USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 763 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 96 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 96 HEMFE :(H bumps) USER MOD Set 1.1: A 30 TYR OH : rot 180:sc= -0.0121 USER MOD Set 1.2: A 71 SER OG : rot -62:sc= 1.67 USER MOD Single : A 1 ASP N :NH3+ 175:sc= 0.486 (180deg=0.475) 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 108:sc= 0.82 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.435 X(o=-0.44,f=-0.025) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=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= -0.0426 USER MOD Single : A 21 THR OG1 : rot -170:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -0.027 K(o=-0.027,f=-2!) USER MOD Single : A 27 HIS : no HD1:sc= -0.0403 K(o=-0.04,f=-1.2) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 136:sc= 0.408 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.165 K(o=-0.16,f=-1.4) USER MOD Single : A 55 THR OG1 : rot 120:sc= 0.0907 USER MOD Single : A 57 ASN : amide:sc= -1.72! C(o=-1.7!,f=-1.9!) USER MOD Single : A 64 SER OG : rot -169:sc= -0.109 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 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 74 TYR OH : rot -145:sc= 1.37 USER MOD Single : A 80 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-3.1) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 176:sc= 1.04 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 HEM CMA :methyl -30:sc= -0.0985 (180deg=-0.303) USER MOD Single : A 96 HEM CMB :methyl 150:sc= -0.157 (180deg=-0.157) USER MOD Single : A 96 HEM CMC :methyl -30:sc= -1.69 (180deg=-5.59!) USER MOD Single : A 96 HEM CMD :methyl 150:sc= -0.0393 (180deg=-0.0393) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 3.972 -17.639 -15.441 1.00 0.00 N ATOM 2 CA ASP A 1 4.217 -16.722 -16.565 1.00 0.00 C ATOM 3 C ASP A 1 2.922 -16.038 -16.934 1.00 0.00 C ATOM 4 O ASP A 1 1.880 -16.466 -16.449 1.00 0.00 O ATOM 5 CB ASP A 1 4.812 -17.470 -17.761 1.00 0.00 C ATOM 6 CG ASP A 1 6.223 -17.926 -17.447 1.00 0.00 C ATOM 7 OD1 ASP A 1 6.524 -17.945 -16.232 1.00 0.00 O ATOM 8 OD2 ASP A 1 6.938 -18.254 -18.413 1.00 0.00 O ATOM 0 H1 ASP A 1 4.839 -18.176 -15.236 1.00 0.00 H new ATOM 0 H2 ASP A 1 3.697 -17.092 -14.600 1.00 0.00 H new ATOM 0 H3 ASP A 1 3.207 -18.298 -15.691 1.00 0.00 H new ATOM 0 HA ASP A 1 4.944 -15.967 -16.266 1.00 0.00 H new ATOM 0 HB2 ASP A 1 4.190 -18.331 -18.006 1.00 0.00 H new ATOM 0 HB3 ASP A 1 4.818 -16.822 -18.637 1.00 0.00 H new ATOM 15 N LYS A 2 3.008 -14.998 -17.769 1.00 0.00 N ATOM 16 CA LYS A 2 1.877 -14.154 -18.125 1.00 0.00 C ATOM 17 C LYS A 2 1.258 -13.535 -16.863 1.00 0.00 C ATOM 18 O LYS A 2 1.953 -13.383 -15.856 1.00 0.00 O ATOM 19 CB LYS A 2 0.890 -14.952 -18.997 1.00 0.00 C ATOM 20 CG LYS A 2 1.520 -15.373 -20.336 1.00 0.00 C ATOM 21 CD LYS A 2 1.448 -16.891 -20.577 1.00 0.00 C ATOM 22 CE LYS A 2 1.115 -17.257 -22.036 1.00 0.00 C ATOM 23 NZ LYS A 2 -0.123 -18.062 -22.131 1.00 0.00 N ATOM 0 H LYS A 2 3.880 -14.720 -18.220 1.00 0.00 H new ATOM 0 HA LYS A 2 2.201 -13.309 -18.733 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.562 -15.839 -18.455 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.003 -14.348 -19.187 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.012 -14.856 -21.150 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.562 -15.055 -20.358 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.402 -17.342 -20.305 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.693 -17.322 -19.919 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.002 -16.345 -22.623 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.945 -17.814 -22.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.314 -18.289 -23.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.006 -18.944 -21.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.920 -17.520 -21.740 1.00 0.00 H new ATOM 37 N ASP A 3 -0.022 -13.161 -16.943 1.00 0.00 N ATOM 38 CA ASP A 3 -0.800 -12.515 -15.902 1.00 0.00 C ATOM 39 C ASP A 3 -0.212 -11.142 -15.570 1.00 0.00 C ATOM 40 O ASP A 3 0.754 -10.698 -16.192 1.00 0.00 O ATOM 41 CB ASP A 3 -0.957 -13.427 -14.675 1.00 0.00 C ATOM 42 CG ASP A 3 -1.317 -14.872 -15.015 1.00 0.00 C ATOM 43 OD1 ASP A 3 -1.958 -15.079 -16.071 1.00 0.00 O ATOM 44 OD2 ASP A 3 -0.949 -15.747 -14.202 1.00 0.00 O ATOM 0 H ASP A 3 -0.568 -13.314 -17.791 1.00 0.00 H new ATOM 0 HA ASP A 3 -1.811 -12.341 -16.270 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -0.026 -13.419 -14.108 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.729 -13.015 -14.025 1.00 0.00 H new ATOM 49 N VAL A 4 -0.826 -10.438 -14.618 1.00 0.00 N ATOM 50 CA VAL A 4 -0.314 -9.179 -14.122 1.00 0.00 C ATOM 51 C VAL A 4 0.497 -9.464 -12.857 1.00 0.00 C ATOM 52 O VAL A 4 1.150 -10.498 -12.737 1.00 0.00 O ATOM 53 CB VAL A 4 -1.475 -8.179 -13.948 1.00 0.00 C ATOM 54 CG1 VAL A 4 -2.267 -8.014 -15.254 1.00 0.00 C ATOM 55 CG2 VAL A 4 -2.429 -8.502 -12.788 1.00 0.00 C ATOM 0 H VAL A 4 -1.695 -10.734 -14.174 1.00 0.00 H new ATOM 0 HA VAL A 4 0.365 -8.698 -14.826 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.994 -7.236 -13.687 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.079 -7.303 -15.100 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.605 -7.644 -16.037 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.680 -8.977 -15.553 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.214 -7.747 -12.741 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.878 -9.482 -12.948 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.873 -8.507 -11.850 1.00 0.00 H new ATOM 65 N LYS A 5 0.442 -8.556 -11.891 1.00 0.00 N ATOM 66 CA LYS A 5 1.013 -8.746 -10.578 1.00 0.00 C ATOM 67 C LYS A 5 -0.112 -9.055 -9.603 1.00 0.00 C ATOM 68 O LYS A 5 -0.808 -8.161 -9.141 1.00 0.00 O ATOM 69 CB LYS A 5 1.864 -7.534 -10.244 1.00 0.00 C ATOM 70 CG LYS A 5 3.244 -7.596 -10.918 1.00 0.00 C ATOM 71 CD LYS A 5 4.202 -8.461 -10.085 1.00 0.00 C ATOM 72 CE LYS A 5 5.646 -8.396 -10.603 1.00 0.00 C ATOM 73 NZ LYS A 5 6.099 -9.689 -11.154 1.00 0.00 N ATOM 0 H LYS A 5 -0.012 -7.650 -12.008 1.00 0.00 H new ATOM 0 HA LYS A 5 1.688 -9.600 -10.522 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.346 -6.629 -10.561 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.991 -7.467 -9.164 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.148 -8.010 -11.922 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.650 -6.590 -11.025 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.176 -8.131 -9.046 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.859 -9.496 -10.100 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.720 -7.629 -11.374 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.309 -8.097 -9.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.078 -9.598 -11.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.054 -10.417 -10.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.484 -9.963 -11.946 1.00 0.00 H new ATOM 87 N TYR A 6 -0.300 -10.340 -9.322 1.00 0.00 N ATOM 88 CA TYR A 6 -1.259 -10.836 -8.350 1.00 0.00 C ATOM 89 C TYR A 6 -0.501 -11.343 -7.122 1.00 0.00 C ATOM 90 O TYR A 6 0.316 -12.248 -7.265 1.00 0.00 O ATOM 91 CB TYR A 6 -2.077 -11.949 -9.010 1.00 0.00 C ATOM 92 CG TYR A 6 -3.083 -11.445 -10.022 1.00 0.00 C ATOM 93 CD1 TYR A 6 -4.184 -10.692 -9.578 1.00 0.00 C ATOM 94 CD2 TYR A 6 -2.977 -11.787 -11.383 1.00 0.00 C ATOM 95 CE1 TYR A 6 -5.217 -10.357 -10.466 1.00 0.00 C ATOM 96 CE2 TYR A 6 -3.993 -11.413 -12.283 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.122 -10.714 -11.818 1.00 0.00 C ATOM 98 OH TYR A 6 -6.166 -10.465 -12.657 1.00 0.00 O ATOM 0 H TYR A 6 0.227 -11.084 -9.779 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.940 -10.050 -8.024 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.397 -12.645 -9.502 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.602 -12.509 -8.237 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.235 -10.370 -8.548 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.117 -12.336 -11.737 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.085 -9.824 -10.108 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.906 -11.663 -13.330 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.940 -10.771 -13.560 1.00 0.00 H new ATOM 108 N TYR A 7 -0.745 -10.764 -5.938 1.00 0.00 N ATOM 109 CA TYR A 7 -0.069 -11.154 -4.699 1.00 0.00 C ATOM 110 C TYR A 7 -1.060 -11.695 -3.661 1.00 0.00 C ATOM 111 O TYR A 7 -2.139 -11.126 -3.484 1.00 0.00 O ATOM 112 CB TYR A 7 0.676 -9.937 -4.150 1.00 0.00 C ATOM 113 CG TYR A 7 1.885 -9.498 -4.959 1.00 0.00 C ATOM 114 CD1 TYR A 7 2.936 -10.405 -5.188 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.016 -8.161 -5.384 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.121 -9.976 -5.805 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.186 -7.744 -6.045 1.00 0.00 C ATOM 118 CZ TYR A 7 4.247 -8.645 -6.229 1.00 0.00 C ATOM 119 OH TYR A 7 5.416 -8.224 -6.791 1.00 0.00 O ATOM 0 H TYR A 7 -1.420 -10.009 -5.815 1.00 0.00 H new ATOM 0 HA TYR A 7 0.634 -11.958 -4.914 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.022 -9.102 -4.088 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.000 -10.158 -3.133 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.830 -11.437 -4.887 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.218 -7.456 -5.202 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.935 -10.670 -5.953 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.268 -6.731 -6.411 1.00 0.00 H new ATOM 0 HH TYR A 7 5.341 -7.277 -7.031 1.00 0.00 H new ATOM 129 N THR A 8 -0.709 -12.798 -2.986 1.00 0.00 N ATOM 130 CA THR A 8 -1.552 -13.439 -1.978 1.00 0.00 C ATOM 131 C THR A 8 -1.411 -12.752 -0.614 1.00 0.00 C ATOM 132 O THR A 8 -0.690 -11.769 -0.468 1.00 0.00 O ATOM 133 CB THR A 8 -1.207 -14.934 -1.875 1.00 0.00 C ATOM 134 OG1 THR A 8 0.075 -15.117 -1.316 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.259 -15.653 -3.223 1.00 0.00 C ATOM 0 H THR A 8 0.182 -13.274 -3.130 1.00 0.00 H new ATOM 0 HA THR A 8 -2.592 -13.339 -2.289 1.00 0.00 H new ATOM 0 HB THR A 8 -1.969 -15.370 -1.228 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.012 -15.463 -0.403 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.006 -16.704 -3.085 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.263 -15.573 -3.639 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.545 -15.195 -3.907 1.00 0.00 H new ATOM 143 N LEU A 9 -2.090 -13.263 0.413 1.00 0.00 N ATOM 144 CA LEU A 9 -2.171 -12.605 1.701 1.00 0.00 C ATOM 145 C LEU A 9 -0.845 -12.762 2.426 1.00 0.00 C ATOM 146 O LEU A 9 -0.206 -11.774 2.776 1.00 0.00 O ATOM 147 CB LEU A 9 -3.312 -13.214 2.524 1.00 0.00 C ATOM 148 CG LEU A 9 -4.723 -12.849 2.040 1.00 0.00 C ATOM 149 CD1 LEU A 9 -4.982 -11.337 2.096 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.020 -13.399 0.642 1.00 0.00 C ATOM 0 H LEU A 9 -2.597 -14.147 0.367 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.376 -11.543 1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.209 -14.299 2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.205 -12.893 3.560 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.412 -13.330 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.992 -11.128 1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.876 -10.987 3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.262 -10.821 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.029 -13.114 0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.303 -12.989 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.939 -14.486 0.654 1.00 0.00 H new ATOM 162 N GLU A 10 -0.428 -14.011 2.636 1.00 0.00 N ATOM 163 CA GLU A 10 0.821 -14.352 3.294 1.00 0.00 C ATOM 164 C GLU A 10 2.001 -13.687 2.582 1.00 0.00 C ATOM 165 O GLU A 10 2.957 -13.261 3.230 1.00 0.00 O ATOM 166 CB GLU A 10 0.974 -15.878 3.409 1.00 0.00 C ATOM 167 CG GLU A 10 0.883 -16.648 2.081 1.00 0.00 C ATOM 168 CD GLU A 10 -0.546 -16.944 1.651 1.00 0.00 C ATOM 169 OE1 GLU A 10 -1.128 -16.029 1.021 1.00 0.00 O ATOM 170 OE2 GLU A 10 -1.020 -18.054 1.961 1.00 0.00 O ATOM 0 H GLU A 10 -0.965 -14.827 2.345 1.00 0.00 H new ATOM 0 HA GLU A 10 0.808 -13.962 4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.936 -16.097 3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.204 -16.254 4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.377 -16.070 1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.428 -17.587 2.176 1.00 0.00 H new ATOM 177 N GLU A 11 1.920 -13.581 1.252 1.00 0.00 N ATOM 178 CA GLU A 11 2.908 -12.884 0.451 1.00 0.00 C ATOM 179 C GLU A 11 2.972 -11.421 0.886 1.00 0.00 C ATOM 180 O GLU A 11 4.015 -10.942 1.322 1.00 0.00 O ATOM 181 CB GLU A 11 2.551 -13.028 -1.031 1.00 0.00 C ATOM 182 CG GLU A 11 3.634 -12.439 -1.945 1.00 0.00 C ATOM 183 CD GLU A 11 4.355 -13.527 -2.726 1.00 0.00 C ATOM 184 OE1 GLU A 11 3.749 -13.997 -3.712 1.00 0.00 O ATOM 185 OE2 GLU A 11 5.481 -13.879 -2.311 1.00 0.00 O ATOM 0 H GLU A 11 1.158 -13.982 0.705 1.00 0.00 H new ATOM 0 HA GLU A 11 3.897 -13.318 0.599 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.410 -14.082 -1.269 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.602 -12.528 -1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.181 -11.731 -2.639 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.354 -11.882 -1.346 1.00 0.00 H new ATOM 192 N ILE A 12 1.858 -10.689 0.814 1.00 0.00 N ATOM 193 CA ILE A 12 1.882 -9.292 1.218 1.00 0.00 C ATOM 194 C ILE A 12 2.344 -9.157 2.674 1.00 0.00 C ATOM 195 O ILE A 12 3.178 -8.310 2.990 1.00 0.00 O ATOM 196 CB ILE A 12 0.515 -8.644 0.972 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.090 -8.690 -0.500 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.573 -7.188 1.417 1.00 0.00 C ATOM 199 CD1 ILE A 12 0.954 -7.850 -1.419 1.00 0.00 C ATOM 0 H ILE A 12 0.954 -11.033 0.489 1.00 0.00 H new ATOM 0 HA ILE A 12 2.607 -8.755 0.607 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.220 -9.210 1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.114 -9.725 -0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.943 -8.351 -0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.395 -6.717 1.246 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.817 -7.141 2.478 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.338 -6.663 0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.588 -7.936 -2.442 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.912 -6.807 -1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.985 -8.202 -1.372 1.00 0.00 H new ATOM 211 N GLN A 13 1.854 -10.030 3.556 1.00 0.00 N ATOM 212 CA GLN A 13 2.227 -10.048 4.961 1.00 0.00 C ATOM 213 C GLN A 13 3.725 -10.323 5.172 1.00 0.00 C ATOM 214 O GLN A 13 4.236 -10.068 6.261 1.00 0.00 O ATOM 215 CB GLN A 13 1.352 -11.065 5.714 1.00 0.00 C ATOM 216 CG GLN A 13 0.675 -10.414 6.925 1.00 0.00 C ATOM 217 CD GLN A 13 -0.175 -11.408 7.711 1.00 0.00 C ATOM 218 OE1 GLN A 13 0.197 -12.565 7.874 1.00 0.00 O ATOM 219 NE2 GLN A 13 -1.320 -10.968 8.227 1.00 0.00 N ATOM 0 H GLN A 13 1.178 -10.752 3.305 1.00 0.00 H new ATOM 0 HA GLN A 13 2.048 -9.053 5.369 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.594 -11.467 5.041 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.964 -11.905 6.043 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.436 -9.990 7.581 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.048 -9.588 6.589 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.608 -10.001 8.078 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.909 -11.598 8.772 1.00 0.00 H new ATOM 228 N LYS A 14 4.434 -10.827 4.155 1.00 0.00 N ATOM 229 CA LYS A 14 5.876 -11.018 4.197 1.00 0.00 C ATOM 230 C LYS A 14 6.608 -9.708 3.891 1.00 0.00 C ATOM 231 O LYS A 14 7.748 -9.538 4.313 1.00 0.00 O ATOM 232 CB LYS A 14 6.281 -12.155 3.247 1.00 0.00 C ATOM 233 CG LYS A 14 6.312 -13.489 3.996 1.00 0.00 C ATOM 234 CD LYS A 14 6.270 -14.639 2.983 1.00 0.00 C ATOM 235 CE LYS A 14 7.082 -15.868 3.431 1.00 0.00 C ATOM 236 NZ LYS A 14 8.009 -16.318 2.372 1.00 0.00 N ATOM 0 H LYS A 14 4.011 -11.115 3.273 1.00 0.00 H new ATOM 0 HA LYS A 14 6.172 -11.311 5.204 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.577 -12.213 2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.262 -11.948 2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.214 -13.557 4.604 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.463 -13.557 4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.234 -14.935 2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.654 -14.286 2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.646 -15.624 4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.403 -16.680 3.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.541 -17.147 2.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.467 -16.573 1.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.672 -15.551 2.142 1.00 0.00 H new ATOM 250 N HIS A 15 5.976 -8.767 3.185 1.00 0.00 N ATOM 251 CA HIS A 15 6.595 -7.505 2.803 1.00 0.00 C ATOM 252 C HIS A 15 6.235 -6.413 3.813 1.00 0.00 C ATOM 253 O HIS A 15 5.513 -5.466 3.496 1.00 0.00 O ATOM 254 CB HIS A 15 6.159 -7.156 1.380 1.00 0.00 C ATOM 255 CG HIS A 15 6.813 -8.024 0.337 1.00 0.00 C ATOM 256 ND1 HIS A 15 8.105 -7.892 -0.117 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.240 -9.068 -0.339 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.300 -8.833 -1.056 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.194 -9.573 -1.227 1.00 0.00 N ATOM 0 H HIS A 15 5.013 -8.865 2.862 1.00 0.00 H new ATOM 0 HA HIS A 15 7.682 -7.592 2.813 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.076 -7.256 1.302 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.398 -6.112 1.178 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.233 -9.435 -0.209 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.222 -8.975 -1.600 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.073 -10.350 -1.876 1.00 0.00 H new ATOM 267 N LYS A 16 6.754 -6.538 5.039 1.00 0.00 N ATOM 268 CA LYS A 16 6.509 -5.558 6.096 1.00 0.00 C ATOM 269 C LYS A 16 7.551 -5.655 7.210 1.00 0.00 C ATOM 270 O LYS A 16 7.206 -5.685 8.389 1.00 0.00 O ATOM 271 CB LYS A 16 5.077 -5.710 6.625 1.00 0.00 C ATOM 272 CG LYS A 16 4.821 -7.088 7.254 1.00 0.00 C ATOM 273 CD LYS A 16 4.345 -6.970 8.708 1.00 0.00 C ATOM 274 CE LYS A 16 4.672 -8.271 9.454 1.00 0.00 C ATOM 275 NZ LYS A 16 3.791 -8.479 10.619 1.00 0.00 N ATOM 0 H LYS A 16 7.350 -7.315 5.323 1.00 0.00 H new ATOM 0 HA LYS A 16 6.610 -4.558 5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.884 -4.935 7.367 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.373 -5.552 5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.072 -7.622 6.668 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.736 -7.680 7.218 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.832 -6.125 9.195 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.272 -6.780 8.738 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.574 -9.115 8.771 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.710 -8.248 9.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.047 -9.369 11.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.903 -7.688 11.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.802 -8.528 10.302 1.00 0.00 H new ATOM 289 N ASP A 17 8.829 -5.711 6.831 1.00 0.00 N ATOM 290 CA ASP A 17 9.925 -5.761 7.787 1.00 0.00 C ATOM 291 C ASP A 17 10.159 -4.364 8.358 1.00 0.00 C ATOM 292 O ASP A 17 9.568 -3.977 9.363 1.00 0.00 O ATOM 293 CB ASP A 17 11.181 -6.325 7.106 1.00 0.00 C ATOM 294 CG ASP A 17 11.056 -7.822 6.885 1.00 0.00 C ATOM 295 OD1 ASP A 17 11.295 -8.560 7.864 1.00 0.00 O ATOM 296 OD2 ASP A 17 10.719 -8.184 5.740 1.00 0.00 O ATOM 0 H ASP A 17 9.128 -5.723 5.856 1.00 0.00 H new ATOM 0 HA ASP A 17 9.677 -6.425 8.615 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.336 -5.825 6.150 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.057 -6.117 7.721 1.00 0.00 H new ATOM 301 N SER A 18 11.045 -3.599 7.716 1.00 0.00 N ATOM 302 CA SER A 18 11.406 -2.252 8.141 1.00 0.00 C ATOM 303 C SER A 18 12.114 -1.534 6.987 1.00 0.00 C ATOM 304 O SER A 18 13.087 -0.813 7.195 1.00 0.00 O ATOM 305 CB SER A 18 12.291 -2.332 9.397 1.00 0.00 C ATOM 306 OG SER A 18 12.246 -1.125 10.139 1.00 0.00 O ATOM 0 H SER A 18 11.536 -3.905 6.876 1.00 0.00 H new ATOM 0 HA SER A 18 10.515 -1.679 8.399 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.960 -3.159 10.025 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.320 -2.544 9.106 1.00 0.00 H new ATOM 0 HG SER A 18 12.817 -1.207 10.932 1.00 0.00 H new ATOM 312 N LYS A 19 11.653 -1.771 5.754 1.00 0.00 N ATOM 313 CA LYS A 19 12.216 -1.158 4.560 1.00 0.00 C ATOM 314 C LYS A 19 11.169 -1.228 3.451 1.00 0.00 C ATOM 315 O LYS A 19 10.539 -0.219 3.130 1.00 0.00 O ATOM 316 CB LYS A 19 13.566 -1.817 4.198 1.00 0.00 C ATOM 317 CG LYS A 19 14.299 -1.096 3.053 1.00 0.00 C ATOM 318 CD LYS A 19 14.119 -1.791 1.692 1.00 0.00 C ATOM 319 CE LYS A 19 15.404 -2.508 1.247 1.00 0.00 C ATOM 320 NZ LYS A 19 15.158 -3.438 0.125 1.00 0.00 N ATOM 0 H LYS A 19 10.873 -2.399 5.562 1.00 0.00 H new ATOM 0 HA LYS A 19 12.450 -0.106 4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.206 -1.830 5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.393 -2.855 3.914 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.933 -0.072 2.983 1.00 0.00 H new ATOM 0 HG3 LYS A 19 15.362 -1.039 3.288 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.304 -2.511 1.756 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.835 -1.054 0.941 1.00 0.00 H new ATOM 0 HE2 LYS A 19 16.147 -1.769 0.949 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.822 -3.059 2.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.050 -3.901 -0.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.468 -4.159 0.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 14.783 -2.909 -0.688 1.00 0.00 H new ATOM 334 N SER A 20 10.951 -2.424 2.895 1.00 0.00 N ATOM 335 CA SER A 20 10.024 -2.633 1.793 1.00 0.00 C ATOM 336 C SER A 20 8.572 -2.558 2.268 1.00 0.00 C ATOM 337 O SER A 20 7.881 -3.571 2.340 1.00 0.00 O ATOM 338 CB SER A 20 10.345 -3.943 1.065 1.00 0.00 C ATOM 339 OG SER A 20 11.621 -3.832 0.455 1.00 0.00 O ATOM 0 H SER A 20 11.419 -3.276 3.204 1.00 0.00 H new ATOM 0 HA SER A 20 10.149 -1.826 1.071 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.335 -4.776 1.768 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.585 -4.151 0.312 1.00 0.00 H new ATOM 0 HG SER A 20 11.834 -4.667 -0.011 1.00 0.00 H new ATOM 345 N THR A 21 8.130 -1.348 2.608 1.00 0.00 N ATOM 346 CA THR A 21 6.809 -1.040 3.100 1.00 0.00 C ATOM 347 C THR A 21 5.784 -1.213 1.977 1.00 0.00 C ATOM 348 O THR A 21 5.650 -0.350 1.105 1.00 0.00 O ATOM 349 CB THR A 21 6.839 0.393 3.646 1.00 0.00 C ATOM 350 OG1 THR A 21 7.859 0.506 4.623 1.00 0.00 O ATOM 351 CG2 THR A 21 5.498 0.734 4.288 1.00 0.00 C ATOM 0 H THR A 21 8.723 -0.521 2.540 1.00 0.00 H new ATOM 0 HA THR A 21 6.513 -1.717 3.901 1.00 0.00 H new ATOM 0 HB THR A 21 7.034 1.081 2.823 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.778 1.368 5.083 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.528 1.753 4.673 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.706 0.650 3.543 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.300 0.042 5.107 1.00 0.00 H new ATOM 359 N TRP A 22 5.060 -2.332 2.011 1.00 0.00 N ATOM 360 CA TRP A 22 3.950 -2.604 1.114 1.00 0.00 C ATOM 361 C TRP A 22 2.631 -2.367 1.830 1.00 0.00 C ATOM 362 O TRP A 22 2.561 -2.439 3.057 1.00 0.00 O ATOM 363 CB TRP A 22 4.020 -4.042 0.637 1.00 0.00 C ATOM 364 CG TRP A 22 5.058 -4.330 -0.395 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.159 -3.603 -0.697 1.00 0.00 C ATOM 366 CD2 TRP A 22 5.049 -5.439 -1.324 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.819 -4.186 -1.757 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.197 -5.352 -2.161 1.00 0.00 C ATOM 369 CE3 TRP A 22 4.153 -6.498 -1.543 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.460 -6.306 -3.154 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.413 -7.469 -2.523 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.577 -7.389 -3.308 1.00 0.00 C ATOM 0 H TRP A 22 5.236 -3.085 2.677 1.00 0.00 H new ATOM 0 HA TRP A 22 4.014 -1.934 0.257 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.203 -4.683 1.499 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.046 -4.320 0.234 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.472 -2.704 -0.186 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.661 -3.805 -2.189 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.253 -6.566 -0.