USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 105 HIS : no HD1:sc= -0.0993 K(o=-0.79,f=-0.12) USER MOD Set 1.2: A 106 HIS : no HD1:sc= -0.687 K(o=-0.79,f=-0.12) USER MOD Set 2.1: A 26 GLN : amide:sc= 0.0987 K(o=0.89,f=-1.3) USER MOD Set 2.2: A 29 ASN : amide:sc= 0.79 K(o=0.89,f=-0.93) USER MOD Set 2.3: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= 0.804 USER MOD Set 3.2: A 76 SER OG : rot -108:sc= 1.72 USER MOD Single : A 1 MET CE :methyl 157:sc= -0.176 (180deg=-0.988) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -105:sc= 1.41 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 110:sc= -1.57 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= 1.17 K(o=1.2,f=-3.5!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -35:sc= 0.0128 USER MOD Single : A 19 LYS NZ :NH3+ -166:sc= -0.0509 (180deg=-0.256) USER MOD Single : A 20 ASN : amide:sc= -0.236 K(o=-0.24,f=-3!) USER MOD Single : A 21 THR OG1 : rot -91:sc= 0.886 USER MOD Single : A 22 LYS NZ :NH3+ 140:sc= 1.05 (180deg=-0.00659) USER MOD Single : A 23 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.0038) USER MOD Single : A 28 THR OG1 : rot 70:sc= 1.23 USER MOD Single : A 30 THR OG1 : rot 94:sc= 1.23 USER MOD Single : A 33 THR OG1 : rot 62:sc= 1.28 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -120:sc= -1.45 USER MOD Single : A 43 SER OG : rot 180:sc= 0.105 USER MOD Single : A 45 GLN : amide:sc= -0.0239 K(o=-0.024,f=-0.56) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -144:sc= 0 (180deg=-1.73!) USER MOD Single : A 54 LYS NZ :NH3+ 168:sc= -0.0359 (180deg=-0.224) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 175:sc= -0.42 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 73:sc= 1.81 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -1.35 K(o=-1.3,f=-0.19) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.00016) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.323 2.465 5.460 1.00 0.00 N ATOM 2 CA MET A 1 -14.475 2.609 4.254 1.00 0.00 C ATOM 3 C MET A 1 -13.478 1.469 4.182 1.00 0.00 C ATOM 4 O MET A 1 -12.715 1.247 5.124 1.00 0.00 O ATOM 5 CB MET A 1 -13.716 3.935 4.276 1.00 0.00 C ATOM 6 CG MET A 1 -12.849 4.159 3.045 1.00 0.00 C ATOM 7 SD MET A 1 -13.811 4.474 1.556 1.00 0.00 S ATOM 8 CE MET A 1 -14.670 5.977 2.019 1.00 0.00 C ATOM 0 H1 MET A 1 -16.003 3.250 5.502 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.838 1.563 5.416 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.724 2.481 6.310 1.00 0.00 H new ATOM 0 HA MET A 1 -15.126 2.588 3.380 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.432 4.753 4.360 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.086 3.969 5.165 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.182 5.002 3.225 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.220 3.283 2.886 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.970 6.516 1.120 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.555 5.725 2.603 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.008 6.605 2.616 1.00 0.00 H new ATOM 20 N THR A 2 -13.471 0.757 3.067 1.00 0.00 N ATOM 21 CA THR A 2 -12.557 -0.356 2.902 1.00 0.00 C ATOM 22 C THR A 2 -11.234 0.137 2.342 1.00 0.00 C ATOM 23 O THR A 2 -11.155 1.249 1.807 1.00 0.00 O ATOM 24 CB THR A 2 -13.139 -1.445 1.975 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.412 -0.895 0.685 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.418 -2.025 2.555 1.00 0.00 C ATOM 0 H THR A 2 -14.083 0.929 2.270 1.00 0.00 H new ATOM 0 HA THR A 2 -12.400 -0.801 3.885 1.00 0.00 H new ATOM 0 HB THR A 2 -12.401 -2.242 1.886 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.378 -0.770 0.581 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.808 -2.790 1.883 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.208 -2.470 3.528 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.157 -1.232 2.671 1.00 0.00 H new ATOM 34 N PHE A 3 -10.195 -0.671 2.474 1.00 0.00 N ATOM 35 CA PHE A 3 -8.891 -0.302 1.957 1.00 0.00 C ATOM 36 C PHE A 3 -8.937 -0.218 0.435 1.00 0.00 C ATOM 37 O PHE A 3 -8.332 0.669 -0.162 1.00 0.00 O ATOM 38 CB PHE A 3 -7.819 -1.296 2.405 1.00 0.00 C ATOM 39 CG PHE A 3 -6.439 -0.937 1.929 1.00 0.00 C ATOM 40 CD1 PHE A 3 -5.744 0.108 2.513 1.00 0.00 C ATOM 41 CD2 PHE A 3 -5.845 -1.639 0.893 1.00 0.00 C ATOM 42 CE1 PHE A 3 -4.478 0.446 2.075 1.00 0.00 C ATOM 43 CE2 PHE A 3 -4.580 -1.305 0.450 1.00 0.00 C ATOM 44 CZ PHE A 3 -3.896 -0.260 1.042 1.00 0.00 C ATOM 0 H PHE A 3 -10.230 -1.582 2.932 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.628 0.677 2.359 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.817 -1.352 3.494 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -8.077 -2.289 2.035 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -6.196 0.665 3.320 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.376 -2.456 0.427 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -3.945 1.262 2.540 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -4.126 -1.860 -0.358 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.907 0.004 0.697 1.00 0.00 H new ATOM 54 N SER A 4 -9.684 -1.131 -0.180 1.00 0.00 N ATOM 55 CA SER A 4 -9.845 -1.139 -1.629 1.00 0.00 C ATOM 56 C SER A 4 -10.489 0.162 -2.105 1.00 0.00 C ATOM 57 O SER A 4 -10.020 0.783 -3.057 1.00 0.00 O ATOM 58 CB SER A 4 -10.693 -2.339 -2.058 1.00 0.00 C ATOM 59 OG SER A 4 -10.110 -3.557 -1.621 1.00 0.00 O ATOM 0 H SER A 4 -10.187 -1.875 0.304 1.00 0.00 H new ATOM 0 HA SER A 4 -8.859 -1.222 -2.087 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.698 -2.244 -1.646 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.793 -2.349 -3.143 1.00 0.00 H new ATOM 0 HG SER A 4 -10.671 -4.309 -1.906 1.00 0.00 H new ATOM 65 N GLU A 5 -11.547 0.578 -1.418 1.00 0.00 N ATOM 66 CA GLU A 5 -12.244 1.816 -1.741 1.00 0.00 C ATOM 67 C GLU A 5 -11.332 3.022 -1.573 1.00 0.00 C ATOM 68 O GLU A 5 -11.231 3.872 -2.457 1.00 0.00 O ATOM 69 CB GLU A 5 -13.462 1.970 -0.839 1.00 0.00 C ATOM 70 CG GLU A 5 -14.650 1.134 -1.259 1.00 0.00 C ATOM 71 CD GLU A 5 -15.752 1.160 -0.226 1.00 0.00 C ATOM 72 OE1 GLU A 5 -16.571 2.101 -0.243 1.00 0.00 O ATOM 73 OE2 GLU A 5 -15.787 0.248 0.623 1.00 0.00 O ATOM 0 H GLU A 5 -11.943 0.070 -0.627 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.558 1.766 -2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.183 1.700 0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.757 3.019 -0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.035 1.503 -2.210 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.330 0.105 -1.422 1.00 0.00 H new ATOM 80 N CYS A 6 -10.667 3.083 -0.434 1.00 0.00 N ATOM 81 CA CYS A 6 -9.821 4.217 -0.099 1.00 0.00 C ATOM 82 C CYS A 6 -8.643 4.322 -1.060 1.00 0.00 C ATOM 83 O CYS A 6 -8.279 5.415 -1.501 1.00 0.00 O ATOM 84 CB CYS A 6 -9.313 4.074 1.328 1.00 0.00 C ATOM 85 SG CYS A 6 -8.723 5.616 2.057 1.00 0.00 S ATOM 0 H CYS A 6 -10.696 2.355 0.280 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.415 5.127 -0.186 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -10.114 3.674 1.949 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.503 3.344 1.343 1.00 0.00 H new ATOM 0 HG CYS A 6 -9.549 6.001 2.984 1.00 0.00 H new ATOM 91 N ALA A 7 -8.048 3.179 -1.373 1.00 0.00 N ATOM 92 CA ALA A 7 -6.955 3.128 -2.335 1.00 0.00 C ATOM 93 C ALA A 7 -7.423 3.599 -3.706 1.00 0.00 C ATOM 94 O ALA A 7 -6.730 4.366 -4.376 1.00 0.00 O ATOM 95 CB ALA A 7 -6.377 1.724 -2.426 1.00 0.00 C ATOM 0 H ALA A 7 -8.303 2.275 -0.975 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.170 3.799 -1.988 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.563 1.712 -3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.998 1.422 -1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.155 1.030 -2.743 1.00 0.00 H new ATOM 101 N ALA A 8 -8.613 3.154 -4.105 1.00 0.00 N ATOM 102 CA ALA A 8 -9.198 3.557 -5.379 1.00 0.00 C ATOM 103 C ALA A 8 -9.406 5.065 -5.424 1.00 0.00 C ATOM 104 O ALA A 8 -9.215 5.692 -6.463 1.00 0.00 O ATOM 105 CB ALA A 8 -10.515 2.830 -5.614 1.00 0.00 C ATOM 0 H ALA A 8 -9.191 2.513 -3.562 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.505 3.284 -6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.938 3.142 -6.569 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.339 1.754 -5.630 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.212 3.072 -4.812 1.00 0.00 H new ATOM 111 N LEU A 9 -9.793 5.640 -4.288 1.00 0.00 N ATOM 112 CA LEU A 9 -9.968 7.085 -4.174 1.00 0.00 C ATOM 113 C LEU A 9 -8.658 7.809 -4.458 1.00 0.00 C ATOM 114 O LEU A 9 -8.617 8.740 -5.261 1.00 0.00 O ATOM 115 CB LEU A 9 -10.475 7.463 -2.778 1.00 0.00 C ATOM 116 CG LEU A 9 -11.857 6.926 -2.410 1.00 0.00 C ATOM 117 CD1 LEU A 9 -12.168 7.225 -0.954 1.00 0.00 C ATOM 118 CD2 LEU A 9 -12.923 7.527 -3.313 1.00 0.00 C ATOM 0 H LEU A 9 -9.992 5.125 -3.430 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.709 7.391 -4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.757 7.104 -2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.495 8.550 -2.700 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.856 5.845 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.156 6.837 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.421 6.751 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.151 8.303 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.900 7.132 -3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.925 8.611 -3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.709 7.269 -4.350 1.00 0.00 H new ATOM 130 N TYR A 10 -7.587 7.359 -3.805 1.00 0.00 N ATOM 131 CA TYR A 10 -6.267 7.951 -3.989 1.00 0.00 C ATOM 132 C TYR A 10 -5.849 7.893 -5.452 1.00 0.00 C ATOM 133 O TYR A 10 -5.422 8.898 -6.031 1.00 0.00 O ATOM 134 CB TYR A 10 -5.220 7.221 -3.139 1.00 0.00 C ATOM 135 CG TYR A 10 -3.806 7.711 -3.379 1.00 0.00 C ATOM 136 CD1 TYR A 10 -3.295 8.795 -2.679 1.00 0.00 C ATOM 137 CD2 TYR A 10 -2.989 7.098 -4.322 1.00 0.00 C ATOM 138 CE1 TYR A 10 -2.012 9.253 -2.914 1.00 0.00 C ATOM 139 CE2 TYR A 10 -1.710 7.553 -4.565 1.00 0.00 C ATOM 140 CZ TYR A 10 -1.226 8.629 -3.860 1.00 0.00 C ATOM 141 OH TYR A 10 0.048 9.086 -4.105 1.00 0.00 O ATOM 0 H TYR A 10 -7.610 6.584 -3.142 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.326 8.992 -3.672 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.467 7.346 -2.085 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.268 6.153 -3.353 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.909 9.288 -1.940 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.363 6.249 -4.875 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.627 10.096 -2.359 