0.688 1.00 0.65 H new HETATM 0 HBA1 HEM A 95 12.202 -0.984 10.315 1.00 1.20 H new HETATM 0 HBA2 HEM A 95 10.753 -1.909 10.653 1.00 1.20 H new HETATM 0 HAA1 HEM A 95 10.119 0.244 12.120 1.00 1.08 H new HETATM 0 HAA2 HEM A 95 11.263 1.037 11.056 1.00 1.08 H new HETATM 0 HBD1 HEM A 95 15.924 0.394 6.938 1.00 1.51 H new HETATM 0 HBD2 HEM A 95 15.427 0.844 5.319 1.00 1.51 H new HETATM 0 HAD1 HEM A 95 13.732 0.583 7.807 1.00 1.01 H new HETATM 0 HAD2 HEM A 95 13.968 1.993 6.794 1.00 1.01 H new HETATM 0 HHA HEM A 95 11.878 0.530 8.706 1.00 0.94 H new HETATM 0 HHB HEM A 95 5.543 0.049 9.601 1.00 0.38 H new HETATM 0 HHC HEM A 95 4.714 -0.788 3.302 1.00 0.35 H new HETATM 0 HHD HEM A 95 11.021 0.100 2.313 1.00 0.46 H new HETATM 0 HAB HEM A 95 2.671 -0.799 4.182 1.00 0.47 H new HETATM 0 HAC HEM A 95 10.049 -0.762 0.282 1.00 0.42 H new