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.327 -6.210 -3.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.717 -8.280 -2.675 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.793 -8.162 -4.031 1.00 0.00 H new ATOM 383 N VAL A 23 1.588 -2.115 1.046 1.00 0.00 N ATOM 384 CA VAL A 23 0.244 -1.829 1.512 1.00 0.00 C ATOM 385 C VAL A 23 -0.739 -2.181 0.396 1.00 0.00 C ATOM 386 O VAL A 23 -0.348 -2.251 -0.771 1.00 0.00 O ATOM 387 CB VAL A 23 0.102 -0.348 1.886 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.664 -0.010 3.271 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.726 0.570 0.836 1.00 0.00 C ATOM 0 H VAL A 23 1.663 -2.105 0.029 1.00 0.00 H new ATOM 0 HA VAL A 23 0.034 -2.422 2.402 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.973 -0.170 1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.530 1.053 3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.137 -0.589 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.726 -0.253 3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.602 1.609 1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.788 0.344 0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.233 0.413 -0.124 1.00 0.00 H new ATOM 399 N ILE A 24 -2.006 -2.392 0.764 1.00 0.00 N ATOM 400 CA ILE A 24 -3.094 -2.718 -0.136 1.00 0.00 C ATOM 401 C ILE A 24 -4.206 -1.693 0.052 1.00 0.00 C ATOM 402 O ILE A 24 -4.804 -1.646 1.126 1.00 0.00 O ATOM 403 CB ILE A 24 -3.547 -4.173 0.059 1.00 0.00 C ATOM 404 CG1 ILE A 24 -4.036 -4.509 1.474 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.359 -5.078 -0.270 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.544 -4.758 1.561 1.00 0.00 C ATOM 0 H ILE A 24 -2.304 -2.336 1.738 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.768 -2.659 -1.174 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.402 -4.328 -0.600 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.509 -5.394 1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.773 -3.690 2.144 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.649 -6.121 -0.141 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.050 -4.912 -1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.529 -4.847 0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.816 -4.990 2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.079 -3.866 1.236 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.812 -5.596 0.918 1.00 0.00 H new ATOM 418 N LEU A 25 -4.413 -0.813 -0.937 1.00 0.00 N ATOM 419 CA LEU A 25 -5.428 0.229 -0.854 1.00 0.00 C ATOM 420 C LEU A 25 -6.510 -0.050 -1.897 1.00 0.00 C ATOM 421 O LEU A 25 -6.254 0.071 -3.093 1.00 0.00 O ATOM 422 CB LEU A 25 -4.865 1.660 -0.936 1.00 0.00 C ATOM 423 CG LEU A 25 -3.556 1.923 -0.170 1.00 0.00 C ATOM 424 CD1 LEU A 25 -3.449 3.412 0.106 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.448 1.261 1.202 1.00 0.00 C ATOM 0 H LEU A 25 -3.882 -0.808 -1.808 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.873 0.189 0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.702 1.904 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.624 2.348 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.777 1.509 -0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.526 3.616 0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.443 3.957 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.301 3.733 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.488 1.512 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.254 1.618 1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.525 0.179 1.091 1.00 0.00 H new ATOM 437 N HIS A 26 -7.707 -0.453 -1.454 1.00 0.00 N ATOM 438 CA HIS A 26 -8.842 -0.766 -2.323 1.00 0.00 C ATOM 439 C HIS A 26 -8.491 -1.878 -3.315 1.00 0.00 C ATOM 440 O HIS A 26 -8.506 -1.668 -4.526 1.00 0.00 O ATOM 441 CB HIS A 26 -9.369 0.492 -3.035 1.00 0.00 C ATOM 442 CG HIS A 26 -10.053 1.456 -2.108 1.00 0.00 C ATOM 443 ND1 HIS A 26 -11.414 1.624 -1.975 1.00 0.00 N ATOM 444 CD2 HIS A 26 -9.438 2.312 -1.237 1.00 0.00 C ATOM 445 CE1 HIS A 26 -11.612 2.567 -1.039 1.00 0.00 C ATOM 446 NE2 HIS A 26 -10.437 3.005 -0.559 1.00 0.00 N ATOM 0 H HIS A 26 -7.915 -0.572 -0.463 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.650 -1.138 -1.693 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.538 0.998 -3.526 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -10.067 0.193 -3.817 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -12.138 1.125 -2.492 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.373 2.429 -1.100 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.580 2.923 -0.718 1.00 0.00 H new ATOM 454 N HIS A 27 -8.198 -3.073 -2.787 1.00 0.00 N ATOM 455 CA HIS A 27 -7.840 -4.249 -3.578 1.00 0.00 C ATOM 456 C HIS A 27 -6.778 -3.913 -4.629 1.00 0.00 C ATOM 457 O HIS A 27 -6.880 -4.286 -5.795 1.00 0.00 O ATOM 458 CB HIS A 27 -9.100 -4.907 -4.179 1.00 0.00 C ATOM 459 CG HIS A 27 -9.680 -5.983 -3.300 1.00 0.00 C ATOM 460 ND1 HIS A 27 -9.009 -7.106 -2.875 1.00 0.00 N ATOM 461 CD2 HIS A 27 -10.984 -6.104 -2.900 1.00 0.00 C ATOM 462 CE1 HIS A 27 -9.883 -7.876 -2.211 1.00 0.00 C ATOM 463 NE2 HIS A 27 -11.100 -7.307 -2.197 1.00 0.00 N ATOM 0 H HIS A 27 -8.204 -3.249 -1.782 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.385 -4.987 -2.917 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.856 -4.141 -4.352 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.851 -5.334 -5.150 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.779 -5.398 -3.093 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.642 -8.823 -1.751 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.943 -7.679 -1.760 1.00 0.00 H new ATOM 471 N LYS A 28 -5.723 -3.223 -4.199 1.00 0.00 N ATOM 472 CA LYS A 28 -4.652 -2.831 -5.089 1.00 0.00 C ATOM 473 C LYS A 28 -3.385 -2.698 -4.261 1.00 0.00 C ATOM 474 O LYS A 28 -3.386 -1.959 -3.279 1.00 0.00 O ATOM 475 CB LYS A 28 -5.008 -1.505 -5.758 1.00 0.00 C ATOM 476 CG LYS A 28 -4.546 -1.493 -7.218 1.00 0.00 C ATOM 477 CD LYS A 28 -5.712 -1.923 -8.126 1.00 0.00 C ATOM 478 CE LYS A 28 -6.068 -0.834 -9.147 1.00 0.00 C ATOM 479 NZ LYS A 28 -5.426 -1.105 -10.449 1.00 0.00 N ATOM 0 H LYS A 28 -5.595 -2.926 -3.232 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.501 -3.574 -5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.085 -1.346 -5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.541 -0.682 -5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.204 -0.496 -7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.700 -2.168 -7.349 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.445 -2.840 -8.651 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.586 -2.148 -7.514 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.150 -0.787 -9.273 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.748 0.139 -8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.680 -0.356 -11.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.393 -1.127 -10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.752 -2.024 -10.812 1.00 0.00 H new ATOM 493 N VAL A 29 -2.338 -3.433 -4.629 1.00 0.00 N ATOM 494 CA VAL A 29 -1.109 -3.493 -3.868 1.00 0.00 C ATOM 495 C VAL A 29 -0.151 -2.433 -4.405 1.00 0.00 C ATOM 496 O VAL A 29 0.127 -2.379 -5.609 1.00 0.00 O ATOM 497 CB VAL A 29 -0.506 -4.908 -3.889 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.678 -4.908 -2.910 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.522 -5.998 -3.498 1.00 0.00 C ATOM 0 H VAL A 29 -2.327 -4.006 -5.473 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.309 -3.277 -2.819 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.191 -5.146 -4.905 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.137 -5.897 -2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.415 -4.171 -3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.324 -4.656 -1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.039 -6.974 -3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.889 -5.808 -2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.358 -5.983 -4.197 1.00 0.00 H new ATOM 509 N TYR A 30 0.346 -1.594 -3.496 1.00 0.00 N ATOM 510 CA TYR A 30 1.248 -0.503 -3.808 1.00 0.00 C ATOM 511 C TYR A 30 2.559 -0.703 -3.057 1.00 0.00 C ATOM 512 O TYR A 30 2.543 -1.103 -1.890 1.00 0.00 O ATOM 513 CB TYR A 30 0.585 0.825 -3.435 1.00 0.00 C ATOM 514 CG TYR A 30 -0.719 1.067 -4.165 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.703 1.381 -5.530 1.00 0.00 C ATOM 516 CD2 TYR A 30 -1.948 0.874 -3.517 1.00 0.00 C ATOM 517 CE1 TYR A 30 -1.903 1.517 -6.249 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.143 1.135 -4.205 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.126 1.455 -5.571 1.00 0.00 C ATOM 520 OH TYR A 30 -4.290 1.707 -6.238 1.00 0.00 O ATOM 0 H TYR A 30 0.123 -1.662 -2.503 1.00 0.00 H new ATOM 0 HA TYR A 30 1.467 -0.485 -4.876 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.401 0.843 -2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.273 1.641 -3.654 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.241 1.520 -6.035 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.974 0.527 -2.495 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.882 1.668 -7.318 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.085 1.089 -3.678 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.046 1.621 -5.621 1.00 0.00 H new ATOM 530 N ASP A 31 3.682 -0.418 -3.725 1.00 0.00 N ATOM 531 CA ASP A 31 4.975 -0.325 -3.064 1.00 0.00 C ATOM 532 C ASP A 31 5.196 1.137 -2.719 1.00 0.00 C ATOM 533 O ASP A 31 5.155 1.983 -3.609 1.00 0.00 O ATOM 534 CB ASP A 31 6.110 -0.836 -3.954 1.00 0.00 C ATOM 535 CG ASP A 31 7.441 -0.679 -3.238 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.917 0.472 -3.131 1.00 0.00 O ATOM 537 OD2 ASP A 31 7.946 -1.693 -2.707 1.00 0.00 O ATOM 0 H ASP A 31 3.714 -0.248 -4.730 1.00 0.00 H new ATOM 0 HA ASP A 31 4.976 -0.949 -2.171 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.944 -1.884 -4.204 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.125 -0.282 -4.893 1.00 0.00 H new ATOM 542 N LEU A 32 5.408 1.438 -1.437 1.00 0.00 N ATOM 543 CA LEU A 32 5.704 2.794 -1.004 1.00 0.00 C ATOM 544 C LEU A 32 7.106 2.837 -0.398 1.00 0.00 C ATOM 545 O LEU A 32 7.402 3.683 0.445 1.00 0.00 O ATOM 546 CB LEU A 32 4.606 3.258 -0.034 1.00 0.00 C ATOM 547 CG LEU A 32 3.180 3.141 -0.612 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.197 3.541 0.487 1.00 0.00 C ATOM 549 CD2 LEU A 32 2.879 3.956 -1.886 1.00 0.00 C ATOM 0 H LEU A 32 5.379 0.754 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 32 5.705 3.488 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.668 2.668 0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.793 4.296 0.243 1.00 0.00 H new ATOM 0 HG LEU A 32 3.078 2.104 -0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.178 3.468 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.315 2.874 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.396 4.567 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.846 3.788 -2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.029 5.016 -1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.549 3.641 -2.686 1.00 0.00 H new ATOM 561 N THR A 33 8.000 1.958 -0.858 1.00 0.00 N ATOM 562 CA THR A 33 9.316 1.780 -0.270 1.00 0.00 C ATOM 563 C THR A 33 10.144 3.053 -0.419 1.00 0.00 C ATOM 564 O THR A 33 10.728 3.535 0.549 1.00 0.00 O ATOM 565 CB THR A 33 9.984 0.553 -0.909 1.00 0.00 C ATOM 566 OG1 THR A 33 9.199 -0.588 -0.625 1.00 0.00 O ATOM 567 CG2 THR A 33 11.393 0.322 -0.361 1.00 0.00 C ATOM 0 H THR A 33 7.822 1.348 -1.656 1.00 0.00 H new ATOM 0 HA THR A 33 9.233 1.596 0.801 1.00 0.00 H new ATOM 0 HB THR A 33 10.060 0.728 -1.982 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.115 -1.136 -1.433 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.830 -0.555 -0.839 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.012 1.195 -0.569 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.343 0.161 0.716 1.00 0.00 H new ATOM 575 N LYS A 34 10.181 3.624 -1.626 1.00 0.00 N ATOM 576 CA LYS A 34 10.858 4.888 -1.880 1.00 0.00 C ATOM 577 C LYS A 34 9.876 6.058 -1.802 1.00 0.00 C ATOM 578 O LYS A 34 10.148 7.116 -2.360 1.00 0.00 O ATOM 579 CB LYS A 34 11.543 4.820 -3.249 1.00 0.00 C ATOM 580 CG LYS A 34 12.636 3.742 -3.275 1.00 0.00 C ATOM 581 CD LYS A 34 14.023 4.312 -3.605 1.00 0.00 C ATOM 582 CE LYS A 34 14.569 5.212 -2.480 1.00 0.00 C ATOM 583 NZ LYS A 34 16.045 5.182 -2.414 1.00 0.00 N ATOM 0 H LYS A 34 9.741 3.219 -2.452 1.00 0.00 H new ATOM 0 HA LYS A 34 11.615 5.057 -1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.801 4.607 -4.019 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.980 5.790 -3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.673 3.245 -2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.375 2.983 -4.013 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.718 3.491 -3.780 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.967 4.885 -4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.234 6.237 -2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.157 4.888 -1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.371 5.801 -1.