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.092 7.066 -5.305 1.00 0.00 H new ATOM 0 HH TYR A 10 0.466 8.534 -4.799 1.00 0.00 H new ATOM 151 N ILE A 11 -5.972 6.709 -6.033 1.00 0.00 N ATOM 152 CA ILE A 11 -5.540 6.476 -7.403 1.00 0.00 C ATOM 153 C ILE A 11 -6.393 7.260 -8.399 1.00 0.00 C ATOM 154 O ILE A 11 -5.862 7.963 -9.254 1.00 0.00 O ATOM 155 CB ILE A 11 -5.582 4.974 -7.756 1.00 0.00 C ATOM 156 CG1 ILE A 11 -4.689 4.184 -6.792 1.00 0.00 C ATOM 157 CG2 ILE A 11 -5.149 4.750 -9.203 1.00 0.00 C ATOM 158 CD1 ILE A 11 -4.771 2.685 -6.979 1.00 0.00 C ATOM 0 H ILE A 11 -6.370 5.890 -5.574 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.510 6.826 -7.474 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.607 4.617 -7.652 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.655 4.502 -6.925 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.969 4.430 -5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.185 3.685 -9.433 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.821 5.289 -9.871 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.131 5.116 -9.339 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.113 2.192 -6.263 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.797 2.354 -6.817 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.463 2.427 -7.992 1.00 0.00 H new ATOM 170 N LYS A 12 -7.710 7.161 -8.266 1.00 0.00 N ATOM 171 CA LYS A 12 -8.626 7.808 -9.202 1.00 0.00 C ATOM 172 C LYS A 12 -8.481 9.328 -9.154 1.00 0.00 C ATOM 173 O LYS A 12 -8.584 10.002 -10.179 1.00 0.00 O ATOM 174 CB LYS A 12 -10.070 7.391 -8.907 1.00 0.00 C ATOM 175 CG LYS A 12 -11.097 8.044 -9.819 1.00 0.00 C ATOM 176 CD LYS A 12 -12.471 7.407 -9.672 1.00 0.00 C ATOM 177 CE LYS A 12 -12.968 7.451 -8.235 1.00 0.00 C ATOM 178 NZ LYS A 12 -14.332 6.873 -8.104 1.00 0.00 N ATOM 0 H LYS A 12 -8.169 6.639 -7.520 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.369 7.482 -10.210 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.152 6.308 -9.000 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.306 7.640 -7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.163 9.107 -9.589 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.767 7.962 -10.855 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.181 7.924 -10.317 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.429 6.371 -10.010 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.278 6.902 -7.595 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.975 8.483 -7.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.635 6.921 -7.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.996 7.413 -8.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.320 5.881 -8.414 1.00 0.00 H new ATOM 192 N ALA A 13 -8.205 9.861 -7.972 1.00 0.00 N ATOM 193 CA ALA A 13 -8.044 11.301 -7.807 1.00 0.00 C ATOM 194 C ALA A 13 -6.742 11.793 -8.436 1.00 0.00 C ATOM 195 O ALA A 13 -6.561 12.994 -8.641 1.00 0.00 O ATOM 196 CB ALA A 13 -8.089 11.674 -6.331 1.00 0.00 C ATOM 0 H ALA A 13 -8.088 9.321 -7.115 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.871 11.789 -8.323 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.967 12.752 -6.224 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.048 11.373 -5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.284 11.164 -5.802 1.00 0.00 H new ATOM 202 N HIS A 14 -5.840 10.866 -8.743 1.00 0.00 N ATOM 203 CA HIS A 14 -4.543 11.219 -9.313 1.00 0.00 C ATOM 204 C HIS A 14 -4.373 10.653 -10.718 1.00 0.00 C ATOM 205 O HIS A 14 -3.356 10.896 -11.368 1.00 0.00 O ATOM 206 CB HIS A 14 -3.408 10.704 -8.425 1.00 0.00 C ATOM 207 CG HIS A 14 -3.203 11.494 -7.172 1.00 0.00 C ATOM 208 ND1 HIS A 14 -3.769 11.151 -5.964 1.00 0.00 N ATOM 209 CD2 HIS A 14 -2.477 12.610 -6.942 1.00 0.00 C ATOM 210 CE1 HIS A 14 -3.399 12.025 -5.046 1.00 0.00 C ATOM 211 NE2 HIS A 14 -2.612 12.921 -5.614 1.00 0.00 N ATOM 0 H HIS A 14 -5.983 9.865 -8.607 1.00 0.00 H new ATOM 0 HA HIS A 14 -4.503 12.307 -9.369 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.613 9.667 -8.158 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.482 10.708 -9.000 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -4.378 10.348 -5.804 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -1.897 13.157 -7.671 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.691 12.010 -4.006 1.00 0.00 H new ATOM 220 N ARG A 15 -5.368 9.914 -11.190 1.00 0.00 N ATOM 221 CA ARG A 15 -5.242 9.206 -12.455 1.00 0.00 C ATOM 222 C ARG A 15 -5.228 10.178 -13.631 1.00 0.00 C ATOM 223 O ARG A 15 -4.625 9.894 -14.661 1.00 0.00 O ATOM 224 CB ARG A 15 -6.363 8.169 -12.634 1.00 0.00 C ATOM 225 CG ARG A 15 -7.727 8.758 -12.953 1.00 0.00 C ATOM 226 CD ARG A 15 -8.753 7.667 -13.222 1.00 0.00 C ATOM 227 NE ARG A 15 -10.024 8.223 -13.684 1.00 0.00 N ATOM 228 CZ ARG A 15 -11.019 7.505 -14.206 1.00 0.00 C ATOM 229 NH1 ARG A 15 -10.929 6.184 -14.295 1.00 0.00 N ATOM 230 NH2 ARG A 15 -12.122 8.109 -14.625 1.00 0.00 N ATOM 0 H ARG A 15 -6.265 9.790 -10.720 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.290 8.676 -12.434 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.082 7.484 -13.434 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.442 7.578 -11.722 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.062 9.377 -12.121 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.649 9.409 -13.824 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.363 6.978 -13.971 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.917 7.090 -12.312 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.159 9.231 -13.601 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.092 5.706 -13.962 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.697 5.646 -14.696 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.209 9.122 -14.548 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.884 7.560 -15.024 1.00 0.00 H new ATOM 244 N SER A 16 -5.870 11.333 -13.461 1.00 0.00 N ATOM 245 CA SER A 16 -5.940 12.340 -14.503 1.00 0.00 C ATOM 246 C SER A 16 -4.566 12.958 -14.769 1.00 0.00 C ATOM 247 O SER A 16 -4.306 13.478 -15.856 1.00 0.00 O ATOM 248 CB SER A 16 -6.940 13.419 -14.096 1.00 0.00 C ATOM 249 OG SER A 16 -8.233 12.867 -13.893 1.00 0.00 O ATOM 0 H SER A 16 -6.352 11.590 -12.600 1.00 0.00 H new ATOM 0 HA SER A 16 -6.272 11.865 -15.427 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.602 13.907 -13.182 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.986 14.187 -14.868 1.00 0.00 H new ATOM 0 HG SER A 16 -8.855 13.578 -13.631 1.00 0.00 H new ATOM 255 N SER A 17 -3.688 12.887 -13.777 1.00 0.00 N ATOM 256 CA SER A 17 -2.335 13.402 -13.918 1.00 0.00 C ATOM 257 C SER A 17 -1.458 12.380 -14.639 1.00 0.00 C ATOM 258 O SER A 17 -0.376 12.707 -15.128 1.00 0.00 O ATOM 259 CB SER A 17 -1.750 13.732 -12.542 1.00 0.00 C ATOM 260 OG SER A 17 -0.508 14.413 -12.649 1.00 0.00 O ATOM 0 H SER A 17 -3.890 12.477 -12.865 1.00 0.00 H new ATOM 0 HA SER A 17 -2.364 14.316 -14.511 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.456 14.348 -11.985 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.613 12.812 -11.975 1.00 0.00 H new ATOM 0 HG SER A 17 -0.012 14.069 -13.421 1.00 0.00 H new ATOM 266 N TRP A 18 -1.948 11.151 -14.723 1.00 0.00 N ATOM 267 CA TRP A 18 -1.211 10.068 -15.346 1.00 0.00 C ATOM 268 C TRP A 18 -1.933 9.608 -16.607 1.00 0.00 C ATOM 269 O TRP A 18 -2.148 8.409 -16.791 1.00 0.00 O ATOM 270 CB TRP A 18 -1.088 8.873 -14.393 1.00 0.00 C ATOM 271 CG TRP A 18 -0.509 9.192 -13.048 1.00 0.00 C ATOM 272 CD1 TRP A 18 0.519 10.046 -12.769 1.00 0.00 C ATOM 273 CD2 TRP A 18 -0.913 8.627 -11.797 1.00 0.00 C ATOM 274 NE1 TRP A 18 0.769 10.053 -11.414 1.00 0.00 N ATOM 275 CE2 TRP A 18 -0.097 9.190 -10.800 1.00 0.00 C ATOM 276 CE3 TRP A 18 -1.893 7.702 -11.424 1.00 0.00 C ATOM 277 CZ2 TRP A 18 -0.228 8.857 -9.455 1.00 0.00 C ATOM 278 CZ3 TRP A 18 -2.024 7.372 -10.088 1.00 0.00 C ATOM 279 CH2 TRP A 18 -1.195 7.948 -9.117 1.00 0.00 C ATOM 0 H TRP A 18 -2.863 10.881 -14.362 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.216 10.437 -15.593 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.077 8.437 -14.252 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.469 8.112 -14.867 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.057 10.630 -13.502 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.483 10.611 -10.945 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.536 7.253 -12.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.410 9.300 -8.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.778 6.659 -9.788 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -1.321 7.670 -8.081 1.00 0.00 H new ATOM 290 N LYS A 19 -2.322 10.550 -17.465 1.00 0.00 N ATOM 291 CA LYS A 19 -3.053 10.219 -18.665 1.00 0.00 C ATOM 292 C LYS A 19 -4.499 9.886 -18.320 1.00 0.00 C ATOM 293 O LYS A 19 -4.976 10.440 -17.331 1.00 0.00 O ATOM 294 CB LYS A 19 -2.285 9.292 -19.581 1.00 0.00 C ATOM 295 CG LYS A 19 -1.139 10.002 -20.280 1.00 0.00 C ATOM 296 CD LYS A 19 -0.556 9.162 -21.395 1.00 0.00 C ATOM 297 CE LYS A 19 0.583 9.880 -22.095 1.00 0.00 C ATOM 298 NZ LYS A 19 0.140 11.153 -22.722 1.00 0.00 N ATOM 0 H LYS A 19 -2.138 11.546 -17.342 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.147 11.087 -19.317 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.894 8.454 -19.004 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.963 8.876 -20.327 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.492 10.950 -20.685 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.359 10.236 -19.555 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.197 8.216 -20.990 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.336 8.923 -22.118 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.376 10.087 -21.377 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.007 9.228 -22.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.872 11.489 -23.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.746 10.994 -23.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.016 11.868 -21.983 1.00 0.00 H new ATOM 312 N ASN A 20 -5.272 9.064 -19.033 1.00 0.00 N ATOM 313 CA ASN A 20 -5.169 7.585 -19.242 1.00 0.00 C ATOM 314 C ASN A 20 -3.868 6.957 -19.719 1.00 0.00 C ATOM 315 O ASN A 20 -3.582 6.874 -20.917 1.00 0.00 O ATOM 316 CB ASN A 20 -6.288 7.154 -20.194 1.00 0.00 C ATOM 317 CG ASN A 20 -6.670 5.687 -20.063 1.00 0.00 C ATOM 318 OD1 ASN A 20 -5.857 4.837 -19.704 1.00 0.00 O ATOM 319 ND2 ASN A 20 -7.924 5.386 -20.360 1.00 0.00 N ATOM 0 H ASN A 20 -6.075 9.439 -19.538 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.240 7.209 -18.222 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.169 7.768 -20.007 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.976 7.349 -21.220 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.246 4.420 -20.295 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.569 6.120 -20.654 1.00 0.00 H new ATOM 326 N THR A 21 -3.102 6.509 -18.740 1.00 0.00 N ATOM 327 CA THR A 21 -2.069 5.487 -18.949 1.00 0.00 C ATOM 328 C THR A 21 -2.530 4.194 -18.298 1.00 0.00 C ATOM 329 O THR A 21 -3.631 4.126 -17.747 1.00 0.00 O ATOM 330 CB THR A 21 -0.698 5.834 -18.324 1.00 0.00 C ATOM 331 OG1 THR A 21 -0.854 6.196 -16.947 1.00 0.00 O ATOM 332 CG2 THR A 21 0.013 6.937 -19.077 1.00 0.00 C ATOM 0 H THR A 21 -3.171 6.837 -17.777 1.00 0.00 H new ATOM 0 HA THR A 21 -1.936 5.410 -20.028 1.00 0.00 H new ATOM 0 HB THR A 21 -0.078 4.940 -18.394 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.983 7.165 -16.876 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.971 7.145 -18.600 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.181 6.624 -20.107 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.600 7.838 -19.067 1.00 0.00 H new ATOM 340 N LYS A 22 -1.683 3.176 -18.333 1.00 0.00 N ATOM 341 CA LYS A 22 -1.938 1.966 -17.578 1.00 0.00 C ATOM 342 C LYS A 22 -1.276 2.036 -16.209 1.00 0.00 C ATOM 343 O LYS A 22 -1.294 1.068 -15.467 1.00 0.00 O ATOM 344 CB LYS A 22 -1.446 0.730 -18.328 1.00 0.00 C ATOM 345 CG LYS A 22 -2.386 0.273 -19.427 1.00 0.00 C ATOM 346 CD LYS A 22 -1.955 -1.062 -20.015 1.00 0.00 C ATOM 347 CE LYS A 22 -1.904 -2.165 -18.961 1.00 0.00 C ATOM 348 NZ LYS A 22 -3.249 -2.498 -18.414 1.00 0.00 N ATOM 0 H LYS A 22 -0.818 3.167 -18.874 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.017 1.883 -17.447 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.469 0.944 -18.762 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.308 -0.085 -17.617 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.397 0.186 -19.029 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.417 1.025 -20.215 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.647 -1.349 -20.806 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.972 -0.955 -20.475 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.462 -3.060 -19.399 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.251 -1.853 -18.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.328 -3.528 -18.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.376 -2.028 -17.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.983 -2.171 -19.074 1.00 0.00 H new ATOM 362 N HIS A 23 -0.702 3.187 -15.872 1.00 0.00 N ATOM 363 CA HIS A 23 -0.051 3.358 -14.571 1.00 0.00 C ATOM 364 C HIS A 23 -1.080 3.301 -13.453 1.00 0.00 C ATOM 365 O HIS A 23 -0.940 2.520 -12.518 1.00 0.00 O ATOM 366 CB HIS A 23 0.720 4.681 -14.502 1.00 0.00 C ATOM 367 CG HIS A 23 2.022 4.671 -15.237 1.00 0.00 C ATOM 368 ND1 HIS A 23 3.234 4.839 -14.611 1.00 0.00 N ATOM 369 CD2 HIS A 23 2.298 4.532 -16.554 1.00 0.00 C ATOM 370 CE1 HIS A 23 4.200 4.807 -15.507 1.00 0.00 C ATOM 371 NE2 HIS A 23 3.660 4.622 -16.697 1.00 0.00 N ATOM 0 H HIS A 23 -0.672 4.010 -16.473 1.00 0.00 H new ATOM 0 HA HIS A 23 0.661 2.542 -14.447 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.093 5.475 -14.907 1.00 0.00 H new ATOM 0 HB3 HIS A 23 0.908 4.925 -13.456 1.00 0.00 H new ATOM 0 HD2 HIS A 23 1.580 4.379 -17.346 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.255 4.914 -15.302 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.171 4.557 -17.578 1.00 0.00 H new ATOM 380 N ALA A 24 -2.125 4.113 -13.569 1.00 0.00 N ATOM 381 CA ALA A 24 -3.208 4.106 -12.592 1.00 0.00 C ATOM 382 C ALA A 24 -3.869 2.734 -12.554 1.00 0.00 C ATOM 383 O ALA A 24 -4.271 2.244 -11.497 1.00 0.00 O ATOM 384 CB ALA A 24 -4.230 5.181 -12.926 1.00 0.00 C ATOM 0 H ALA A 24 -2.245 4.783 -14.328 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.794 4.321 -11.607 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.032 5.163 -12.188 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.747 6.158 -12.914 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.645 4.994 -13.916 1.00 0.00 H new ATOM 390 N ASP A 25 -3.951 2.118 -13.723 1.00 0.00 N ATOM 391 CA ASP A 25 -4.508 0.782 -13.862 1.00 0.00 C ATOM 392 C ASP A 25 -3.645 -0.234 -13.116 1.00 0.00 C ATOM 393 O ASP A 25 -4.144 -0.999 -12.294 1.00 0.00 O ATOM 394 CB ASP A 25 -4.603 0.421 -15.346 1.00 0.00 C ATOM 395 CG ASP A 25 -5.249 -0.925 -15.588 1.00 0.00 C ATOM 396 OD1 ASP A 25 -6.444 -1.080 -15.264 1.00 0.00 O ATOM 397 OD2 ASP A 25 -4.576 -1.822 -16.134 1.00 0.00 O ATOM 0 H ASP A 25 -3.634 2.530 -14.601 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.507 0.762 -13.427 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.174 1.190 -15.865 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.603 0.420 -15.779 1.00 0.00 H new ATOM 402 N GLN A 26 -2.342 -0.205 -13.386 1.00 0.00 N ATOM 403 CA GLN A 26 -1.384 -1.097 -12.750 1.00 0.00 C ATOM 404 C GLN A 26 -1.322 -0.878 -11.240 1.00 0.00 C ATOM 405 O GLN A 26 -1.197 -1.838 -10.477 1.00 0.00 O ATOM 406 CB GLN A 26 -0.010 -0.893 -13.383 1.00 0.00 C ATOM 407 CG GLN A 26 0.100 -1.504 -14.768 1.00 0.00 C ATOM 408 CD GLN A 26 -0.096 -3.006 -14.763 1.00 0.00 C ATOM 409 OE1 GLN A 26 -1.220 -3.500 -14.876 1.00 0.00 O ATOM 410 NE2 GLN A 26 0.993 -3.747 -14.654 1.00 0.00 N ATOM 0 H GLN A 26 -1.923 0.441 -14.055 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.710 -2.125 -12.908 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.201 0.175 -13.445 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.751 -1.331 -12.737 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.643 -1.047 -15.422 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.079 -1.271 -15.186 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.906 -3.301 -14.562 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.920 -4.764 -14.662 1.00 0.00 H new ATOM 419 N TRP A 27 -1.410 0.380 -10.815 1.00 0.00 N ATOM 420 CA TRP A 27 -1.512 0.705 -9.397 1.00 0.00 C ATOM 421 C TRP A 27 -2.689 -0.034 -8.774 1.00 0.00 C ATOM 422 O TRP A 27 -2.560 -0.675 -7.729 1.00 0.00 O ATOM 423 CB TRP A 27 -1.698 2.214 -9.202 1.00 0.00 C ATOM 424 CG TRP A 27 -0.420 2.973 -8.991 1.00 0.00 C ATOM 425 CD1 TRP A 27 0.608 3.129 -9.876 1.00 0.00 C ATOM 426 CD2 TRP A 27 -0.048 3.699 -7.813 1.00 0.00 C ATOM 427 NE1 TRP A 27 1.596 3.905 -9.318 1.00 0.00 N ATOM 428 CE2 TRP A 27 1.216 4.268 -8.052 1.00 0.00 C ATOM 429 CE3 TRP A 27 -0.664 3.925 -6.578 1.00 0.00 C ATOM 430 CZ2 TRP A 27 1.877 5.045 -7.100 1.00 0.00 C ATOM 431 CZ3 TRP A 27 -0.008 4.694 -5.635 1.00 0.00 C ATOM 432 CH2 TRP A 27 1.250 5.248 -5.900 1.00 0.00 C ATOM 0 H TRP A 27 -1.413 1.191 -11.434 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.588 0.395 -8.908 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.208 2.621 -10.075 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.351 2.380 -8.345 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.640 2.705 -10.869 1.00 0.00 H new ATOM 0 HE1 TRP A 27 2.470 4.168 -9.773 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.636 3.506 -6.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.849 5.471 -7.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.474 4.871 -4.677 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.735 5.847 -5.143 1.00 0.00 H new ATOM 443 N THR A 28 -3.829 0.042 -9.447 1.00 0.00 N ATOM 444 CA THR A 28 -5.042 -0.595 -8.970 1.00 0.00 C ATOM 445 C THR A 28 -4.914 -2.117 -9.015 1.00 0.00 C ATOM 446 O THR A 28 -5.167 -2.793 -8.020 1.00 0.00 O ATOM 447 CB THR A 28 -6.260 -0.160 -9.805 1.00 0.00 C ATOM 448 OG1 THR A 28 -6.297 1.271 -9.911 1.00 0.00 O ATOM 449 CG2 THR A 28 -7.555 -0.653 -9.179 1.00 0.00 C ATOM 0 H THR A 28 -3.936 0.542 -10.330 1.00 0.00 H new ATOM 0 HA THR A 28 -5.190 -0.280 -7.937 1.00 0.00 H new ATOM 0 HB THR A 28 -6.163 -0.600 -10.798 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.560 1.576 -10.481 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.399 -0.332 -9.789 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.541 -1.741 -9.123 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.654 -0.240 -8.175 1.00 0.00 H new ATOM 457 N ASN A 29 -4.496 -2.643 -10.165 1.00 0.00 N ATOM 458 CA ASN A 29 -4.378 -4.076 -10.373 1.00 0.00 C ATOM 459 C ASN A 29 -3.492 -4.723 -9.315 1.00 0.00 C ATOM 460 O ASN A 29 -3.853 -5.746 -8.739 1.00 0.00 O ATOM 461 CB ASN A 29 -3.796 -4.356 -11.758 1.00 0.00 C ATOM 462 CG ASN A 29 -4.729 -3.979 -12.894 1.00 0.00 C ATOM 463 OD1 ASN A 29 -5.953 -4.018 -12.754 1.00 0.00 O ATOM 464 ND2 ASN A 29 -4.153 -3.621 -14.036 1.00 0.00 N ATOM 0 H ASN A 29 -4.231 -2.084 -10.976 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.377 -4.505 -10.295 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.861 -3.806 -11.868 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.553 -5.416 -11.834 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.728 -3.365 -14.839 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.136 -3.602 -14.110 1.00 0.00 H new ATOM 471 N THR A 30 -2.339 -4.117 -9.057 1.00 0.00 N ATOM 472 CA THR A 30 -1.371 -4.682 -8.125 1.00 0.00 C ATOM 473 C THR A 30 -1.939 -4.751 -6.705 1.00 0.00 C ATOM 474 O THR A 30 -1.927 -5.811 -6.074 1.00 0.00 O ATOM 475 CB THR A 30 -0.063 -3.867 -8.120 1.00 0.00 C ATOM 476 OG1 THR A 30 0.424 -3.722 -9.461 1.00 0.00 O ATOM 477 CG2 THR A 30 1.002 -4.541 -7.269 1.00 0.00 C ATOM 0 H THR A 30 -2.052 -3.234 -9.480 1.00 0.00 H new ATOM 0 HA THR A 30 -1.154 -5.695 -8.464 1.00 0.00 H new ATOM 0 HB THR A 30 -0.278 -2.887 -7.694 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.104 -2.875 -9.836 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.913 -3.943 -7.285 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.645 -4.631 -6.243 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.213 -5.533 -7.668 1.00 0.00 H new ATOM 485 N ILE A 31 -2.455 -3.628 -6.213 1.00 0.00 N ATOM 486 CA ILE A 31 -2.997 -3.565 -4.859 1.00 0.00 C ATOM 487 C ILE A 31 -4.226 -4.462 -4.729 1.00 0.00 C ATOM 488 O ILE A 31 -4.386 -5.184 -3.742 1.00 0.00 O ATOM 489 CB ILE A 31 -3.371 -2.118 -4.460 1.00 0.00 C ATOM 490 CG1 ILE A 31 -2.142 -1.207 -4.544 1.00 0.00 C ATOM 491 CG2 ILE A 31 -3.964 -2.087 -3.054 1.00 0.00 C ATOM 492 CD1 ILE A 31 -2.435 0.249 -4.239 1.00 0.00 C ATOM 0 H ILE A 31 -2.509 -2.751 -6.731 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.217 -3.917 -4.184 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.123 -1.750 -5.158 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.385 -1.569 -3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.715 -1.280 -5.544 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.221 -1.061 -2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.861 -2.705 -3.024 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.234 -2.472 -2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.516 0.830 -4.319 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.168 0.630 -4.951 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.832 0.336 -3.228 1.00 0.00 H new ATOM 504 N LYS A 32 -5.069 -4.425 -5.752 1.00 0.00 N ATOM 505 CA LYS A 32 -6.286 -5.229 -5.798 1.00 0.00 C ATOM 506 C LYS A 32 -5.955 -6.715 -5.703 1.00 0.00 C ATOM 507 O LYS A 32 -6.677 -7.486 -5.077 1.00 0.00 O ATOM 508 CB LYS A 32 -7.033 -4.941 -7.105 1.00 0.00 C ATOM 509 CG LYS A 32 -8.376 -5.643 -7.236 1.00 0.00 C ATOM 510 CD LYS A 32 -9.047 -5.313 -8.562 1.00 0.00 C ATOM 511 CE LYS A 32 -8.202 -5.758 -9.748 1.00 0.00 C ATOM 512 NZ LYS A 32 -8.877 -5.490 -11.048 1.00 0.00 N ATOM 0 H LYS A 32 -4.930 -3.837 -6.574 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.917 -4.966 -4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.191 -3.866 -7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.400 -5.236 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.234 -6.721 -7.156 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.026 -5.345 -6.413 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.022 -5.799 -8.607 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.223 -4.239 -8.623 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.243 -5.240 -9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.991 -6.824 -9.