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.365 4.209 -2.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.440 5.515 -3.317 1.00 0.00 H new ATOM 597 N PHE A 35 8.745 5.878 -1.111 1.00 0.00 N ATOM 598 CA PHE A 35 7.743 6.920 -0.951 1.00 0.00 C ATOM 599 C PHE A 35 7.611 7.323 0.516 1.00 0.00 C ATOM 600 O PHE A 35 6.862 8.234 0.838 1.00 0.00 O ATOM 601 CB PHE A 35 6.422 6.426 -1.535 1.00 0.00 C ATOM 602 CG PHE A 35 5.293 7.434 -1.557 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.471 8.710 -2.126 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.047 7.088 -1.013 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.398 9.613 -2.187 1.00 0.00 C ATOM 606 CE2 PHE A 35 2.977 7.985 -1.072 1.00 0.00 C ATOM 607 CZ PHE A 35 3.161 9.264 -1.624 1.00 0.00 C ATOM 0 H PHE A 35 8.505 5.001 -0.649 1.00 0.00 H new ATOM 0 HA PHE A 35 8.047 7.816 -1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.602 6.088 -2.555 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.097 5.557 -0.964 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.437 8.995 -2.517 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.914 6.123 -0.546 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.524 10.573 -2.666 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.008 7.695 -0.693 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.351 9.978 -1.615 1.00 0.00 H new ATOM 617 N LEU A 36 8.346 6.668 1.417 1.00 0.00 N ATOM 618 CA LEU A 36 8.222 6.899 2.843 1.00 0.00 C ATOM 619 C LEU A 36 8.419 8.380 3.192 1.00 0.00 C ATOM 620 O LEU A 36 7.572 8.980 3.846 1.00 0.00 O ATOM 621 CB LEU A 36 9.204 5.978 3.580 1.00 0.00 C ATOM 622 CG LEU A 36 8.804 4.491 3.616 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.740 3.722 4.560 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.346 4.260 4.040 1.00 0.00 C ATOM 0 H LEU A 36 9.042 5.964 1.171 1.00 0.00 H new ATOM 0 HA LEU A 36 7.211 6.655 3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.183 6.064 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.313 6.334 4.605 1.00 0.00 H new ATOM 0 HG LEU A 36 8.898 4.121 2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.452 2.671 4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.767 3.810 4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.666 4.139 5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.133 3.191 4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.189 4.664 5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.679 4.760 3.338 1.00 0.00 H new ATOM 636 N GLU A 37 9.526 8.973 2.738 1.00 0.00 N ATOM 637 CA GLU A 37 9.810 10.390 2.951 1.00 0.00 C ATOM 638 C GLU A 37 9.006 11.253 1.968 1.00 0.00 C ATOM 639 O GLU A 37 8.361 12.218 2.363 1.00 0.00 O ATOM 640 CB GLU A 37 11.330 10.630 2.847 1.00 0.00 C ATOM 641 CG GLU A 37 11.931 11.111 4.177 1.00 0.00 C ATOM 642 CD GLU A 37 11.718 12.605 4.387 1.00 0.00 C ATOM 643 OE1 GLU A 37 10.636 12.961 4.897 1.00 0.00 O ATOM 644 OE2 GLU A 37 12.650 13.358 4.030 1.00 0.00 O ATOM 0 H GLU A 37 10.249 8.482 2.213 1.00 0.00 H new ATOM 0 HA GLU A 37 9.496 10.686 3.952 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.822 9.707 2.540 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.528 11.370 2.072 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.478 10.560 5.001 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.998 10.890 4.195 1.00 0.00 H new ATOM 651 N GLU A 38 9.041 10.895 0.678 1.00 0.00 N ATOM 652 CA GLU A 38 8.354 11.638 -0.380 1.00 0.00 C ATOM 653 C GLU A 38 6.875 11.888 -0.050 1.00 0.00 C ATOM 654 O GLU A 38 6.360 12.969 -0.327 1.00 0.00 O ATOM 655 CB GLU A 38 8.508 10.902 -1.723 1.00 0.00 C ATOM 656 CG GLU A 38 9.671 11.409 -2.596 1.00 0.00 C ATOM 657 CD GLU A 38 9.175 12.058 -3.887 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.252 12.894 -3.788 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.718 11.691 -4.951 1.00 0.00 O ATOM 0 H GLU A 38 9.550 10.078 0.340 1.00 0.00 H new ATOM 0 HA GLU A 38 8.823 12.619 -0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.653 9.840 -1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.579 10.998 -2.285 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.261 12.130 -2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.332 10.577 -2.839 1.00 0.00 H new ATOM 666 N HIS A 39 6.182 10.897 0.521 1.00 0.00 N ATOM 667 CA HIS A 39 4.780 11.000 0.908 1.00 0.00 C ATOM 668 C HIS A 39 4.515 12.272 1.717 1.00 0.00 C ATOM 669 O HIS A 39 4.958 12.355 2.866 1.00 0.00 O ATOM 670 CB HIS A 39 4.363 9.762 1.704 1.00 0.00 C ATOM 671 CG HIS A 39 2.970 9.833 2.288 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.683 9.956 3.621 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.778 9.711 1.628 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.345 9.919 3.752 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.743 9.731 2.566 1.00 0.00 N ATOM 0 H HIS A 39 6.592 9.986 0.729 1.00 0.00 H new ATOM 0 HA HIS A 39 4.181 11.057 -0.001 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.427 8.889 1.054 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.076 9.609 2.514 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.360 10.057 4.377 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.657 9.615 0.559 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.822 10.027 4.691 1.00 0.00 H new ATOM 683 N PRO A 40 3.761 13.239 1.158 1.00 0.00 N ATOM 684 CA PRO A 40 3.472 14.500 1.816 1.00 0.00 C ATOM 685 C PRO A 40 2.481 14.253 2.956 1.00 0.00 C ATOM 686 O PRO A 40 1.285 14.514 2.850 1.00 0.00 O ATOM 687 CB PRO A 40 2.956 15.435 0.720 1.00 0.00 C ATOM 688 CG PRO A 40 2.385 14.500 -0.342 1.00 0.00 C ATOM 689 CD PRO A 40 3.138 13.185 -0.157 1.00 0.00 C ATOM 0 HA PRO A 40 4.340 14.963 2.285 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.193 16.113 1.103 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.758 16.053 0.315 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.312 14.362 -0.211 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.534 14.903 -1.344 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.458 12.336 -0.228 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.890 13.057 -0.936 1.00 0.00 H new ATOM 697 N GLY A 41 3.017 13.716 4.051 1.00 0.00 N ATOM 698 CA GLY A 41 2.281 13.235 5.199 1.00 0.00 C ATOM 699 C GLY A 41 3.221 12.533 6.179 1.00 0.00 C ATOM 700 O GLY A 41 3.014 12.645 7.385 1.00 0.00 O ATOM 0 H GLY A 41 4.025 13.603 4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.784 14.068 5.696 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.501 12.545 4.876 1.00 0.00 H new ATOM 704 N GLY A 42 4.250 11.822 5.686 1.00 0.00 N ATOM 705 CA GLY A 42 5.196 11.125 6.554 1.00 0.00 C ATOM 706 C GLY A 42 5.451 9.684 6.158 1.00 0.00 C ATOM 707 O GLY A 42 4.733 9.144 5.319 1.00 0.00 O ATOM 0 H GLY A 42 4.442 11.719 4.690 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.143 11.665 6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.820 11.149 7.577 1.00 0.00 H new ATOM 711 N GLU A 43 6.417 9.069 6.851 1.00 0.00 N ATOM 712 CA GLU A 43 6.775 7.665 6.723 1.00 0.00 C ATOM 713 C GLU A 43 5.984 6.840 7.742 1.00 0.00 C ATOM 714 O GLU A 43 5.381 5.827 7.391 1.00 0.00 O ATOM 715 CB GLU A 43 8.294 7.512 6.985 1.00 0.00 C ATOM 716 CG GLU A 43 8.824 6.060 7.142 1.00 0.00 C ATOM 717 CD GLU A 43 8.926 5.493 8.567 1.00 0.00 C ATOM 718 OE1 GLU A 43 8.840 6.311 9.504 1.00 0.00 O ATOM 719 OE2 GLU A 43 9.126 4.256 8.694 1.00 0.00 O ATOM 0 H GLU A 43 6.987 9.560 7.540 1.00 0.00 H new ATOM 0 HA GLU A 43 6.538 7.309 5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.832 7.985 6.164 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.542 8.066 7.890 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.177 5.401 6.563 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.814 6.012 6.689 1.00 0.00 H new ATOM 726 N GLU A 44 5.997 7.265 9.011 1.00 0.00 N ATOM 727 CA GLU A 44 5.519 6.441 10.120 1.00 0.00 C ATOM 728 C GLU A 44 4.064 6.040 9.903 1.00 0.00 C ATOM 729 O GLU A 44 3.719 4.867 9.984 1.00 0.00 O ATOM 730 CB GLU A 44 5.690 7.153 11.470 1.00 0.00 C ATOM 731 CG GLU A 44 5.840 6.109 12.588 1.00 0.00 C ATOM 732 CD GLU A 44 5.561 6.702 13.961 1.00 0.00 C ATOM 733 OE1 GLU A 44 4.415 7.167 14.149 1.00 0.00 O ATOM 734 OE2 GLU A 44 6.495 6.692 14.793 1.00 0.00 O ATOM 0 H GLU A 44 6.337 8.184 9.294 1.00 0.00 H new ATOM 0 HA GLU A 44 6.129 5.538 10.146 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.567 7.800 11.443 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.829 7.791 11.668 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.156 5.280 12.405 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.850 5.699 12.568 1.00 0.00 H new ATOM 741 N VAL A 45 3.224 7.019 9.551 1.00 0.00 N ATOM 742 CA VAL A 45 1.841 6.799 9.169 1.00 0.00 C ATOM 743 C VAL A 45 1.713 5.638 8.170 1.00 0.00 C ATOM 744 O VAL A 45 0.761 4.873 8.240 1.00 0.00 O ATOM 745 CB VAL A 45 1.233 8.112 8.636 1.00 0.00 C ATOM 746 CG1 VAL A 45 0.870 9.054 9.792 1.00 0.00 C ATOM 747 CG2 VAL A 45 2.157 8.866 7.667 1.00 0.00 C ATOM 0 H VAL A 45 3.499 8.001 9.526 1.00 0.00 H new ATOM 0 HA VAL A 45 1.270 6.502 10.049 1.00 0.00 H new ATOM 0 HB VAL A 45 0.341 7.815 8.085 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.443 9.973 9.392 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.142 8.569 10.442 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.767 9.290 10.365 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.665 9.779 7.332 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.087 9.120 8.175 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.375 8.234 6.806 1.00 0.00 H new ATOM 757 N LEU A 46 2.674 5.464 7.259 1.00 0.00 N ATOM 758 CA LEU A 46 2.641 4.394 6.269 1.00 0.00 C ATOM 759 C LEU A 46 3.147 3.098 6.869 1.00 0.00 C ATOM 760 O LEU A 46 2.594 2.024 6.635 1.00 0.00 O ATOM 761 CB LEU A 46 3.395 4.743 4.978 1.00 0.00 C ATOM 762 CG LEU A 46 3.396 6.243 4.697 1.00 0.00 C ATOM 763 CD1 LEU A 46 4.156 6.540 3.405 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.989 6.851 4.631 1.00 0.00 C ATOM 0 H LEU A 46 3.496 6.064 7.190 1.00 0.00 H new ATOM 0 HA LEU A 46 1.598 4.264 5.981 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.423 4.389 5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.937 4.218 4.139 1.00 0.00 H new ATOM 0 HG LEU A 46 3.900 6.713 5.541 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.149 7.614 3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.186 6.196 3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.677 6.023 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.063 7.919 4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.421 6.369 3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.481 6.697 5.583 1.00 0.00 H new ATOM 776 N ARG A 47 4.205 3.225 7.663 1.00 0.00 N ATOM 777 CA ARG A 47 4.861 2.113 8.313 1.00 0.00 C ATOM 778 C ARG A 47 4.125 1.675 9.594 1.00 0.00 C ATOM 779 O ARG A 47 4.645 