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.267 -5.808 -11.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.780 -6.004 -11.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.056 -4.470 -11.143 1.00 0.00 H new ATOM 526 N THR A 33 -4.845 -7.103 -6.310 1.00 0.00 N ATOM 527 CA THR A 33 -4.463 -8.506 -6.366 1.00 0.00 C ATOM 528 C THR A 33 -3.813 -8.975 -5.061 1.00 0.00 C ATOM 529 O THR A 33 -4.235 -9.970 -4.473 1.00 0.00 O ATOM 530 CB THR A 33 -3.500 -8.765 -7.545 1.00 0.00 C ATOM 531 OG1 THR A 33 -4.130 -8.386 -8.776 1.00 0.00 O ATOM 532 CG2 THR A 33 -3.090 -10.228 -7.618 1.00 0.00 C ATOM 0 H THR A 33 -4.193 -6.468 -6.770 1.00 0.00 H new ATOM 0 HA THR A 33 -5.379 -9.078 -6.514 1.00 0.00 H new ATOM 0 HB THR A 33 -2.603 -8.166 -7.383 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.336 -7.428 -8.757 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.412 -10.374 -8.459 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.587 -10.512 -6.693 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.976 -10.848 -7.754 1.00 0.00 H new ATOM 540 N TYR A 34 -2.798 -8.253 -4.611 1.00 0.00 N ATOM 541 CA TYR A 34 -2.021 -8.676 -3.449 1.00 0.00 C ATOM 542 C TYR A 34 -2.725 -8.377 -2.127 1.00 0.00 C ATOM 543 O TYR A 34 -2.778 -9.225 -1.240 1.00 0.00 O ATOM 544 CB TYR A 34 -0.638 -8.023 -3.468 1.00 0.00 C ATOM 545 CG TYR A 34 0.278 -8.574 -4.541 1.00 0.00 C ATOM 546 CD1 TYR A 34 1.025 -9.724 -4.319 1.00 0.00 C ATOM 547 CD2 TYR A 34 0.393 -7.947 -5.774 1.00 0.00 C ATOM 548 CE1 TYR A 34 1.860 -10.232 -5.295 1.00 0.00 C ATOM 549 CE2 TYR A 34 1.226 -8.451 -6.756 1.00 0.00 C ATOM 550 CZ TYR A 34 1.957 -9.593 -6.510 1.00 0.00 C ATOM 551 OH TYR A 34 2.789 -10.098 -7.483 1.00 0.00 O ATOM 0 H TYR A 34 -2.492 -7.374 -5.029 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.916 -9.759 -3.517 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.754 -6.950 -3.617 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.167 -8.160 -2.495 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.952 -10.229 -3.367 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.177 -7.051 -5.970 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.434 -11.127 -5.105 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.303 -7.952 -7.711 1.00 0.00 H new ATOM 0 HH TYR A 34 2.742 -9.531 -8.281 1.00 0.00 H new ATOM 561 N CYS A 35 -3.265 -7.177 -1.993 1.00 0.00 N ATOM 562 CA CYS A 35 -3.807 -6.738 -0.712 1.00 0.00 C ATOM 563 C CYS A 35 -5.311 -6.979 -0.624 1.00 0.00 C ATOM 564 O CYS A 35 -5.892 -6.916 0.461 1.00 0.00 O ATOM 565 CB CYS A 35 -3.493 -5.258 -0.499 1.00 0.00 C ATOM 566 SG CYS A 35 -1.729 -4.875 -0.608 1.00 0.00 S ATOM 0 H CYS A 35 -3.341 -6.493 -2.746 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.335 -7.327 0.075 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.032 -4.669 -1.242 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.864 -4.953 0.480 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.326 -4.362 0.516 1.00 0.00 H new ATOM 572 N GLY A 36 -5.919 -7.276 -1.768 1.00 0.00 N ATOM 573 CA GLY A 36 -7.354 -7.512 -1.843 1.00 0.00 C ATOM 574 C GLY A 36 -7.853 -8.566 -0.864 1.00 0.00 C ATOM 575 O GLY A 36 -8.660 -8.256 0.012 1.00 0.00 O ATOM 0 H GLY A 36 -5.434 -7.359 -2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.878 -6.575 -1.653 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.610 -7.820 -2.857 1.00 0.00 H new ATOM 579 N PRO A 37 -7.405 -9.830 -0.999 1.00 0.00 N ATOM 580 CA PRO A 37 -7.875 -10.940 -0.157 1.00 0.00 C ATOM 581 C PRO A 37 -7.658 -10.712 1.341 1.00 0.00 C ATOM 582 O PRO A 37 -8.391 -11.256 2.169 1.00 0.00 O ATOM 583 CB PRO A 37 -7.047 -12.144 -0.635 1.00 0.00 C ATOM 584 CG PRO A 37 -5.908 -11.562 -1.397 1.00 0.00 C ATOM 585 CD PRO A 37 -6.426 -10.289 -1.995 1.00 0.00 C ATOM 0 HA PRO A 37 -8.952 -11.070 -0.259 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.693 -12.737 0.208 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.643 -12.806 -1.263 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.058 -11.369 -0.743 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.565 -12.247 -2.172 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.630 -9.560 -2.144 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.889 -10.459 -2.967 1.00 0.00 H new ATOM 593 N VAL A 38 -6.666 -9.903 1.690 1.00 0.00 N ATOM 594 CA VAL A 38 -6.311 -9.710 3.091 1.00 0.00 C ATOM 595 C VAL A 38 -6.983 -8.472 3.684 1.00 0.00 C ATOM 596 O VAL A 38 -7.918 -8.586 4.474 1.00 0.00 O ATOM 597 CB VAL A 38 -4.784 -9.597 3.285 1.00 0.00 C ATOM 598 CG1 VAL A 38 -4.431 -9.559 4.766 1.00 0.00 C ATOM 599 CG2 VAL A 38 -4.069 -10.749 2.594 1.00 0.00 C ATOM 0 H VAL A 38 -6.097 -9.374 1.029 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.671 -10.594 3.617 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.451 -8.664 2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.350 -9.479 4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.910 -8.698 5.232 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.780 -10.473 5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.994 -10.651 2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.409 -11.694 3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.291 -10.728 1.527 1.00 0.00 H new ATOM 609 N ILE A 39 -6.520 -7.294 3.288 1.00 0.00 N ATOM 610 CA ILE A 39 -6.971 -6.052 3.908 1.00 0.00 C ATOM 611 C ILE A 39 -7.927 -5.288 3.001 1.00 0.00 C ATOM 612 O ILE A 39 -8.334 -4.174 3.321 1.00 0.00 O ATOM 613 CB ILE A 39 -5.781 -5.140 4.277 1.00 0.00 C ATOM 614 CG1 ILE A 39 -4.908 -4.869 3.047 1.00 0.00 C ATOM 615 CG2 ILE A 39 -4.963 -5.772 5.394 1.00 0.00 C ATOM 616 CD1 ILE A 39 -3.727 -3.961 3.324 1.00 0.00 C ATOM 0 H ILE A 39 -5.835 -7.171 2.543 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.498 -6.334 4.819 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.169 -4.185 4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.541 -5.818 2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.524 -4.421 2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.127 -5.120 5.646 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.593 -5.910 6.273 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.583 -6.739 5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.157 -3.816 2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.086 -2.997 3.685 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.088 -4.416 4.080 1.00 0.00 H new ATOM 628 N GLY A 40 -8.291 -5.906 1.883 1.00 0.00 N ATOM 629 CA GLY A 40 -9.171 -5.270 0.918 1.00 0.00 C ATOM 630 C GLY A 40 -10.505 -4.837 1.504 1.00 0.00 C ATOM 631 O GLY A 40 -10.794 -3.639 1.560 1.00 0.00 O ATOM 0 H GLY A 40 -7.989 -6.846 1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.668 -4.399 0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.352 -5.960 0.094 1.00 0.00 H new ATOM 635 N PRO A 41 -11.345 -5.788 1.951 1.00 0.00 N ATOM 636 CA PRO A 41 -12.670 -5.476 2.494 1.00 0.00 C ATOM 637 C PRO A 41 -12.619 -4.953 3.928 1.00 0.00 C ATOM 638 O PRO A 41 -13.653 -4.647 4.526 1.00 0.00 O ATOM 639 CB PRO A 41 -13.389 -6.822 2.438 1.00 0.00 C ATOM 640 CG PRO A 41 -12.305 -7.828 2.605 1.00 0.00 C ATOM 641 CD PRO A 41 -11.083 -7.242 1.947 1.00 0.00 C ATOM 0 HA PRO A 41 -13.163 -4.682 1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.135 -6.907 3.228 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.911 -6.954 1.491 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.120 -8.030 3.660 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.579 -8.776 2.143 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.175 -7.487 2.499 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.953 -7.622 0.934 1.00 0.00 H new ATOM 649 N LEU A 42 -11.418 -4.847 4.476 1.00 0.00 N ATOM 650 CA LEU A 42 -11.243 -4.329 5.823 1.00 0.00 C ATOM 651 C LEU A 42 -11.203 -2.807 5.790 1.00 0.00 C ATOM 652 O LEU A 42 -10.961 -2.212 4.739 1.00 0.00 O ATOM 653 CB LEU A 42 -9.955 -4.874 6.450 1.00 0.00 C ATOM 654 CG LEU A 42 -9.881 -6.397 6.568 1.00 0.00 C ATOM 655 CD1 LEU A 42 -8.590 -6.812 7.253 1.00 0.00 C ATOM 656 CD2 LEU A 42 -11.082 -6.933 7.333 1.00 0.00 C ATOM 0 H LEU A 42 -10.551 -5.113 4.009 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.086 -4.654 6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.108 -4.530 5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.844 -4.443 7.445 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.895 -6.821 5.564 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.552 -7.899 7.330 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.739 -6.459 6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.551 -6.376 8.251 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.012 -8.018 7.407 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.098 -6.502 8.334 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.998 -6.664 6.807 1.00 0.00 H new ATOM 668 N SER A 43 -11.460 -2.180 6.927 1.00 0.00 N ATOM 669 CA SER A 43 -11.406 -0.731 7.011 1.00 0.00 C ATOM 670 C SER A 43 -9.980 -0.239 6.797 1.00 0.00 C ATOM 