0.845 10.336 1.00 0.00 O ATOM 780 CB ARG A 47 6.335 2.505 8.521 1.00 0.00 C ATOM 781 CG ARG A 47 7.297 1.359 8.188 1.00 0.00 C ATOM 782 CD ARG A 47 7.893 0.771 9.463 1.00 0.00 C ATOM 783 NE ARG A 47 9.074 1.545 9.876 1.00 0.00 N ATOM 784 CZ ARG A 47 9.917 1.100 10.820 1.00 0.00 C ATOM 785 NH1 ARG A 47 9.526 0.112 11.639 1.00 0.00 N ATOM 786 NH2 ARG A 47 11.139 1.625 10.937 1.00 0.00 N ATOM 0 H ARG A 47 4.634 4.126 7.872 1.00 0.00 H new ATOM 0 HA ARG A 47 4.830 1.220 7.689 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.571 3.367 7.896 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.484 2.812 9.556 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.768 0.582 7.635 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.095 1.723 7.541 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.148 0.779 10.258 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.171 -0.270 9.297 1.00 0.00 H new ATOM 0 HE ARG A 47 9.257 2.445 9.432 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.595 -0.294 11.541 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.159 -0.234 12.360 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.437 2.369 10.306 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.775 1.282 11.657 1.00 0.00 H new ATOM 800 N GLU A 48 2.913 2.195 9.831 1.00 0.00 N ATOM 801 CA GLU A 48 2.075 1.866 10.975 1.00 0.00 C ATOM 802 C GLU A 48 1.490 0.469 10.817 1.00 0.00 C ATOM 803 O GLU A 48 1.709 -0.412 11.645 1.00 0.00 O ATOM 804 CB GLU A 48 0.966 2.928 11.139 1.00 0.00 C ATOM 805 CG GLU A 48 1.157 3.780 12.399 1.00 0.00 C ATOM 806 CD GLU A 48 0.735 3.015 13.647 1.00 0.00 C ATOM 807 OE1 GLU A 48 -0.465 3.110 13.985 1.00 0.00 O ATOM 808 OE2 GLU A 48 1.606 2.331 14.224 1.00 0.00 O ATOM 0 H GLU A 48 2.482 2.877 9.207 1.00 0.00 H new ATOM 0 HA GLU A 48 2.683 1.870 11.880 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.955 3.577 10.263 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.004 2.433 11.182 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.202 4.076 12.486 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.572 4.696 12.315 1.00 0.00 H new ATOM 815 N GLN A 49 0.740 0.270 9.733 1.00 0.00 N ATOM 816 CA GLN A 49 0.181 -1.027 9.412 1.00 0.00 C ATOM 817 C GLN A 49 1.217 -1.761 8.575 1.00 0.00 C ATOM 818 O GLN A 49 1.872 -2.685 9.057 1.00 0.00 O ATOM 819 CB GLN A 49 -1.169 -0.853 8.695 1.00 0.00 C ATOM 820 CG GLN A 49 -2.271 -0.429 9.679 1.00 0.00 C ATOM 821 CD GLN A 49 -2.677 -1.542 10.647 1.00 0.00 C ATOM 822 OE1 GLN A 49 -2.258 -2.689 10.523 1.00 0.00 O ATOM 823 NE2 GLN A 49 -3.498 -1.215 11.640 1.00 0.00 N ATOM 0 H GLN A 49 0.509 1.003 9.062 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.032 -1.617 10.304 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.072 -0.104 7.909 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.450 -1.789 8.211 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.926 0.433 10.251 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.148 -0.108 9.116 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.836 -0.257 11.727 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.790 -1.922 12.314 1.00 0.00 H new ATOM 832 N ALA A 50 1.387 -1.308 7.329 1.00 0.00 N ATOM 833 CA ALA A 50 2.175 -1.993 6.317 1.00 0.00 C ATOM 834 C ALA A 50 1.758 -3.465 6.144 1.00 0.00 C ATOM 835 O ALA A 50 0.916 -3.997 6.863 1.00 0.00 O ATOM 836 CB ALA A 50 3.663 -1.832 6.635 1.00 0.00 C ATOM 0 H ALA A 50 0.970 -0.438 6.996 1.00 0.00 H new ATOM 0 HA ALA A 50 1.980 -1.529 5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.255 -2.345 5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.921 -0.773 6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.875 -2.263 7.614 1.00 0.00 H new ATOM 842 N GLY A 51 2.324 -4.141 5.147 1.00 0.00 N ATOM 843 CA GLY A 51 2.009 -5.537 4.875 1.00 0.00 C ATOM 844 C GLY A 51 0.524 -5.740 4.609 1.00 0.00 C ATOM 845 O GLY A 51 -0.027 -6.789 4.934 1.00 0.00 O ATOM 0 H GLY A 51 3.010 -3.737 4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.583 -5.878 4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.314 -6.150 5.723 1.00 0.00 H new ATOM 849 N GLY A 52 -0.107 -4.740 3.993 1.00 0.00 N ATOM 850 CA GLY A 52 -1.512 -4.716 3.705 1.00 0.00 C ATOM 851 C GLY A 52 -2.207 -3.795 4.693 1.00 0.00 C ATOM 852 O GLY A 52 -1.600 -2.866 5.225 1.00 0.00 O ATOM 0 H GLY A 52 0.379 -3.901 3.676 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.681 -4.370 2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.927 -5.722 3.773 1.00 0.00 H new ATOM 856 N ASP A 53 -3.496 -4.063 4.867 1.00 0.00 N ATOM 857 CA ASP A 53 -4.430 -3.494 5.825 1.00 0.00 C ATOM 858 C ASP A 53 -4.199 -2.013 6.102 1.00 0.00 C ATOM 859 O ASP A 53 -4.224 -1.566 7.246 1.00 0.00 O ATOM 860 CB ASP A 53 -4.460 -4.366 7.090 1.00 0.00 C ATOM 861 CG ASP A 53 -5.055 -5.747 6.833 1.00 0.00 C ATOM 862 OD1 ASP A 53 -5.027 -6.176 5.655 1.00 0.00 O ATOM 863 OD2 ASP A 53 -5.520 -6.354 7.821 1.00 0.00 O ATOM 0 H ASP A 53 -3.958 -4.756 4.278 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.425 -3.510 5.380 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.446 -4.477 7.475 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.041 -3.861 7.862 1.00 0.00 H new ATOM 868 N ALA A 54 -4.030 -1.234 5.030 1.00 0.00 N ATOM 869 CA ALA A 54 -3.838 0.195 5.124 1.00 0.00 C ATOM 870 C ALA A 54 -5.065 0.938 4.611 1.00 0.00 C ATOM 871 O ALA A 54 -5.206 2.112 4.941 1.00 0.00 O ATOM 872 CB ALA A 54 -2.581 0.568 4.358 1.00 0.00 C ATOM 0 H ALA A 54 -4.024 -1.589 4.074 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.711 0.489 6.166 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.423 1.645 4.420 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.725 0.050 4.790 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.692 0.277 3.313 1.00 0.00 H new ATOM 878 N THR A 55 -5.959 0.292 3.841 1.00 0.00 N ATOM 879 CA THR A 55 -7.214 0.913 3.422 1.00 0.00 C ATOM 880 C THR A 55 -7.893 1.594 4.599 1.00 0.00 C ATOM 881 O THR A 55 -8.170 2.781 4.503 1.00 0.00 O ATOM 882 CB THR A 55 -8.176 -0.075 2.733 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.737 -0.290 1.416 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.593 0.498 2.604 1.00 0.00 C ATOM 0 H THR A 55 -5.829 -0.660 3.500 1.00 0.00 H new ATOM 0 HA THR A 55 -6.956 1.664 2.675 1.00 0.00 H new ATOM 0 HB THR A 55 -8.189 -0.982 3.338 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.537 -1.241 1.289 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.237 -0.231 2.113 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.987 0.721 3.596 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.563 1.412 2.012 1.00 0.00 H new ATOM 892 N GLU A 56 -8.142 0.862 5.690 1.00 0.00 N ATOM 893 CA GLU A 56 -8.870 1.387 6.839 1.00 0.00 C ATOM 894 C GLU A 56 -8.305 2.763 7.243 1.00 0.00 C ATOM 895 O GLU A 56 -9.052 3.720 7.425 1.00 0.00 O ATOM 896 CB GLU A 56 -8.886 0.323 7.961 1.00 0.00 C ATOM 897 CG GLU A 56 -10.175 0.338 8.799 1.00 0.00 C ATOM 898 CD GLU A 56 -10.430 -1.004 9.485 1.00 0.00 C ATOM 899 OE1 GLU A 56 -9.749 -1.275 10.494 1.00 0.00 O ATOM 900 OE2 GLU A 56 -11.309 -1.746 8.990 1.00 0.00 O ATOM 0 H GLU A 56 -7.844 -0.108 5.797 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.915 1.577 6.595 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.762 -0.665 7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.032 0.486 8.619 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.108 1.123 9.552 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.021 0.583 8.157 1.00 0.00 H new ATOM 907 N ASN A 57 -6.973 2.891 7.266 1.00 0.00 N ATOM 908 CA ASN A 57 -6.283 4.117 7.655 1.00 0.00 C ATOM 909 C ASN A 57 -6.264 5.174 6.538 1.00 0.00 C ATOM 910 O ASN A 57 -6.414 6.366 6.796 1.00 0.00 O ATOM 911 CB ASN A 57 -4.854 3.768 8.080 1.00 0.00 C ATOM 912 CG ASN A 57 -4.257 4.783 9.054 1.00 0.00 C ATOM 913 OD1 ASN A 57 -3.505 4.399 9.942 1.00 0.00 O ATOM 914 ND2 ASN A 57 -4.558 6.074 8.922 1.00 0.00 N ATOM 0 H ASN A 57 -6.340 2.133 7.011 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.832 4.559 8.486 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.849 2.781 8.543 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.222 3.707 7.194 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.161 6.759 9.565 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.186 6.378 8.178 1.00 0.00 H new ATOM 921 N PHE A 58 -6.006 4.765 5.297 1.00 0.00 N ATOM 922 CA PHE A 58 -6.033 5.653 4.136 1.00 0.00 C ATOM 923 C PHE A 58 -7.414 6.308 3.962 1.00 0.00 C ATOM 924 O PHE A 58 -7.507 7.504 3.661 1.00 0.00 O ATOM 925 CB PHE A 58 -5.609 4.842 2.903 1.00 0.00 C ATOM 926 CG PHE A 58 -6.081 5.374 1.565 1.00 0.00 C ATOM 927 CD1 PHE A 58 -7.344 4.990 1.078 1.00 0.00 C ATOM 928 CD2 PHE A 58 -5.251 6.199 0.782 1.00 0.00 C ATOM 929 CE1 PHE A 58 -7.816 5.499 -0.142 1.00 0.00 C ATOM 930 CE2 PHE A 58 -5.696 6.651 -0.472 1.00 0.00 C ATOM 931 CZ PHE A 58 -6.987 6.322 -0.923 1.00 0.00 C ATOM 0 H PHE A 58 -5.770 3.800 5.067 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.333 6.477 4.277 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.521 4.786 2.886 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.979 3.823 3.018 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.953 4.301 1.645 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.274 6.484 1.144 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.813 5.259 -0.479 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.046 7.252 -1.090 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.341 6.702 -1.870 1.00 0.00 H new ATOM 941 N GLU A 59 -8.472 5.506 4.131 1.00 0.00 N ATOM 942 CA GLU A 59 -9.866 5.911 3.994 1.00 0.00 C ATOM 943 C GLU A 59 -10.302 6.750 5.193 1.00 0.00 C ATOM 944 O GLU A 59 -11.022 7.723 5.002 1.00 0.00 O ATOM 945 CB GLU A 59 -10.795 4.691 3.833 1.00 0.00 C ATOM 946 CG GLU A 59 -11.177 4.411 2.371 1.00 0.00 C ATOM 947 CD GLU A 59 -11.997 5.534 1.733 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.685 6.244 2.494 1.00 0.00 O ATOM 949 OE2 GLU A 59 -11.931 5.662 0.491 1.00 0.00 O ATOM 0 H GLU A 59 -8.371 4.521 4.376 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.945 6.516 3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.304 3.811 4.249 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.703 4.854 4.414 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.268 4.258 1.788 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.746 3.483 2.323 1.00 0.00 H new ATOM 956 N ASP A 60 -9.853 6.403 6.409 1.00 0.00 N ATOM 957 CA ASP A 60 -10.024 7.258 7.587 1.00 0.00 C ATOM 958 C ASP A 60 -9.724 8.717 7.205 1.00 0.00 C ATOM 959 O ASP A 60 -10.556 9.609 7.356 1.00 0.00 O ATOM 960 CB ASP A 60 -9.108 6.747 8.712 1.00 0.00 C ATOM 961 CG ASP A 60 -9.223 7.496 10.032 1.00 0.00 C ATOM 962 OD1 ASP A 60 -9.888 8.549 10.059 1.00 0.00 O ATOM 963 OD2 ASP A 60 -8.590 7.009 10.994 1.00 0.00 O ATOM 0 H ASP A 60 -9.365 5.528 6.600 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.051 7.220 7.950 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.330 5.695 8.889 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.074 6.802 8.370 1.00 0.00 H new ATOM 968 N VAL A 61 -8.558 8.931 6.586 1.00 0.00 N ATOM 969 CA VAL A 61 -8.210 10.219 6.001 1.00 0.00 C ATOM 970 C VAL A 61 -9.141 10.610 4.848 1.00 0.00 C ATOM 971 O VAL A 61 -9.655 11.726 4.832 1.00 0.00 O ATOM 972 CB VAL A 61 -6.713 10.255 5.662 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.365 11.385 4.680 1.00 0.00 C ATOM 974 CG2 VAL A 61 -5.903 10.458 6.947 1.00 0.00 C ATOM 0 H VAL A 61 -7.837 8.218 6.480 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.377 11.002 6.740 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.465 9.305 5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.295 11.369 4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.918 11.243 3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.635 12.345 5.120 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.840 10.484 6.707 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.192 11.399 7.415 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.100 9.636 7.635 1.00 0.00 H new ATOM 984 N GLY A 62 -9.338 9.733 3.861 1.00 0.00 N