671 O SER A 43 -9.023 -0.851 7.274 1.00 0.00 O ATOM 672 CB SER A 43 -11.929 -0.245 8.365 1.00 0.00 C ATOM 673 OG SER A 43 -11.854 1.170 8.463 1.00 0.00 O ATOM 0 H SER A 43 -11.706 -2.649 7.799 1.00 0.00 H new ATOM 0 HA SER A 43 -12.043 -0.323 6.226 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.962 -0.568 8.497 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.348 -0.700 9.167 1.00 0.00 H new ATOM 0 HG SER A 43 -12.195 1.456 9.336 1.00 0.00 H new ATOM 679 N VAL A 44 -9.844 0.874 6.090 1.00 0.00 N ATOM 680 CA VAL A 44 -8.540 1.483 5.874 1.00 0.00 C ATOM 681 C VAL A 44 -7.959 1.973 7.207 1.00 0.00 C ATOM 682 O VAL A 44 -6.752 2.187 7.339 1.00 0.00 O ATOM 683 CB VAL A 44 -8.633 2.644 4.856 1.00 0.00 C ATOM 684 CG1 VAL A 44 -9.561 3.743 5.358 1.00 0.00 C ATOM 685 CG2 VAL A 44 -7.251 3.195 4.524 1.00 0.00 C ATOM 0 H VAL A 44 -10.621 1.373 5.656 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.872 0.729 5.458 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.061 2.247 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.606 4.545 4.622 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.560 3.334 5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.182 4.137 6.301 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.347 4.010 3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.779 3.566 5.434 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.637 2.403 4.094 1.00 0.00 H new ATOM 695 N GLN A 45 -8.831 2.135 8.199 1.00 0.00 N ATOM 696 CA GLN A 45 -8.400 2.491 9.544 1.00 0.00 C ATOM 697 C GLN A 45 -7.998 1.237 10.311 1.00 0.00 C ATOM 698 O GLN A 45 -7.141 1.277 11.192 1.00 0.00 O ATOM 699 CB GLN A 45 -9.517 3.220 10.289 1.00 0.00 C ATOM 700 CG GLN A 45 -9.125 3.644 11.695 1.00 0.00 C ATOM 701 CD GLN A 45 -10.221 4.411 12.391 1.00 0.00 C ATOM 702 OE1 GLN A 45 -11.406 4.186 12.144 1.00 0.00 O ATOM 703 NE2 GLN A 45 -9.831 5.311 13.276 1.00 0.00 N ATOM 0 H GLN A 45 -9.840 2.025 8.095 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.540 3.156 9.468 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.809 4.102 9.719 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.392 2.572 10.343 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.875 2.760 12.282 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.227 4.260 11.649 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.837 5.462 13.446 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.524 5.855 13.789 1.00 0.00 H new ATOM 712 N ASP A 46 -8.611 0.117 9.951 1.00 0.00 N ATOM 713 CA ASP A 46 -8.379 -1.143 10.645 1.00 0.00 C ATOM 714 C ASP A 46 -7.057 -1.771 10.213 1.00 0.00 C ATOM 715 O ASP A 46 -6.484 -2.585 10.937 1.00 0.00 O ATOM 716 CB ASP A 46 -9.529 -2.116 10.377 1.00 0.00 C ATOM 717 CG ASP A 46 -9.529 -3.291 11.331 1.00 0.00 C ATOM 718 OD1 ASP A 46 -10.003 -3.123 12.476 1.00 0.00 O ATOM 719 OD2 ASP A 46 -9.086 -4.390 10.939 1.00 0.00 O ATOM 0 H ASP A 46 -9.275 0.056 9.179 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.328 -0.934 11.714 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.477 -1.585 10.460 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.459 -2.483 9.353 1.00 0.00 H new ATOM 724 N VAL A 47 -6.584 -1.389 9.026 1.00 0.00 N ATOM 725 CA VAL A 47 -5.312 -1.883 8.502 1.00 0.00 C ATOM 726 C VAL A 47 -4.169 -1.555 9.459 1.00 0.00 C ATOM 727 O VAL A 47 -3.729 -0.408 9.557 1.00 0.00 O ATOM 728 CB VAL A 47 -4.999 -1.295 7.106 1.00 0.00 C ATOM 729 CG1 VAL A 47 -3.672 -1.827 6.583 1.00 0.00 C ATOM 730 CG2 VAL A 47 -6.122 -1.608 6.128 1.00 0.00 C ATOM 0 H VAL A 47 -7.066 -0.736 8.408 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.406 -2.965 8.406 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.920 -0.212 7.203 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.471 -1.401 5.600 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.872 -1.549 7.269 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.721 -2.913 6.504 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.883 -1.186 5.152 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.236 -2.688 6.038 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.053 -1.174 6.492 1.00 0.00 H new ATOM 740 N ASP A 48 -3.710 -2.571 10.174 1.00 0.00 N ATOM 741 CA ASP A 48 -2.666 -2.404 11.173 1.00 0.00 C ATOM 742 C ASP A 48 -1.353 -2.987 10.680 1.00 0.00 C ATOM 743 O ASP A 48 -1.320 -3.733 9.700 1.00 0.00 O ATOM 744 CB ASP A 48 -3.092 -3.080 12.480 1.00 0.00 C ATOM 745 CG ASP A 48 -2.062 -2.985 13.588 1.00 0.00 C ATOM 746 OD1 ASP A 48 -2.018 -1.947 14.277 1.00 0.00 O ATOM 747 OD2 ASP A 48 -1.300 -3.957 13.782 1.00 0.00 O ATOM 0 H ASP A 48 -4.048 -3.529 10.079 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.517 -1.339 11.352 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.023 -2.629 12.824 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.301 -4.131 12.282 1.00 0.00 H new ATOM 752 N THR A 49 -0.281 -2.651 11.378 1.00 0.00 N ATOM 753 CA THR A 49 1.058 -3.104 11.030 1.00 0.00 C ATOM 754 C THR A 49 1.139 -4.632 11.013 1.00 0.00 C ATOM 755 O THR A 49 1.813 -5.217 10.163 1.00 0.00 O ATOM 756 CB THR A 49 2.095 -2.545 12.022 1.00 0.00 C ATOM 757 OG1 THR A 49 1.942 -1.125 12.130 1.00 0.00 O ATOM 758 CG2 THR A 49 3.514 -2.865 11.571 1.00 0.00 C ATOM 0 H THR A 49 -0.314 -2.055 12.205 1.00 0.00 H new ATOM 0 HA THR A 49 1.280 -2.732 10.030 1.00 0.00 H new ATOM 0 HB THR A 49 1.925 -3.014 12.991 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.602 -0.772 12.763 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.225 -2.458 12.290 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.641 -3.946 11.507 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.694 -2.420 10.592 1.00 0.00 H new ATOM 766 N LYS A 50 0.430 -5.268 11.939 1.00 0.00 N ATOM 767 CA LYS A 50 0.410 -6.721 12.036 1.00 0.00 C ATOM 768 C LYS A 50 -0.172 -7.324 10.760 1.00 0.00 C ATOM 769 O LYS A 50 0.355 -8.295 10.217 1.00 0.00 O ATOM 770 CB LYS A 50 -0.424 -7.151 13.243 1.00 0.00 C ATOM 771 CG LYS A 50 -0.250 -8.610 13.624 1.00 0.00 C ATOM 772 CD LYS A 50 -1.187 -9.001 14.755 1.00 0.00 C ATOM 773 CE LYS A 50 -0.899 -10.403 15.262 1.00 0.00 C ATOM 774 NZ LYS A 50 -1.930 -10.860 16.228 1.00 0.00 N ATOM 0 H LYS A 50 -0.142 -4.795 12.638 1.00 0.00 H new ATOM 0 HA LYS A 50 1.431 -7.081 12.162 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.157 -6.529 14.097 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.477 -6.965 13.030 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.442 -9.240 12.756 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.782 -8.789 13.926 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.085 -8.289 15.574 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.219 -8.944 14.409 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.858 -11.093 14.420 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.081 -10.423 15.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.700 -11.821 16.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.952 -10.215 17.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.861 -10.864 15.765 1.00 0.00 H new ATOM 788 N LEU A 51 -1.252 -6.721 10.280 1.00 0.00 N ATOM 789 CA LEU A 51 -1.894 -7.156 9.052 1.00 0.00 C ATOM 790 C LEU A 51 -0.987 -6.877 7.857 1.00 0.00 C ATOM 791 O LEU A 51 -0.900 -7.680 6.927 1.00 0.00 O ATOM 792 CB LEU A 51 -3.234 -6.437 8.884 1.00 0.00 C ATOM 793 CG LEU A 51 -4.255 -6.686 9.996 1.00 0.00 C ATOM 794 CD1 LEU A 51 -5.529 -5.895 9.737 1.00 0.00 C ATOM 795 CD2 LEU A 51 -4.562 -8.173 10.123 1.00 0.00 C ATOM 0 H LEU A 51 -1.703 -5.923 10.728 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.075 -8.230 9.105 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.047 -5.365 8.819 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.674 -6.742 7.935 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.825 -6.346 10.938 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.244 -6.084 10.538 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.296 -4.831 9.703 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.961 -6.203 8.785 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.290 -8.327 10.919 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.970 -8.542 9.182 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.646 -8.715 10.359 1.00 0.00 H new ATOM 807 N ILE A 52 -0.309 -5.737 7.900 1.00 0.00 N ATOM 808 CA ILE A 52 0.644 -5.352 6.867 1.00 0.00 C ATOM 809 C ILE A 52 1.746 -6.402 6.716 1.00 0.00 C ATOM 810 O ILE A 52 2.161 -6.726 5.598 1.00 0.00 O ATOM 811 CB ILE A 52 1.264 -3.973 7.191 1.00 0.00 C ATOM 812 CG1 ILE A 52 0.219 -2.873 7.006 1.00 0.00 C ATOM 813 CG2 ILE A 52 2.490 -3.700 6.334 1.00 0.00 C ATOM 814 CD1 ILE A 52 0.719 -1.486 7.353 1.00 0.00 C ATOM 0 H ILE A 52 -0.404 -5.054 8.651 1.00 0.00 H new ATOM 0 HA ILE A 52 0.105 -5.284 5.922 1.00 0.00 H new ATOM 0 HB ILE A 52 1.588 -3.982 8.232 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.119 -2.878 5.970 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.648 -3.101 7.626 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.901 -2.723 6.587 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.241 -4.468 6.518 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.208 -3.713 5.281 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.080 -0.761 7.196 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.030 -1.462 8.397 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.567 -1.235 6.716 1.00 0.00 H new ATOM 826 N MET A 53 2.202 -6.937 7.841 1.00 0.00 N ATOM 827 CA MET A 53 3.214 -7.987 7.839 1.00 0.00 C ATOM 828 C MET A 53 2.687 -9.239 7.149 1.00 0.00 C ATOM 829 O MET A 53 3.382 -9.856 6.343 1.00 0.00 O ATOM 830 CB MET A 53 3.635 -8.331 9.269 1.00 0.00 C ATOM 831 CG MET A 53 4.325 -7.194 10.007 1.00 0.00 C ATOM 832 SD MET A 53 4.774 -7.639 11.696 1.00 0.00 S ATOM 833 CE MET A 53 5.512 -6.109 12.266 1.00 0.00 C ATOM 0 H MET A 53 1.886 -6.660 8.770 1.00 0.00 H new ATOM 0 HA MET A 53 4.081 -7.617 7.291 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.752 -8.632 9.833 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.305 -9.191 9.242 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.222 -6.902 9.461 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.667 -6.325 10.026 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.347 -6.333 12.930 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.872 -5.538 11.410 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.767 -5.524 12.805 1.00 0.00 H new ATOM 843 N LYS A 54 1.445 -9.594 7.463 1.00 0.00 N ATOM 844 CA LYS A 54 0.806 -10.776 6.891 1.00 0.00 C ATOM 845 C LYS A 54 0.716 -10.671 5.371 1.00 0.00 C ATOM 846 O LYS A 54 0.891 -11.661 4.662 1.00 0.00 O ATOM 847 CB LYS A 54 -0.592 -10.967 7.488 1.00 0.00 C ATOM 848 CG LYS A 54 -0.589 -11.192 8.994 1.00 0.00 C ATOM 849 CD LYS A 54 -2.001 -11.370 9.539 1.00 0.00 C ATOM 850 CE LYS A 54 -2.682 -12.609 8.971 1.00 0.00 C ATOM 851 NZ LYS A 54 -1.940 -13.854 9.301 1.00 0.00 N ATOM 0 H LYS A 54 0.857 -9.076 8.115 1.00 0.00 H new ATOM 0 HA LYS A 54 1.420 -11.642 7.138 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.197 -10.089 7.262 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.071 -11.818 7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.006 -12.075 9.229 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.112 -10.345 9.488 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.963 -11.444 10.626 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.595 -10.488 9.300 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.697 -12.677 9.364 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.765 -12.513 7.