ATOM 985 CA GLY A 62 -10.189 10.062 2.723 1.00 0.00 C ATOM 986 C GLY A 62 -9.403 10.958 1.771 1.00 0.00 C ATOM 987 O GLY A 62 -9.756 12.110 1.526 1.00 0.00 O ATOM 0 H GLY A 62 -8.924 8.801 3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.506 9.153 2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.093 10.569 3.061 1.00 0.00 H new ATOM 991 N HIS A 63 -8.305 10.402 1.260 1.00 0.00 N ATOM 992 CA HIS A 63 -7.295 11.098 0.478 1.00 0.00 C ATOM 993 C HIS A 63 -7.844 11.839 -0.751 1.00 0.00 C ATOM 994 O HIS A 63 -8.834 11.427 -1.364 1.00 0.00 O ATOM 995 CB HIS A 63 -6.267 10.066 0.008 1.00 0.00 C ATOM 996 CG HIS A 63 -5.201 9.723 1.015 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.345 9.054 2.213 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.870 9.986 0.847 1.00 0.00 C ATOM 999 CE1 HIS A 63 -4.112 8.934 2.743 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.172 9.472 1.936 1.00 0.00 N ATOM 0 H HIS A 63 -8.090 9.413 1.387 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.863 11.861 1.126 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.793 9.152 -0.267 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.785 10.441 -0.895 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.217 8.715 2.619 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.432 10.507 0.008 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.902 8.466 3.694 1.00 0.00 H new ATOM 1008 N SER A 64 -7.117 12.891 -1.148 1.00 0.00 N ATOM 1009 CA SER A 64 -7.325 13.662 -2.360 1.00 0.00 C ATOM 1010 C SER A 64 -7.084 12.825 -3.617 1.00 0.00 C ATOM 1011 O SER A 64 -6.588 11.699 -3.563 1.00 0.00 O ATOM 1012 CB SER A 64 -6.342 14.836 -2.355 1.00 0.00 C ATOM 1013 OG SER A 64 -6.389 15.487 -1.105 1.00 0.00 O ATOM 0 H SER A 64 -6.331 13.237 -0.598 1.00 0.00 H new ATOM 0 HA SER A 64 -8.360 14.004 -2.378 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.331 14.478 -2.552 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.593 15.537 -3.151 1.00 0.00 H new ATOM 0 HG SER A 64 -5.897 16.333 -1.158 1.00 0.00 H new ATOM 1019 N THR A 65 -7.401 13.407 -4.774 1.00 0.00 N ATOM 1020 CA THR A 65 -7.253 12.726 -6.048 1.00 0.00 C ATOM 1021 C THR A 65 -5.783 12.640 -6.471 1.00 0.00 C ATOM 1022 O THR A 65 -5.364 11.615 -7.006 1.00 0.00 O ATOM 1023 CB THR A 65 -8.198 13.346 -7.088 1.00 0.00 C ATOM 1024 OG1 THR A 65 -8.547 12.370 -8.049 1.00 0.00 O ATOM 1025 CG2 THR A 65 -7.622 14.596 -7.759 1.00 0.00 C ATOM 0 H THR A 65 -7.765 14.357 -4.848 1.00 0.00 H new ATOM 0 HA THR A 65 -7.562 11.685 -5.951 1.00 0.00 H new ATOM 0 HB THR A 65 -9.091 13.679 -6.559 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.151 12.765 -8.712 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.339 14.984 -8.482 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.422 15.355 -7.003 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.694 14.340 -8.270 1.00 0.00 H new ATOM 1033 N ASP A 66 -4.984 13.670 -6.168 1.00 0.00 N ATOM 1034 CA ASP A 66 -3.538 13.693 -6.370 1.00 0.00 C ATOM 1035 C ASP A 66 -2.923 12.380 -5.882 1.00 0.00 C ATOM 1036 O ASP A 66 -2.196 11.695 -6.595 1.00 0.00 O ATOM 1037 CB ASP A 66 -2.950 14.895 -5.617 1.00 0.00 C ATOM 1038 CG ASP A 66 -3.531 16.209 -6.122 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -4.773 16.335 -6.002 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -2.738 17.043 -6.607 1.00 0.00 O ATOM 0 H ASP A 66 -5.341 14.535 -5.763 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.308 13.795 -7.431 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.153 14.792 -4.551 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.867 14.906 -5.736 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.271 11.990 -4.657 1.00 0.00 N ATOM 1046 CA ALA A 67 -2.850 10.718 -4.102 1.00 0.00 C ATOM 1047 C ALA A 67 -3.349 9.541 -4.936 1.00 0.00 C ATOM 1048 O ALA A 67 -2.591 8.612 -5.181 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.346 10.595 -2.668 1.00 0.00 C ATOM 0 H ALA A 67 -3.850 12.548 -4.029 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.760 10.689 -4.117 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.028 9.638 -2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.931 11.406 -2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.434 10.653 -2.653 1.00 0.00 H new ATOM 1055 N ARG A 68 -4.616 9.545 -5.354 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.167 8.455 -6.153 1.00 0.00 C ATOM 1057 C ARG A 68 -4.352 8.239 -7.434 1.00 0.00 C ATOM 1058 O ARG A 68 -3.952 7.109 -7.722 1.00 0.00 O ATOM 1059 CB ARG A 68 -6.641 8.682 -6.489 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.492 8.579 -5.221 1.00 0.00 C ATOM 1061 CD ARG A 68 -8.943 8.937 -5.540 1.00 0.00 C ATOM 1062 NE ARG A 68 -9.716 9.069 -4.296 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.853 9.769 -4.164 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -11.407 10.346 -5.238 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -11.429 9.882 -2.964 1.00 0.00 N ATOM 0 H ARG A 68 -5.279 10.293 -5.151 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.101 7.552 -5.546 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.771 9.664 -6.945 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.973 7.945 -7.220 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.438 7.568 -4.817 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.102 9.250 -4.455 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.980 9.871 -6.101 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.385 8.167 -6.172 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.360 8.591 -3.468 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.965 10.252 -6.152 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.271 10.879 -5.142 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.004 9.437 -2.151 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.293 10.414 -2.861 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.105 9.300 -8.209 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.307 9.166 -9.424 1.00 0.00 C ATOM 1081 C GLU A 69 -1.895 8.681 -9.077 1.00 0.00 C ATOM 1082 O GLU A 69 -1.372 7.766 -9.717 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.326 10.451 -10.266 1.00 0.00 C ATOM 1084 CG GLU A 69 -2.810 11.697 -9.544 1.00 0.00 C ATOM 1085 CD GLU A 69 -2.714 12.885 -10.489 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -3.773 13.245 -11.044 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -1.580 13.380 -10.661 1.00 0.00 O ATOM 0 H GLU A 69 -4.441 10.244 -8.019 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.758 8.404 -10.060 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.725 10.291 -11.161 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.348 10.637 -10.597 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.475 11.941 -8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.829 11.491 -9.115 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.291 9.236 -8.024 1.00 0.00 N ATOM 1095 CA LEU A 70 0.041 8.838 -7.599 1.00 0.00 C ATOM 1096 C LEU A 70 0.055 7.359 -7.194 1.00 0.00 C ATOM 1097 O LEU A 70 1.007 6.637 -7.477 1.00 0.00 O ATOM 1098 CB LEU A 70 0.503 9.760 -6.463 1.00 0.00 C ATOM 1099 CG LEU A 70 1.971 10.202 -6.545 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.925 9.030 -6.759 1.00 0.00 C ATOM 1101 CD2 LEU A 70 2.172 11.239 -7.656 1.00 0.00 C ATOM 0 H LEU A 70 -1.712 9.967 -7.450 1.00 0.00 H new ATOM 0 HA LEU A 70 0.744 8.942 -8.425 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.129 10.648 -6.456 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.345 9.249 -5.513 1.00 0.00 H new ATOM 0 HG LEU A 70 2.209 10.652 -5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.949 9.399 -6.810 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.832 8.329 -5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.676 8.523 -7.691 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.220 11.535 -7.692 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.884 10.806 -8.614 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.555 12.114 -7.453 1.00 0.00 H new ATOM 1113 N SER A 71 -1.025 6.882 -6.570 1.00 0.00 N ATOM 1114 CA SER A 71 -1.210 5.487 -6.222 1.00 0.00 C ATOM 1115 C SER A 71 -0.910 4.617 -7.442 1.00 0.00 C ATOM 1116 O SER A 71 -0.141 3.667 -7.344 1.00 0.00 O ATOM 1117 CB SER A 71 -2.634 5.259 -5.691 1.00 0.00 C ATOM 1118 OG SER A 71 -2.693 4.162 -4.808 1.00 0.00 O ATOM 0 H SER A 71 -1.807 7.474 -6.290 1.00 0.00 H new ATOM 0 HA SER A 71 -0.519 5.206 -5.427 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.979 6.157 -5.179 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.311 5.089 -6.528 1.00 0.00 H new ATOM 0 HG SER A 71 -2.438 3.344 -5.284 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.459 4.964 -8.611 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.180 4.217 -9.825 1.00 0.00 C ATOM 1126 C LYS A 72 0.324 4.142 -10.102 1.00 0.00 C ATOM 1127 O LYS A 72 0.839 3.068 -10.384 1.00 0.00 O ATOM 1128 CB LYS A 72 -1.950 4.794 -11.021 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.067 3.844 -11.473 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.323 4.072 -10.620 1.00 0.00 C ATOM 1131 CE LYS A 72 -5.217 2.826 -10.554 1.00 0.00 C ATOM 1132 NZ LYS A 72 -6.653 3.167 -10.651 1.00 0.00 N ATOM 0 H LYS A 72 -2.094 5.753 -8.734 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.530 3.196 -9.674 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.378 5.759 -10.750 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.263 4.971 -11.848 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.296 4.012 -12.525 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.736 2.810 -11.380 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.027 4.358 -9.611 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.893 4.904 -11.033 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.951 2.146 -11.363 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.033 2.297 -9.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.221 2.297 -10.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.914 3.795 -9.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.835 3.649 -11.554 1.00 0.00 H new ATOM 1146 N THR A 73 1.048 5.251 -9.973 1.00 0.00 N ATOM 1147 CA THR A 73 2.502 5.261 -10.106 1.00 0.00 C ATOM 1148 C THR A 73 3.202 4.266 -9.155 1.00 0.00 C ATOM 1149 O THR A 73 4.332 3.868 -9.429 1.00 0.00 O ATOM 1150 CB THR A 73 3.004 6.714 -9.982 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.910 7.361 -11.235 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.434 6.860 -9.463 1.00 0.00 C ATOM 0 H THR A 73 0.644 6.166 -9.774 1.00 0.00 H new ATOM 0 HA THR A 73 2.775 4.895 -11.096 1.00 0.00 H new ATOM 0 HB THR A 73 2.358 7.176 -9.236 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.228 8.284 -11.151 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.696 7.917 -9.411 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.507 6.418 -8.469 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.120 6.349 -10.138 1.00 0.00 H new ATOM 1160 N TYR A 74 2.553 3.827 -8.068 1.00 0.00 N ATOM 1161 CA TYR A 74 3.115 2.867 -7.121 1.00 0.00 C ATOM 1162 C TYR A 74 2.521 1.469 -7.280 1.00 0.00 C ATOM 1163 O TYR A 74 2.853 0.577 -6.499 1.00 0.00 O ATOM 1164 CB TYR A 74 2.883 3.379 -5.695 1.00 0.00 C ATOM 1165 CG TYR A 74 3.747 4.565 -5.324 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.148 4.474 -5.441 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.165 5.756 -4.854 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.946 5.613 -5.260 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.980 6.868 -4.585 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.347 6.830 -4.902 1.00 0.00 C ATOM 1171 OH TYR A 74 6.089 7.970 -4.876 1.00 0.00 O ATOM 0 H TYR A 74 1.612 4.135 -7.823 1.00 0.00 H new ATOM 0 HA TYR A 74 4.182 2.780 -7.326 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.835 3.656 -5.585 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.074 2.568 -4.992 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.609 3.525 -5.671 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.098 5.815 -4.701 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.016 5.554 -5.395 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.555 7.752 -4.134 1.00 0.00 H new ATOM 0 HH TYR A 74 5.774 8.549 -4.150 1.00 0.00 H new ATOM 1181 N ILE A 75 1.616 1.280 -8.244 1.00 0.00 N ATOM 1182 CA ILE A 75 0.889 0.033 -8.430 1.00 0.00 C ATOM 1183 C ILE A 75 1.878 -1.079 -8.751 1.00 0.00 C ATOM 1184 O ILE A 75 2.445 -1.121 -9.841 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.221 0.232 -9.484 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.376 -0.775 -9.362 1.00 0.00 C ATOM 1187 CG2 ILE A 75 0.258 0.291 -10.947 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -0.944 -2.237 -9.393 1.00 0.00 C ATOM 0 H ILE A 75 1.369 2.000 -8.922 1.00 0.00 H new ATOM 0 HA ILE A 75 0.377 -0.271 -7.517 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.592 1.226 -9.234 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.909 -0.586 -8.430 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.082 -0.600 -10.174 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.599 0.433 -11.605 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.951 1.123 -11.070 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.761 -0.641 -11.203 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.821 -2.878 -9.301 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.438 -2.447 -10.335 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.263 -2.433 -8.564 1.00 0.00 H new ATOM 1200 N ILE A 76 2.091 -1.982 -7.795 1.00 0.00 N ATOM 1201 CA ILE A 76 2.955 -3.124 -8.026 1.00 0.00 C ATOM 1202 C ILE A 76 2.144 -4.328 -8.454 1.00 0.00 C ATOM 1203 O ILE A 76 2.656 -5.120 -9.230 1.00 0.00 O ATOM 1204 CB ILE A 76 3.832 -3.439 -6.816 1.00 0.00 C ATOM 1205 CG1 ILE A 76 3.014 -3.642 -5.532 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.869 -2.323 -6.661 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.820 -4.341 -4.439 1.00 0.00 C ATOM 0 H ILE A 76 1.678 -1.941 -6.863 1.00 0.00 H new ATOM 0 HA ILE A 76 3.633 -2.863 -8.839 1.00 0.00 H new ATOM 0 HB ILE A 76 4.340 -4.388 -6.987 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.670 -2.675 -5.165 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.125 -4.231 -5.759 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.504 -2.533 -5.800 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.483 -2.269 -7.560 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.359 -1.371 -6.512 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.200 -4.462 -3.551 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.141 -5.320 -4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.695 -3.740 -4.191 1.00 0.00 H new ATOM 1219 N GLY A 77 0.914 -4.479 -7.955 1.00 0.00 N ATOM 1220 CA GLY A 77 0.065 -5.617 -8.239 1.00 0.00 C ATOM 1221 C GLY A 77 -1.282 -5.406 -7.559 1.00 0.00 C ATOM 1222 O GLY A 77 -1.610 -4.294 -7.144 1.00 0.00 O ATOM 0 H GLY A 77 0.482 -3.796 -7.332 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.069 -5.729 -9.315 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.530 -6.534 -7.878 1.00 0.00 H new ATOM 1226 N GLU A 78 -2.064 -6.467 -7.424 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.373 -6.463 -6.811 1.00 0.00 C ATOM 1228 C GLU A 78 -3.522 -7.748 -6.001 1.00 0.00 C ATOM 1229 O GLU A 78 -2.728 -8.682 -6.141 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.447 -6.261 -7.892 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.280 -7.201 -9.090 1.00 0.00 C ATOM 1232 CD GLU A 78 -5.316 -6.917 -10.168 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -6.515 -7.083 -9.857 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -4.894 -6.497 -11.267 1.00 0.00 O ATOM 0 H GLU A 78 -1.786 -7.391 -7.755 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.500 -5.633 -6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.431 -6.416 -7.451 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.413 -5.229 -8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.279 -7.088 -9.506 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.372 -8.235 -8.758 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.497 -7.761 -5.094 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.759 -8.916 -4.255 1.00 0.00 C ATOM 1243 C LEU A 79 -5.128 -10.099 -5.154 1.00 0.00 C ATOM 1244 O LEU A 79 -5.910 -9.941 -6.090 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.875 -8.572 -3.253 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.518 -8.834 -1.783 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -5.213 -10.311 -1.496 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -4.381 -7.926 -1.298 1.00 0.00 C ATOM 0 H LEU A 79 -5.122 -6.973 -4.925 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.877 -9.193 -3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.136 -7.520 -3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.763 -9.151 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.410 -8.582 -1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.968 -10.434 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.086 -10.917 -1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.368 -10.633 -2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.161 -8.145 -0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.491 -8.104 -1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.682 -6.883 -1.394 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.536 -11.268 -4.896 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.716 -12.466 -5.702 1.00 0.00 C ATOM 1262 C HIS A 80 -6.204 -12.745 -5.960 1.00 0.00 C ATOM 1263 O HIS A 80 -7.010 -12.616 -5.036 1.00 0.00 O ATOM 1264 CB HIS A 80 -4.047 -13.641 -4.978 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.617 -14.762 -5.884 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.246 -15.976 -6.044 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.484 -14.776 -6.652 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -3.524 -16.687 -6.927 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -2.445 -15.997 -7.329 1.00 0.00 N ATOM 0 H HIS A 80 -3.907 -11.405 -4.105 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.251 -12.324 -6.678 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.175 -13.271 -4.438 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.739 -14.036 -4.234 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.752 -13.985 -6.722 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.778 -17.680 -7.267 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.737 -16.304 -7.996 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.596 -13.190 -7.170 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.997 -13.383 -7.507 1.00 0.00 C ATOM 1279 C PRO A 81 -8.610 -14.586 -6.777 1.00 0.00 C ATOM 1280 O PRO A 81 -9.793 -14.870 -6.952 1.00 0.00 O ATOM 1281 CB PRO A 81 -8.045 -13.522 -9.032 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.658 -14.032 -9.419 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.742 -13.597 -8.275 1.00 0.00 C ATOM 0 HA PRO A 81 -8.604 -12.539 -7.179 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.824 -14.219 -9.342 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.263 -12.567 -9.510 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.655 -15.116 -9.537 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.332 -13.607 -10.369 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.088 -14.415 -7.974 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.100 -12.774 -8.588 1.00 0.00 H new ATOM 1291 N ASP A 82 -7.822 -15.268 -5.940 1.00 0.00 N ATOM 1292 CA ASP A 82 -8.296 -16.255 -4.993 1.00 0.00 C ATOM 1293 C ASP A 82 -9.111 -15.583 -3.879 1.00 0.00 C ATOM 1294 O ASP A 82 -10.206 -16.048 -3.558 1.00 0.00 O ATOM 1295 CB ASP A 82 -7.081 -17.021 -4.458 1.00 0.00 C ATOM 1296 CG ASP A 82 -7.503 -18.092 -3.466 1.00 0.00 C ATOM 1297 OD1 ASP A 82 -7.789 -19.212 -3.938 1.00 0.00 O ATOM 1298 OD2 ASP A 82 -7.516 -17.769 -2.261 1.00 0.00 O ATOM 0 H ASP A 82 -6.811 -15.138 -5.910 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.970 -16.964 -5.474 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -6.543 -17.481 -5.287 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.392 -16.326 -3.977 1.00 0.00 H new ATOM 1303 N ASP A 83 -8.623 -14.454 -3.342 1.00 0.00 N ATOM 1304 CA ASP A 83 -9.242 -13.772 -2.203 1.00 0.00 C ATOM 1305 C ASP A 83 -9.742 -12.380 -2.590 1.00 0.00 C ATOM 1306 O ASP A 83 -9.606 -11.414 -1.844 1.00 0.00 O ATOM 1307 CB ASP A 83 -8.257 -13.712 -1.030 1.00 0.00 C ATOM 1308 CG ASP A 83 -8.956 -13.348 0.280 1.00 0.00 C ATOM 1309 OD1 ASP A 83 -10.023 -13.947 0.543 1.00 0.00 O ATOM 1310 OD2 ASP A 83 -8.408 -12.496 1.012 1.00 0.00 O ATOM 0 H ASP A 83 -7.784 -13.989 -3.690 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.115 -14.344 -1.889 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.761 -14.677 -0.922 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.481 -12.977 -1.244 1.00 0.00 H new ATOM 1315 N ARG A 84 -10.344 -12.269 -3.777 1.00 0.00 N ATOM 1316 CA ARG A 84 -10.967 -11.029 -4.226 1.00 0.00 C ATOM 1317 C ARG A 84 -12.463 -11.022 -3.903 1.00 0.00 C ATOM 1318 O ARG A 84 -13.055 -9.958 -3.754 1.00 0.00 O ATOM 1319 CB ARG A 84 -10.705 -10.790 -5.718 1.00 0.00 C ATOM 1320 CG ARG A 84 -11.390 -11.824 -6.618 1.00 0.00 C ATOM 1321 CD ARG A 84 -11.333 -11.405 -8.087 1.00 0.00 C ATOM 1322 NE ARG A 84 -12.083 -12.366 -8.913 1.00 0.00 N ATOM 1323 CZ ARG A 84 -12.761 -12.065 -10.033 1.00 0.00 C ATOM 1324 NH1 ARG A 84 -12.659 -10.844 -10.572 1.00 0.00 N ATOM 1325 NH2 ARG A 84 -13.543 -12.986 -10.607 1.00 0.00 N ATOM 0 H ARG A 84 -10.411 -13.034 -4.448 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.512 -10.202 -3.681 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -11.054 -9.793 -5.988 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.631 -10.812 -5.901 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -10.907 -12.793 -6.495 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -12.429 -11.944 -6.312 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -11.752 -10.406 -8.205 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.296 -11.357 -8.420 1.00 0.00 H new ATOM 0 HE ARG A 84 -12.088 -13.340 -8.610 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -12.066 -10.140 -10.132 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.175 -10.617 -11.422 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.624 -13.915 -10.194 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.058 -12.759 -11.457 1.00 0.00 H new ATOM 1339 N SER A 85 -13.085 -12.207 -3.841 1.00 0.00 N ATOM 1340 CA SER A 85 -14.527 -12.358 -3.665 1.00 0.00 C ATOM 1341 C SER A 85 -14.795 -13.005 -2.306 1.00 0.00 C ATOM 1342 O SER A 85 -15.457 -14.037 -2.215 1.00 0.00 O ATOM 1343 CB SER A 85 -15.100 -13.166 -4.840 1.00 0.00 C ATOM 1344 OG SER A 85 -16.505 -13.015 -4.906 1.00 0.00 O ATOM 0 H SER A 85 -12.590 -13.096 -3.913 1.00 0.00 H new ATOM 0 HA SER A 85 -15.029 -11.391 -3.669 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.648 -12.832 -5.774 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.847 -14.220 -4.723 1.00 0.00 H new ATOM 0 HG SER A 85 -16.855 -13.534 -5.660 1.00 0.00 H new ATOM 1350 N LYS A 86 -14.232 -12.404 -1.256 1.00 0.00 N ATOM 1351 CA LYS A 86 -14.386 -12.835 0.130 1.00 0.00 C ATOM 1352 C LYS A 86 -14.676 -11.619 1.011 1.00 0.00 C ATOM 1353 O LYS A 86 -15.684 -11.591 1.715 1.00 0.00 O ATOM 1354 CB LYS A 86 -13.117 -13.569 0.605 1.00 0.00 C ATOM 1355 CG LYS A 86 -13.351 -15.041 0.975 1.00 0.00 C ATOM 1356 CD LYS A 86 -13.383 -15.934 -0.270 1.00 0.00 C ATOM 1357 CE LYS A 86 -13.677 -17.395 0.101 1.00 0.00 C ATOM 1358 NZ LYS A 86 -14.409 -18.091 -0.977 1.00 0.00 N ATOM 0 H LYS A 86 -13.639 -11.580 -1.352 1.00 0.00 H new ATOM 0 HA LYS A 86 -15.223 -13.530 0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.364 -13.518 -0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.710 -13.047 1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.561 -15.379 1.646 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -14.292 -15.136 1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.144 -15.572 -0.961 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.426 -15.873 -0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.741 -17.916 0.302 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.263 -17.427 1.