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.531 -14.680 9.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.064 -13.894 8.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.705 -13.860 10.314 1.00 0.00 H new ATOM 865 N VAL A 55 0.442 -9.465 4.882 1.00 0.00 N ATOM 866 CA VAL A 55 0.329 -9.224 3.450 1.00 0.00 C ATOM 867 C VAL A 55 1.678 -9.382 2.751 1.00 0.00 C ATOM 868 O VAL A 55 1.759 -9.952 1.668 1.00 0.00 O ATOM 869 CB VAL A 55 -0.222 -7.808 3.155 1.00 0.00 C ATOM 870 CG1 VAL A 55 -0.385 -7.588 1.657 1.00 0.00 C ATOM 871 CG2 VAL A 55 -1.546 -7.587 3.867 1.00 0.00 C ATOM 0 H VAL A 55 0.294 -8.638 5.460 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.368 -9.968 3.064 1.00 0.00 H new ATOM 0 HB VAL A 55 0.500 -7.083 3.531 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.774 -6.586 1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.582 -7.696 1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.080 -8.325 1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.915 -6.586 3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.271 -8.325 3.524 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.403 -7.692 4.942 1.00 0.00 H new ATOM 881 N LEU A 56 2.734 -8.881 3.382 1.00 0.00 N ATOM 882 CA LEU A 56 4.060 -8.879 2.771 1.00 0.00 C ATOM 883 C LEU A 56 4.696 -10.264 2.780 1.00 0.00 C ATOM 884 O LEU A 56 5.552 -10.554 1.947 1.00 0.00 O ATOM 885 CB LEU A 56 4.985 -7.893 3.488 1.00 0.00 C ATOM 886 CG LEU A 56 4.753 -6.417 3.164 1.00 0.00 C ATOM 887 CD1 LEU A 56 5.727 -5.545 3.943 1.00 0.00 C ATOM 888 CD2 LEU A 56 4.894 -6.165 1.668 1.00 0.00 C ATOM 0 H LEU A 56 2.699 -8.471 4.315 1.00 0.00 H new ATOM 0 HA LEU A 56 3.928 -8.570 1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.873 -8.033 4.563 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.016 -8.144 3.240 1.00 0.00 H new ATOM 0 HG LEU A 56 3.737 -6.156 3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.550 -4.497 3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.581 -5.701 5.012 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.749 -5.811 3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.725 -5.109 1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.897 -6.443 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.161 -6.763 1.128 1.00 0.00 H new ATOM 900 N ASP A 57 4.268 -11.106 3.710 1.00 0.00 N ATOM 901 CA ASP A 57 4.872 -12.426 3.912 1.00 0.00 C ATOM 902 C ASP A 57 5.025 -13.212 2.596 1.00 0.00 C ATOM 903 O ASP A 57 6.131 -13.633 2.259 1.00 0.00 O ATOM 904 CB ASP A 57 4.056 -13.234 4.923 1.00 0.00 C ATOM 905 CG ASP A 57 4.868 -14.341 5.558 1.00 0.00 C ATOM 906 OD1 ASP A 57 5.551 -14.074 6.571 1.00 0.00 O ATOM 907 OD2 ASP A 57 4.824 -15.481 5.058 1.00 0.00 O ATOM 0 H ASP A 57 3.497 -10.900 4.345 1.00 0.00 H new ATOM 0 HA ASP A 57 5.876 -12.263 4.305 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.682 -12.568 5.701 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.186 -13.663 4.425 1.00 0.00 H new ATOM 912 N PRO A 58 3.934 -13.414 1.823 1.00 0.00 N ATOM 913 CA PRO A 58 4.008 -14.134 0.545 1.00 0.00 C ATOM 914 C PRO A 58 4.627 -13.295 -0.574 1.00 0.00 C ATOM 915 O PRO A 58 5.123 -13.833 -1.567 1.00 0.00 O ATOM 916 CB PRO A 58 2.542 -14.441 0.235 1.00 0.00 C ATOM 917 CG PRO A 58 1.778 -13.346 0.897 1.00 0.00 C ATOM 918 CD PRO A 58 2.554 -12.985 2.131 1.00 0.00 C ATOM 0 HA PRO A 58 4.644 -15.017 0.613 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.360 -14.458 -0.839 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.251 -15.417 0.623 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.676 -12.486 0.235 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.770 -13.673 1.152 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.505 -11.915 2.335 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.164 -13.496 3.011 1.00 0.00 H new ATOM 926 N ILE A 59 4.616 -11.978 -0.406 1.00 0.00 N ATOM 927 CA ILE A 59 5.075 -11.075 -1.458 1.00 0.00 C ATOM 928 C ILE A 59 6.598 -11.019 -1.514 1.00 0.00 C ATOM 929 O ILE A 59 7.175 -10.994 -2.601 1.00 0.00 O ATOM 930 CB ILE A 59 4.512 -9.648 -1.287 1.00 0.00 C ATOM 931 CG1 ILE A 59 2.988 -9.691 -1.188 1.00 0.00 C ATOM 932 CG2 ILE A 59 4.931 -8.769 -2.460 1.00 0.00 C ATOM 933 CD1 ILE A 59 2.353 -8.327 -1.014 1.00 0.00 C ATOM 0 H ILE A 59 4.296 -11.512 0.443 1.00 0.00 H new ATOM 0 HA ILE A 59 4.697 -11.480 -2.397 1.00 0.00 H new ATOM 0 HB ILE A 59 4.916 -9.224 -0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.587 -10.157 -2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.705 -10.324 -0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.527 -7.766 -2.326 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.019 -8.719 -2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.548 -9.193 -3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.270 -8.435 -0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.725 -7.866 -0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.606 -7.697 -1.866 1.00 0.00 H new ATOM 945 N TRP A 60 7.246 -11.018 -0.349 1.00 0.00 N ATOM 946 CA TRP A 60 8.711 -10.991 -0.285 1.00 0.00 C ATOM 947 C TRP A 60 9.317 -12.211 -0.973 1.00 0.00 C ATOM 948 O TRP A 60 10.436 -12.160 -1.488 1.00 0.00 O ATOM 949 CB TRP A 60 9.200 -10.943 1.168 1.00 0.00 C ATOM 950 CG TRP A 60 9.028 -9.610 1.831 1.00 0.00 C ATOM 951 CD1 TRP A 60 8.184 -9.311 2.857 1.00 0.00 C ATOM 952 CD2 TRP A 60 9.727 -8.397 1.523 1.00 0.00 C ATOM 953 NE1 TRP A 60 8.305 -7.986 3.200 1.00 0.00 N ATOM 954 CE2 TRP A 60 9.245 -7.404 2.395 1.00 0.00 C ATOM 955 CE3 TRP A 60 10.712 -8.054 0.592 1.00 0.00 C ATOM 956 CZ2 TRP A 60 9.712 -6.094 2.365 1.00 0.00 C ATOM 957 CZ3 TRP A 60 11.175 -6.752 0.564 1.00 0.00 C ATOM 958 CH2 TRP A 60 10.675 -5.785 1.445 1.00 0.00 C ATOM 0 H TRP A 60 6.784 -11.035 0.560 1.00 0.00 H new ATOM 0 HA TRP A 60 9.035 -10.089 -0.804 1.00 0.00 H new ATOM 0 HB2 TRP A 60 8.663 -11.695 1.745 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.255 -11.215 1.194 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.516 -10.014 3.332 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.779 -7.513 3.935 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.104 -8.792 -0.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.328 -5.348 3.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 11.936 -6.475 -0.150 1.00 0.00 H new ATOM 0 HH2 TRP A 60 11.057 -4.776 1.397 1.00 0.00 H new ATOM 969 N GLU A 61 8.571 -13.302 -0.975 1.00 0.00 N ATOM 970 CA GLU A 61 9.022 -14.543 -1.552 1.00 0.00 C ATOM 971 C GLU A 61 8.902 -14.519 -3.073 1.00 0.00 C ATOM 972 O GLU A 61 9.636 -15.213 -3.779 1.00 0.00 O ATOM 973 CB GLU A 61 8.180 -15.666 -0.972 1.00 0.00 C ATOM 974 CG GLU A 61 8.331 -15.835 0.534 1.00 0.00 C ATOM 975 CD GLU A 61 9.699 -16.341 0.938 1.00 0.00 C ATOM 976 OE1 GLU A 61 10.672 -15.555 0.905 1.00 0.00 O ATOM 977 OE2 GLU A 61 9.811 -17.536 1.282 1.00 0.00 O ATOM 0 H GLU A 61 7.634 -13.346 -0.574 1.00 0.00 H new ATOM 0 HA GLU A 61 10.075 -14.696 -1.313 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.132 -15.478 -1.203 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.452 -16.601 -1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.145 -14.878 1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.572 -16.529 0.894 1.00 0.00 H new ATOM 984 N GLN A 62 7.971 -13.725 -3.571 1.00 0.00 N ATOM 985 CA GLN A 62 7.755 -13.604 -5.003 1.00 0.00 C ATOM 986 C GLN A 62 8.512 -12.415 -5.586 1.00 0.00 C ATOM 987 O GLN A 62 9.397 -12.582 -6.428 1.00 0.00 O ATOM 988 CB GLN A 62 6.263 -13.457 -5.297 1.00 0.00 C ATOM 989 CG GLN A 62 5.465 -14.728 -5.061 1.00 0.00 C ATOM 990 CD GLN A 62 3.995 -14.570 -5.401 1.00 0.00 C ATOM 991 OE1 GLN A 62 3.417 -13.495 -5.246 1.00 0.00 O ATOM 992 NE2 GLN A 62 3.385 -15.642 -5.879 1.00 0.00 N ATOM 0 H GLN A 62 7.349 -13.151 -3.002 1.00 0.00 H new ATOM 0 HA GLN A 62 8.135 -14.511 -5.473 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.856 -12.662 -4.673 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.135 -13.146 -6.334 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.888 -15.534 -5.661 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.562 -15.024 -4.016 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.901 -16.515 -5.992 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.399 -15.596 -6.135 1.00 0.00 H new ATOM 1001 N LYS A 63 8.172 -11.221 -5.124 1.00 0.00 N ATOM 1002 CA LYS A 63 8.701 -9.993 -5.703 1.00 0.00 C ATOM 1003 C LYS A 63 9.214 -9.056 -4.609 1.00 0.00 C ATOM 1004 O LYS A 63 8.479 -8.191 -4.138 1.00 0.00 O ATOM 1005 CB LYS A 63 7.607 -9.281 -6.507 1.00 0.00 C ATOM 1006 CG LYS A 63 6.976 -10.125 -7.603 1.00 0.00 C ATOM 1007 CD LYS A 63 7.915 -10.324 -8.779 1.00 0.00 C ATOM 1008 CE LYS A 63 7.269 -11.177 -9.861 1.00 0.00 C ATOM 1009 NZ LYS A 63 8.124 -11.288 -11.069 1.00 0.00 N ATOM 0 H LYS A 63 7.529 -11.075 -4.346 1.00 0.00 H new ATOM 0 HA LYS A 63 9.530 -10.255 -6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.825 -8.955 -5.822 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.031 -8.383 -6.957 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.694 -11.096 -7.196 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.060 -9.646 -7.948 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.193 -9.355 -9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.834 -10.800 -8.437 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.069 -12.173 -9.466 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.307 -10.745 -10.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.646 -11.877 -11.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.294 -10.340 -11.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.033 -11.724 -10.812 1.00 0.00 H new ATOM 1023 N PRO A 64 10.473 -9.230 -4.172 1.00 0.00 N ATOM 1024 CA PRO A 64 11.058 -8.422 -3.092 1.00 0.00 C ATOM 1025 C PRO A 64 11.048 -6.920 -3.389 1.00 0.00 C ATOM 1026 O PRO A 64 10.611 -6.121 -2.558 1.00 0.00 O ATOM 1027 CB PRO A 64 12.498 -8.940 -2.979 1.00 0.00 C ATOM 1028 CG PRO A 64 12.749 -9.694 -4.238 1.00 0.00 C ATOM 1029 CD PRO A 64 11.419 -10.236 -4.676 1.00 0.00 C ATOM 0 HA PRO A 64 10.483 -8.523 -2.171 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.204 -8.117 -2.867 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.617 -9.582 -2.106 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.175 -9.044 -5.002 1.00 0.00 H new ATOM 0 HG3 PRO A 64 13.463 -10.501 -4.072 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.361 -10.338 -5.760 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.225 -11.221 -4.252 1.00 0.00 H new ATOM 1037 N GLU A 65 11.522 -6.534 -4.572 1.00 0.00 N ATOM 1038 CA GLU A 65 11.550 -5.121 -4.949 1.00 0.00 C ATOM 1039 C GLU A 65 10.130 -4.573 -5.033 1.00 0.00 C ATOM 1040 O GLU A 65 9.851 -3.451 -4.604 1.00 0.00 O ATOM 1041 CB GLU A 65 12.259 -4.922 -6.291 1.00 0.00 C ATOM 1042 CG GLU A 65 12.401 -3.457 -6.679 1.00 0.00 C ATOM 1043 CD GLU A 65 12.875 -3.259 -8.102 1.00 0.00 C ATOM 1044 OE1 GLU A 65 12.023 -3.204 -9.011 1.00 0.00 O ATOM 1045 OE2 GLU A 65 14.100 -3.132 -8.315 1.00 0.00 O ATOM 0 H GLU A 65 11.888 -7.171 -5.279 1.00 0.00 H new ATOM 0 HA GLU A 65 12.104 -4.579 -4.183 1.00 0.00 H new ATOM 0 HB2 GLU A 65 13.248 -5.377 -6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.704 -5.446 -7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.440 -2.959 -6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 65 13.103 -2.974 -5.999 1.00 0.00 H new ATOM 1052 N THR A 66 9.229 -5.390 -5.558 1.00 0.00 N ATOM 1053 CA THR A 66 7.851 -4.982 -5.750 1.00 0.00 C ATOM 1054 C THR A 66 7.129 -4.869 -4.409 1.00 0.00 C ATOM 1055 O THR A 66 6.256 -4.024 -4.238 1.00 0.00 O ATOM 1056 CB THR A 66 7.111 -5.965 -6.672 1.00 0.00 C ATOM 1057 OG1 THR A 66 7.917 -6.229 -7.831 1.00 0.00 O ATOM 1058 CG2 THR A 66 5.763 -5.403 -7.104 1.00 0.00 C ATOM 0 H THR A 66 9.432 -6.343 -5.859 1.00 0.00 H new ATOM 0 HA THR A 66 7.855 -4.001 -6.226 1.00 0.00 H new ATOM 0 HB THR A 66 6.935 -6.889 -6.122 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.485 -6.916 -8.380 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.262 -6.119 -7.755 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.146 -5.219 -6.224 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.915 -4.467 -7.642 1.00 0.00 H new ATOM 1066 N ALA A 67 7.509 -5.718 -3.461 1.00 0.00 N ATOM 1067 CA ALA A 67 6.963 -5.654 -2.109 1.00 0.00 C ATOM 1068 C ALA A 67 7.269 -4.303 -1.478 1.00 0.00 C ATOM 1069 O ALA A 67 6.408 -3.689 -0.844 1.00 0.00 O ATOM 1070 CB ALA A 67 7.527 -6.780 -1.250 1.00 0.00 C ATOM 0 H ALA A 67 8.194 -6.460 -3.603 1.00 0.00 H new ATOM 0 HA ALA A 67 5.881 -5.774 -2.168 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.109 -6.716 -0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.264 -7.741 -1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.612 -6.689 -1.197 1.00 0.00 H new ATOM 1076 N SER A 68 8.498 -3.847 -1.675 1.00 0.00 N ATOM 1077 CA SER A 68 8.928 -2.554 -1.170 1.00 0.00 C ATOM 1078 C SER A 68 8.129 -1.435 -1.840 1.00 0.00 C ATOM 1079 O SER A 68 7.599 -0.546 -1.169 1.00 0.00 O ATOM 1080 CB SER A 68 10.432 -2.369 -1.418 1.00 0.00 C ATOM 1081 OG SER A 68 10.907 -1.149 -0.871 1.00 0.00 O ATOM 0 H SER A 68 9.218 -4.359 -2.185 1.00 0.00 H new ATOM 0 HA SER A 68 8.745 -2.511 -0.096 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.979 -3.203 -0.978 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.629 -2.389 -2.490 1.00 0.00 H new ATOM 0 HG SER A 68 11.868 -1.064 -1.046 1.00 0.00 H new ATOM 1087 N ARG A 69 8.015 -1.506 -3.163 1.00 0.00 N ATOM 1088 CA ARG A 69 7.285 -0.508 -3.925 1.00 0.00 C ATOM 1089 C ARG A 69 5.806 -0.507 -3.565 1.00 0.00 C ATOM 1090 O ARG A 69 5.209 0.550 -3.369 1.00 0.00 O ATOM 1091 CB ARG A 69 7.453 -0.752 -5.420 1.00 0.00 C ATOM 1092 CG ARG A 69 8.808 -0.336 -5.956 1.00 0.00 C ATOM 1093 CD ARG A 69 8.803 -0.261 -7.472 1.00 0.00 C ATOM 1094 NE ARG A 69 10.024 0.352 -7.988 1.00 0.00 N ATOM 1095 CZ ARG A 69 10.225 1.671 -8.044 1.00 0.00 C ATOM 1096 NH1 ARG A 69 9.267 2.513 -7.667 1.00 0.00 N ATOM 1097 NH2 ARG A 69 11.375 2.149 -8.494 1.00 0.00 N ATOM 0 H ARG A 69 8.423 -2.250 -3.729 1.00 0.00 H new ATOM 0 HA ARG A 69 7.699 0.468 -3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.300 -1.811 -5.626 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.677 -0.208 -5.958 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.082 0.635 -5.543 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.565 -1.048 -5.628 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.697 -1.264 -7.885 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.939 0.314 -7.805 1.00 0.00 H new ATOM 0 HE ARG A 69 10.765 -0.262 -8.325 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.373 2.152 -7.333 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.426 3.520 -7.712 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.109 1.509 -8.799 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.527 3.157 -8.536 1.00 0.00 H new ATOM 1111 N LEU A 70 5.224 -1.697 -3.472 1.00 0.00 N ATOM 1112 CA LEU A 70 3.814 -1.843 -3.141 1.00 0.00 C ATOM 1113 C LEU A 70 3.517 -1.224 -1.782 1.00 0.00 C ATOM 1114 O LEU A 70 2.504 -0.547 -1.606 1.00 0.00 O ATOM 1115 CB LEU A 70 3.409 -3.320 -3.148 1.00 0.00 C ATOM 1116 CG LEU A 70 1.945 -3.603 -2.800 1.00 0.00 C ATOM 1117 CD1 LEU A 70 1.014 -2.941 -3.804 1.00 0.00 C ATOM 1118 CD2 LEU A 70 1.689 -5.099 -2.752 1.00 0.00 C ATOM 0 H LEU A 70 5.712 -2.580 -3.623 1.00 0.00 H new ATOM 0 HA LEU A 70 3.231 -1.319 -3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.615 -3.731 -4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.043 -3.856 -2.441 1.00 0.00 H new ATOM 0 HG LEU A 70 1.743 -3.183 -1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.021 -3.155 -3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.175 -1.863 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.219 -3.329 -4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.644 -5.281 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.913 -5.538 -3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.327 -5.553 -1.994 1.00 0.00 H new ATOM 1130 N ARG A 71 4.406 -1.449 -0.824 1.00 0.00 N ATOM 1131 CA ARG A 71 4.224 -0.895 0.506 1.00 0.00 C ATOM 1132 C ARG A 71 4.358 0.626 0.472 1.00 0.00 C ATOM 1133 O ARG A 71 3.600 1.334 1.127 1.00 0.00 O ATOM 1134 CB ARG A 71 5.222 -1.495 1.496 1.00 0.00 C ATOM 1135 CG ARG A 71 4.744 -1.430 2.939 1.00 0.00 C ATOM 1136 CD ARG A 71 3.852 -2.619 3.295 1.00 0.00 C ATOM 1137 NE ARG A 71 2.786 -2.856 2.314 1.00 0.00 N ATOM 1138 CZ ARG A 71 1.979 -3.923 2.328 1.00 0.00 C ATOM 1139 NH1 ARG A 71 2.062 -4.815 3.311 1.00 0.00 N ATOM 1140 NH2 ARG A 71 1.083 -4.096 1.366 1.00 0.00 N ATOM 0 H ARG A 71 5.252 -2.006 -0.943 1.00 0.00 H new ATOM 0 HA ARG A 71 3.220 -1.152 0.843 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.410 -2.535 1.228 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.172 -0.967 1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.605 -1.409 3.607 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.194 -0.502 3.098 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.467 -3.515 3.377 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.405 -2.449 4.274 1.00 0.00 H new ATOM 0 HE ARG A 71 2.652 -2.165 1.576 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.743 -4.687 4.059 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.444 -5.627 3.317 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.007 -3.414 0.611 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.470 -4.911 1.381 1.00 0.00 H new ATOM 1154 N GLY A 72 5.318 1.113 -0.311 1.00 0.00 N ATOM 1155 CA GLY A 72 5.515 2.545 -0.451 1.00 0.00 C ATOM 1156 C GLY A 72 4.320 3.231 -1.086 1.00 0.00 C ATOM 1157 O GLY A 72 3.933 4.328 -0.679 1.00 0.00 O ATOM 0 H GLY A 72 5.964 0.539 -0.852 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.703 2.981 0.530 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.402 2.730 -1.057 1.00 0.00 H new ATOM 1161 N ARG A 73 3.730 2.575 -2.080 1.00 0.00 N ATOM 1162 CA ARG A 73 2.533 3.086 -2.730 1.00 0.00 C ATOM 1163 C ARG A 73 1.378 3.135 -1.740 1.00 0.00 C ATOM 1164 O ARG A 73 0.605 4.089 -1.717 1.00 0.00 O ATOM 1165 CB ARG A 73 2.162 2.216 -3.934 1.00 0.00 C ATOM 1166 CG ARG A 73 3.208 2.234 -5.035 1.00 0.00 C ATOM 1167 CD ARG A 73 2.821 1.343 -6.203 1.00 0.00 C ATOM 1168 NE ARG A 73 3.839 1.360 -7.254 1.00 0.00 N ATOM 1169 CZ ARG A 73 3.681 0.830 -8.468 1.00 0.00 C ATOM 1170 NH1 ARG A 73 2.551 0.213 -8.791 1.00 0.00 N ATOM 1171 NH2 ARG A 73 4.663 0.917 -9.359 1.00 0.00 N ATOM 0 H ARG A 73 4.064 1.686 -2.452 1.00 0.00 H new ATOM 0 HA ARG A 73 2.736 4.097 -3.084 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.015 1.189 -3.599 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.211 2.558 -4.341 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.345 3.256 -5.388 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.166 1.906 -4.631 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.678 0.322 -5.850 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.867 1.675 -6.614 1.00 0.00 H new ATOM 0 HE ARG A 73 4.731 1.808 -7.044 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.796 0.142 -8.109 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.438 -0.190 -9.721 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.534 1.388 -9.114 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.546 0.513 -10.288 1.00 0.00 H new ATOM 1185 N ILE A 74 1.281 2.105 -0.910 1.00 0.00 N ATOM 1186 CA ILE A 74 0.257 2.047 0.125 1.00 0.00 C ATOM 1187 C ILE A 74 0.499 3.106 1.197 1.00 0.00 C ATOM 1188 O ILE A 74 -0.449 3.695 1.713 1.00 0.00 O ATOM 1189 CB ILE A 74 0.180 0.641 0.762 1.00 0.00 C ATOM 1190 CG1 ILE A 74 -0.389 -0.347 -0.260 1.00 0.00 C ATOM 1191 CG2 ILE A 74 -0.660 0.648 2.035 1.00 0.00 C ATOM 1192 CD1 ILE A 74 -0.593 -1.743 0.278 1.00 0.00 C ATOM 0 H ILE A 74 1.901 1.296 -0.934 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.701 2.255 -0.352 1.00 0.00 H new ATOM 0 HB ILE A 74 1.186 0.331 1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.343 0.033 -0.624 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.283 -0.394 -1.117 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.692 -0.357 2.455 