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.591 -19.075 -0.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.313 -17.608 -1.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.838 -18.081 -1.847 1.00 0.00 H new ATOM 1372 N ILE A 87 -13.785 -10.622 0.983 1.00 0.00 N ATOM 1373 CA ILE A 87 -13.955 -9.396 1.751 1.00 0.00 C ATOM 1374 C ILE A 87 -15.277 -8.733 1.359 1.00 0.00 C ATOM 1375 O ILE A 87 -15.597 -8.624 0.176 1.00 0.00 O ATOM 1376 CB ILE A 87 -12.756 -8.460 1.522 1.00 0.00 C ATOM 1377 CG1 ILE A 87 -11.454 -9.108 2.034 1.00 0.00 C ATOM 1378 CG2 ILE A 87 -12.960 -7.105 2.216 1.00 0.00 C ATOM 1379 CD1 ILE A 87 -10.391 -9.121 0.937 1.00 0.00 C ATOM 0 H ILE A 87 -12.930 -10.647 0.427 1.00 0.00 H new ATOM 0 HA ILE A 87 -13.992 -9.625 2.816 1.00 0.00 H new ATOM 0 HB ILE A 87 -12.678 -8.291 0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -11.084 -8.558 2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.655 -10.127 2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -12.094 -6.469 2.033 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -13.854 -6.624 1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -13.077 -7.260 3.289 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.480 -9.582 1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.756 -9.691 0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.177 -8.099 0.626 1.00 0.00 H new ATOM 1391 N ALA A 88 -16.046 -8.296 2.357 1.00 0.00 N ATOM 1392 CA ALA A 88 -17.320 -7.627 2.177 1.00 0.00 C ATOM 1393 C ALA A 88 -17.638 -6.914 3.489 1.00 0.00 C ATOM 1394 O ALA A 88 -17.041 -7.254 4.510 1.00 0.00 O ATOM 1395 CB ALA A 88 -18.411 -8.649 1.826 1.00 0.00 C ATOM 0 H ALA A 88 -15.786 -8.404 3.337 1.00 0.00 H new ATOM 0 HA ALA A 88 -17.276 -6.910 1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -19.363 -8.134 1.693 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -18.145 -9.163 0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -18.501 -9.376 2.633 1.00 0.00 H new ATOM 1401 N LYS A 89 -18.581 -5.967 3.447 1.00 0.00 N ATOM 1402 CA LYS A 89 -19.027 -5.154 4.575 1.00 0.00 C ATOM 1403 C LYS A 89 -17.965 -4.103 4.941 1.00 0.00 C ATOM 1404 O LYS A 89 -16.842 -4.465 5.283 1.00 0.00 O ATOM 1405 CB LYS A 89 -19.415 -6.032 5.779 1.00 0.00 C ATOM 1406 CG LYS A 89 -20.329 -5.274 6.750 1.00 0.00 C ATOM 1407 CD LYS A 89 -20.620 -6.137 7.986 1.00 0.00 C ATOM 1408 CE LYS A 89 -21.888 -5.647 8.707 1.00 0.00 C ATOM 1409 NZ LYS A 89 -21.750 -5.645 10.179 1.00 0.00 N ATOM 0 H LYS A 89 -19.075 -5.739 2.584 1.00 0.00 H new ATOM 0 HA LYS A 89 -19.927 -4.617 4.276 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -19.920 -6.932 5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -18.515 -6.355 6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -19.856 -4.340 7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -21.263 -5.012 6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -20.745 -7.178 7.687 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -19.771 -6.101 8.669 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -22.125 -4.639 8.368 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -22.728 -6.283 8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -22.634 -5.306 10.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -21.551 -6.611 10.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -20.968 -5.017 10.453 1.00 0.00 H new ATOM 1423 N PRO A 90 -18.282 -2.799 4.873 1.00 0.00 N ATOM 1424 CA PRO A 90 -17.337 -1.773 5.267 1.00 0.00 C ATOM 1425 C PRO A 90 -17.142 -1.803 6.785 1.00 0.00 C ATOM 1426 O PRO A 90 -18.039 -2.210 7.526 1.00 0.00 O ATOM 1427 CB PRO A 90 -17.922 -0.448 4.774 1.00 0.00 C ATOM 1428 CG PRO A 90 -19.426 -0.707 4.665 1.00 0.00 C ATOM 1429 CD PRO A 90 -19.560 -2.222 4.489 1.00 0.00 C ATOM 0 HA PRO A 90 -16.348 -1.924 4.834 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -17.709 0.363 5.470 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -17.498 -0.161 3.812 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -19.950 -0.366 5.558 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -19.857 -0.172 3.819 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -20.365 -2.615 5.110 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -19.804 -2.472 3.456 1.00 0.00 H new ATOM 1437 N SER A 91 -15.955 -1.386 7.228 1.00 0.00 N ATOM 1438 CA SER A 91 -15.602 -1.287 8.636 1.00 0.00 C ATOM 1439 C SER A 91 -16.047 0.073 9.178 1.00 0.00 C ATOM 1440 O SER A 91 -16.591 0.897 8.441 1.00 0.00 O ATOM 1441 CB SER A 91 -14.090 -1.472 8.769 1.00 0.00 C ATOM 1442 OG SER A 91 -13.701 -1.820 10.079 1.00 0.00 O ATOM 0 H SER A 91 -15.201 -1.103 6.602 1.00 0.00 H new ATOM 0 HA SER A 91 -16.105 -2.060 9.217 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.760 -2.247 8.078 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.587 -0.550 8.477 1.00 0.00 H new ATOM 0 HG SER A 91 -12.735 -1.986 10.100 1.00 0.00 H new ATOM 1448 N GLU A 92 -15.812 0.311 10.468 1.00 0.00 N ATOM 1449 CA GLU A 92 -16.132 1.570 11.104 1.00 0.00 C ATOM 1450 C GLU A 92 -15.187 2.662 10.590 1.00 0.00 C ATOM 1451 O GLU A 92 -14.018 2.394 10.320 1.00 0.00 O ATOM 1452 CB GLU A 92 -16.060 1.374 12.624 1.00 0.00 C ATOM 1453 CG GLU A 92 -16.906 2.415 13.357 1.00 0.00 C ATOM 1454 CD GLU A 92 -17.262 1.952 14.766 1.00 0.00 C ATOM 1455 OE1 GLU A 92 -18.111 1.040 14.853 1.00 0.00 O ATOM 1456 OE2 GLU A 92 -16.682 2.509 15.721 1.00 0.00 O ATOM 0 H GLU A 92 -15.392 -0.373 11.097 1.00 0.00 H new ATOM 0 HA GLU A 92 -17.142 1.896 10.858 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -16.407 0.373 12.881 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -15.024 1.446 12.954 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.361 3.357 13.409 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -17.819 2.606 12.794 1.00 0.00 H new ATOM 1463 N THR A 93 -15.710 3.881 10.436 1.00 0.00 N ATOM 1464 CA THR A 93 -14.955 5.053 10.007 1.00 0.00 C ATOM 1465 C THR A 93 -14.512 5.821 11.256 1.00 0.00 C ATOM 1466 O THR A 93 -13.338 5.787 11.612 1.00 0.00 O ATOM 1467 CB THR A 93 -15.828 5.875 9.042 1.00 0.00 C ATOM 1468 OG1 THR A 93 -16.120 5.087 7.905 1.00 0.00 O ATOM 1469 CG2 THR A 93 -15.170 7.180 8.589 1.00 0.00 C ATOM 0 H THR A 93 -16.695 4.081 10.611 1.00 0.00 H new ATOM 0 HA THR A 93 -14.051 4.789 9.458 1.00 0.00 H new ATOM 0 HB THR A 93 -16.733 6.148 9.584 1.00 0.00 H new ATOM 0 HG1 THR A 93 -16.678 5.602 7.285 1.00 0.00 H new ATOM 0 HG21 THR A 93 -15.840 7.709 7.911 1.00 0.00 H new ATOM 0 HG22 THR A 93 -14.966 7.805 9.458 1.00 0.00 H new ATOM 0 HG23 THR A 93 -14.235 6.957 8.075 1.00 0.00 H new ATOM 1477 N LEU A 94 -15.478 6.440 11.941 1.00 0.00 N ATOM 1478 CA LEU A 94 -15.276 7.250 13.135 1.00 0.00 C ATOM 1479 C LEU A 94 -14.529 8.551 12.804 1.00 0.00 C ATOM 1480 O LEU A 94 -14.502 8.898 11.602 1.00 0.00 O ATOM 1481 CB LEU A 94 -14.666 6.395 14.267 1.00 0.00 C ATOM 1482 CG LEU A 94 -15.050 6.883 15.684 1.00 0.00 C ATOM 1483 CD1 LEU A 94 -15.519 5.726 16.592 1.00 0.00 C ATOM 1484 CD2 LEU A 94 -13.933 7.707 16.353 1.00 0.00 C ATOM 1485 OXT LEU A 94 -14.084 9.226 13.756 1.00 0.00 O ATOM 0 H LEU A 94 -16.458 6.385 11.664 1.00 0.00 H new ATOM 0 HA LEU A 94 -16.235 7.590 13.525 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -14.991 5.362 14.147 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.580 6.401 14.171 1.00 0.00 H new ATOM 0 HG LEU A 94 -15.898 7.555 15.549 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -15.778 6.117 17.576 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -16.393 5.248 16.150 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -14.717 4.994 16.692 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -14.258 8.023 17.344 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -13.035 7.096 16.443 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -13.715 8.586 15.746 1.00 0.00 H new TER 1497 LEU A 94 HETATM 1498 CHA HEM A 96 -1.457 12.941 2.694 1.00 0.00 C HETATM 1499 CHB HEM A 96 -0.460 10.167 -1.216 1.00 0.00 C HETATM 1500 CHC HEM A 96 -1.167 6.173 1.554 1.00 0.00 C HETATM 1501 CHD HEM A 96 -1.714 8.968 5.571 1.00 0.00 C HETATM 1502 C1A HEM A 96 -1.217 12.506 1.395 1.00 0.00 C HETATM 1503 C2A HEM A 96 -1.106 13.397 0.268 1.00 0.00 C HETATM 1504 C3A HEM A 96 -0.749 12.633 -0.825 1.00 0.00 C HETATM 1505 C4A HEM A 96 -0.735 11.255 -0.388 1.00 0.00 C HETATM 1506 CMA HEM A 96 -0.417 13.127 -2.216 1.00 0.00 C HETATM 1507 CAA HEM A 96 -1.296 14.899 0.337 1.00 0.00 C HETATM 1508 CBA HEM A 96 -2.638 15.335 0.954 1.00 0.00 C HETATM 1509 CGA HEM A 96 -3.477 16.161 -0.010 1.00 0.00 C HETATM 1510 O1A HEM A 96 -3.884 17.274 0.382 1.00 0.00 O HETATM 1511 O2A HEM A 96 -3.725 15.661 -1.126 1.00 0.00 O HETATM 1512 C1B HEM A 96 -0.572 8.852 -0.780 1.00 0.00 C HETATM 1513 C2B HEM A 96 -0.376 7.697 -1.627 1.00 0.00 C HETATM 1514 C3B HEM A 96 -0.623 6.606 -0.836 1.00 0.00 C HETATM 1515 C4B HEM A 96 -0.912 7.038 0.503 1.00 0.00 C HETATM 1516 CMB HEM A 96 0.043 7.690 -3.075 1.00 0.00 C HETATM 1517 CAB HEM A 96 -0.520 5.164 -1.271 1.00 0.00 C HETATM 1518 CBB HEM A 96 -1.306 4.694 -2.250 1.00 0.00 C HETATM 1519 C1C HEM A 96 -1.366 6.589 2.868 1.00 0.00 C HETATM 1520 C2C HEM A 96 -1.666 5.699 3.963 1.00 0.00 C HETATM 1521 C3C HEM A 96 -1.728 6.480 5.092 1.00 0.00 C HETATM 1522 C4C HEM A 96 -1.582 7.866 4.713 1.00 0.00 C HETATM 1523 CMC HEM A 96 -1.927 4.216 3.869 1.00 0.00 C HETATM 1524 CAC HEM A 96 -2.152 5.997 6.466 1.00 0.00 C HETATM 1525 CBC HEM A 96 -1.757 4.803 6.964 1.00 0.00 C HETATM 1526 C1D HEM A 96 -1.689 10.295 5.119 1.00 0.00 C HETATM 1527 C2D HEM A 96 -1.793 11.458 5.969 1.00 0.00 C HETATM 1528 C3D HEM A 96 -1.735 12.571 5.158 1.00 0.00 C HETATM 1529 C4D HEM A 96 -1.572 12.106 3.803 1.00 0.00 C HETATM 1530 CMD HEM A 96 -1.902 11.456 7.474 1.00 0.00 C HETATM 1531 CAD HEM A 96 -1.751 14.016 5.610 1.00 0.00 C HETATM 1532 CBD HEM A 96 -3.089 14.485 6.195 1.00 0.00 C HETATM 1533 CGD HEM A 96 -4.165 14.709 5.138 1.00 0.00 C HETATM 1534 O1D HEM A 96 -5.223 15.244 5.533 1.00 0.00 O HETATM 1535 O2D HEM A 96 -3.919 14.361 3.963 1.00 0.00 O HETATM 1536 NA HEM A 96 -1.043 11.244 0.948 1.00 0.00 N HETATM 1537 NB HEM A 96 -0.873 8.399 0.492 1.00 0.00 N HETATM 1538 NC HEM A 96 -1.356 7.870 3.359 1.00 0.00 N HETATM 1539 ND HEM A 96 -1.535 10.752 3.838 1.00 0.00 N HETATM 1540 FE HEM A 96 -1.199 9.587 2.168 1.00 0.00 FE HETATM 0 HMA1 HEM A 96 0.308 12.457 -2.677 1.00 0.00 H new HETATM 0 HMA2 HEM A 96 0.004 14.130 -2.155 1.00 0.00 H new HETATM 0 HMA3 HEM A 96 -1.324 13.150 -2.820 1.00 0.00 H new HETATM 0 HMB1 HEM A 96 0.601 6.778 -3.288 1.00 0.00 H new HETATM 0 HMB2 HEM A 96 0.673 8.556 -3.276 1.00 0.00 H new HETATM 0 HMB3 HEM A 96 -0.842 7.730 -3.710 1.00 0.00 H new HETATM 0 HMC1 HEM A 96 -2.375 3.986 2.902 1.00 0.00 H new HETATM 0 HMC2 HEM A 96 -2.608 3.915 4.665 1.00 0.00 H new HETATM 0 HMC3 HEM A 96 -0.987 3.674 3.971 1.00 0.00 H new HETATM 0 HMD1 HEM A 96 -1.449 12.363 7.873 1.00 0.00 H new HETATM 0 HMD2 HEM A 96 -1.384 10.585 7.875 1.00 0.00 H new HETATM 0 HMD3 HEM A 96 -2.952 11.418 7.763 1.00 0.00 H new HETATM 0 HBB1 HEM A 96 -1.227 3.652 -2.560 1.00 0.00 H new HETATM 0 HBB2 HEM A 96 -2.024 5.354 -2.736 1.00 0.00 H new HETATM 0 HBC1 HEM A 96 -2.083 4.492 7.956 1.00 0.00 H new HETATM 0 HBC2 HEM A 96 -1.112 4.152 6.373 1.00 0.00 H new HETATM 0 HBA1 HEM A 96 -2.448 15.916 1.857 1.00 0.00 H new HETATM 0 HBA2 HEM A 96 -3.200 14.451 1.256 1.00 0.00 H new HETATM 0 HAA1 HEM A 96 -1.220 15.311 -0.669 1.00 0.00 H new HETATM 0 HAA2 HEM A 96 -0.483 15.331 0.920 1.00 0.00 H new HETATM 0 HBD1 HEM A 96 -2.932 15.413 6.745 1.00 0.00 H new HETATM 0 HBD2 HEM A 96 -3.443 13.745 6.913 1.00 0.00 H new HETATM 0 HAD1 HEM A 96 -1.497 14.652 4.762 1.00 0.00 H new HETATM 0 HAD2 HEM A 96 -0.972 14.158 6.359 1.00 0.00 H new HETATM 0 HHA HEM A 96 -1.562 14.004 2.855 1.00 0.00 H new HETATM 0 HHB HEM A 96 -0.149 10.353 -2.233 1.00 0.00 H new HETATM 0 HHC HEM A 96 -1.214 5.115 1.342 1.00 0.00 H new HETATM 0 HHD HEM A 96 -1.841 8.786 6.628 1.00 0.00 H new HETATM 0 HAB HEM A 96 0.197 4.502 -0.786 1.00 0.00 H new HETATM 0 HAC HEM A 96 -2.797 6.633 7.072 1.00 0.00 H new