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.216 1.331 2.760 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.673 0.976 1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.998 -2.380 -0.508 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.362 -2.146 0.615 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.290 -1.712 1.115 1.00 0.00 H new ATOM 1204 N GLU A 75 1.765 3.343 1.534 1.00 0.00 N ATOM 1205 CA GLU A 75 2.115 4.398 2.480 1.00 0.00 C ATOM 1206 C GLU A 75 1.517 5.724 2.025 1.00 0.00 C ATOM 1207 O GLU A 75 0.941 6.464 2.822 1.00 0.00 O ATOM 1208 CB GLU A 75 3.630 4.551 2.601 1.00 0.00 C ATOM 1209 CG GLU A 75 4.046 5.492 3.722 1.00 0.00 C ATOM 1210 CD GLU A 75 5.322 6.257 3.423 1.00 0.00 C ATOM 1211 OE1 GLU A 75 6.383 5.623 3.263 1.00 0.00 O ATOM 1212 OE2 GLU A 75 5.266 7.505 3.370 1.00 0.00 O ATOM 0 H GLU A 75 2.561 2.821 1.168 1.00 0.00 H new ATOM 0 HA GLU A 75 1.711 4.120 3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.076 3.571 2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.029 4.922 1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.240 6.202 3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.182 4.917 4.638 1.00 0.00 H new ATOM 1219 N SER A 76 1.650 6.001 0.733 1.00 0.00 N ATOM 1220 CA SER A 76 1.108 7.214 0.142 1.00 0.00 C ATOM 1221 C SER A 76 -0.413 7.245 0.301 1.00 0.00 C ATOM 1222 O SER A 76 -0.986 8.269 0.677 1.00 0.00 O ATOM 1223 CB SER A 76 1.491 7.290 -1.337 1.00 0.00 C ATOM 1224 OG SER A 76 1.304 8.598 -1.854 1.00 0.00 O ATOM 0 H SER A 76 2.134 5.394 0.071 1.00 0.00 H new ATOM 0 HA SER A 76 1.528 8.078 0.658 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.533 6.994 -1.460 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.889 6.582 -1.907 1.00 0.00 H new ATOM 0 HG SER A 76 0.526 8.606 -2.450 1.00 0.00 H new ATOM 1230 N VAL A 77 -1.055 6.112 0.032 1.00 0.00 N ATOM 1231 CA VAL A 77 -2.501 5.991 0.178 1.00 0.00 C ATOM 1232 C VAL A 77 -2.922 6.224 1.629 1.00 0.00 C ATOM 1233 O VAL A 77 -3.853 6.982 1.903 1.00 0.00 O ATOM 1234 CB VAL A 77 -2.998 4.604 -0.291 1.00 0.00 C ATOM 1235 CG1 VAL A 77 -4.504 4.473 -0.107 1.00 0.00 C ATOM 1236 CG2 VAL A 77 -2.616 4.359 -1.746 1.00 0.00 C ATOM 0 H VAL A 77 -0.594 5.261 -0.290 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.957 6.755 -0.452 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.513 3.848 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.828 3.488 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.754 4.595 0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.010 5.241 -0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.975 3.378 -2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.068 5.126 -2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.532 4.398 -1.849 1.00 0.00 H new ATOM 1246 N LEU A 78 -2.220 5.580 2.554 1.00 0.00 N ATOM 1247 CA LEU A 78 -2.503 5.726 3.974 1.00 0.00 C ATOM 1248 C LEU A 78 -2.277 7.165 4.424 1.00 0.00 C ATOM 1249 O LEU A 78 -3.037 7.694 5.230 1.00 0.00 O ATOM 1250 CB LEU A 78 -1.626 4.783 4.804 1.00 0.00 C ATOM 1251 CG LEU A 78 -1.847 3.289 4.555 1.00 0.00 C ATOM 1252 CD1 LEU A 78 -0.914 2.460 5.427 1.00 0.00 C ATOM 1253 CD2 LEU A 78 -3.297 2.913 4.816 1.00 0.00 C ATOM 0 H LEU A 78 -1.447 4.949 2.343 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.549 5.465 4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.580 5.016 4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.801 4.987 5.860 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.621 3.077 3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.085 1.400 5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.121 2.709 5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.109 2.677 6.477 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.435 1.847 4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.551 3.140 5.851 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.946 3.482 4.150 1.00 0.00 H new ATOM 1265 N ASP A 79 -1.233 7.790 3.895 1.00 0.00 N ATOM 1266 CA ASP A 79 -0.909 9.174 4.228 1.00 0.00 C ATOM 1267 C ASP A 79 -2.041 10.099 3.792 1.00 0.00 C ATOM 1268 O ASP A 79 -2.535 10.914 4.572 1.00 0.00 O ATOM 1269 CB ASP A 79 0.394 9.574 3.529 1.00 0.00 C ATOM 1270 CG ASP A 79 0.867 10.964 3.891 1.00 0.00 C ATOM 1271 OD1 ASP A 79 0.367 11.942 3.302 1.00 0.00 O ATOM 1272 OD2 ASP A 79 1.768 11.080 4.749 1.00 0.00 O ATOM 0 H ASP A 79 -0.592 7.359 3.229 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.783 9.264 5.307 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.172 8.855 3.787 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.251 9.516 2.450 1.00 0.00 H new ATOM 1277 N TRP A 80 -2.474 9.921 2.554 1.00 0.00 N ATOM 1278 CA TRP A 80 -3.559 10.707 1.985 1.00 0.00 C ATOM 1279 C TRP A 80 -4.859 10.466 2.754 1.00 0.00 C ATOM 1280 O TRP A 80 -5.581 11.408 3.093 1.00 0.00 O ATOM 1281 CB TRP A 80 -3.728 10.336 0.506 1.00 0.00 C ATOM 1282 CG TRP A 80 -4.897 10.984 -0.175 1.00 0.00 C ATOM 1283 CD1 TRP A 80 -4.939 12.228 -0.739 1.00 0.00 C ATOM 1284 CD2 TRP A 80 -6.189 10.404 -0.383 1.00 0.00 C ATOM 1285 NE1 TRP A 80 -6.183 12.457 -1.281 1.00 0.00 N ATOM 1286 CE2 TRP A 80 -6.967 11.351 -1.073 1.00 0.00 C ATOM 1287 CE3 TRP A 80 -6.761 9.173 -0.047 1.00 0.00 C ATOM 1288 CZ2 TRP A 80 -8.289 11.105 -1.434 1.00 0.00 C ATOM 1289 CZ3 TRP A 80 -8.072 8.930 -0.406 1.00 0.00 C ATOM 1290 CH2 TRP A 80 -8.822 9.893 -1.093 1.00 0.00 C ATOM 0 H TRP A 80 -2.084 9.228 1.915 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.317 11.767 2.064 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -2.818 10.608 -0.029 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.833 9.254 0.427 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.117 12.928 -0.757 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.474 13.310 -1.759 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.188 8.427 0.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.872 11.844 -1.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.526 7.983 -0.153 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.845 9.673 -1.360 1.00 0.00 H new ATOM 1301 N ALA A 81 -5.137 9.202 3.039 1.00 0.00 N ATOM 1302 CA ALA A 81 -6.358 8.812 3.734 1.00 0.00 C ATOM 1303 C ALA A 81 -6.424 9.411 5.137 1.00 0.00 C ATOM 1304 O ALA A 81 -7.493 9.819 5.594 1.00 0.00 O ATOM 1305 CB ALA A 81 -6.458 7.299 3.803 1.00 0.00 C ATOM 0 H ALA A 81 -4.527 8.421 2.797 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.203 9.203 3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.373 7.018 4.324 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.475 6.889 2.793 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.598 6.902 4.342 1.00 0.00 H new ATOM 1311 N THR A 82 -5.283 9.467 5.812 1.00 0.00 N ATOM 1312 CA THR A 82 -5.224 10.006 7.165 1.00 0.00 C ATOM 1313 C THR A 82 -5.473 11.513 7.152 1.00 0.00 C ATOM 1314 O THR A 82 -6.168 12.050 8.019 1.00 0.00 O ATOM 1315 CB THR A 82 -3.866 9.696 7.828 1.00 0.00 C ATOM 1316 OG1 THR A 82 -3.568 8.299 7.682 1.00 0.00 O ATOM 1317 CG2 THR A 82 -3.884 10.057 9.308 1.00 0.00 C ATOM 0 H THR A 82 -4.387 9.146 5.445 1.00 0.00 H new ATOM 0 HA THR A 82 -6.007 9.525 7.751 1.00 0.00 H new ATOM 0 HB THR A 82 -3.100 10.295 7.336 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.326 8.112 6.751 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.914 9.828 9.750 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.092 11.121 9.420 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.659 9.480 9.814 1.00 0.00 H new ATOM 1325 N VAL A 83 -4.923 12.188 6.149 1.00 0.00 N ATOM 1326 CA VAL A 83 -5.130 13.622 5.990 1.00 0.00 C ATOM 1327 C VAL A 83 -6.584 13.915 5.621 1.00 0.00 C ATOM 1328 O VAL A 83 -7.191 14.854 6.134 1.00 0.00 O ATOM 1329 CB VAL A 83 -4.186 14.206 4.917 1.00 0.00 C ATOM 1330 CG1 VAL A 83 -4.455 15.687 4.694 1.00 0.00 C ATOM 1331 CG2 VAL A 83 -2.735 13.987 5.316 1.00 0.00 C ATOM 0 H VAL A 83 -4.331 11.765 5.434 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.902 14.099 6.943 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.378 13.684 3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.775 16.070 3.933 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.484 15.824 4.363 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.299 16.230 5.626 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.080 14.404 4.551 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.541 14.481 6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.542 12.919 5.416 1.00 0.00 H new ATOM 1341 N ARG A 84 -7.141 13.107 4.727 1.00 0.00 N ATOM 1342 CA ARG A 84 -8.535 13.234 4.336 1.00 0.00 C ATOM 1343 C ARG A 84 -9.487 12.874 5.474 1.00 0.00 C ATOM 1344 O ARG A 84 -10.616 13.357 5.522 1.00 0.00 O ATOM 1345 CB ARG A 84 -8.795 12.345 3.127 1.00 0.00 C ATOM 1346 CG ARG A 84 -8.851 13.098 1.810 1.00 0.00 C ATOM 1347 CD ARG A 84 -7.707 14.092 1.642 1.00 0.00 C ATOM 1348 NE ARG A 84 -7.969 15.356 2.337 1.00 0.00 N ATOM 1349 CZ ARG A 84 -8.442 16.449 1.736 1.00 0.00 C ATOM 1350 NH1 ARG A 84 -8.698 16.433 0.433 1.00 0.00 N ATOM 1351 NH2 ARG A 84 -8.667 17.549 2.442 1.00 0.00 N ATOM 0 H ARG A 84 -6.642 12.352 4.257 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.725 14.277 4.082 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.012 11.589 3.069 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.737 11.817 3.273 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.827 12.383 0.988 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.800 13.630 1.742 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.786 13.652 2.025 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.550 14.288 0.581 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.779 15.402 3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.533 15.585 -0.109 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.060 17.269 -0.026 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.478 17.559 3.444 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.029 18.385 1.983 1.00 0.00 H new ATOM 1365 N GLY A 85 -9.031 12.038 6.391 1.00 0.00 N ATOM 1366 CA GLY A 85 -9.849 11.678 7.531 1.00 0.00 C ATOM 1367 C GLY A 85 -10.661 10.420 7.297 1.00 0.00 C ATOM 1368 O GLY A 85 -11.646 10.173 7.992 1.00 0.00 O ATOM 0 H GLY A 85 -8.109 11.601 6.368 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.209 11.535 8.401 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.523 12.502 7.763 1.00 0.00 H new ATOM 1372 N TYR A 86 -10.254 9.620 6.318 1.00 0.00 N ATOM 1373 CA TYR A 86 -10.918 8.345 6.066 1.00 0.00 C ATOM 1374 C TYR A 86 -10.364 7.291 7.012 1.00 0.00 C ATOM 1375 O TYR A 86 -10.959 6.231 7.215 1.00 0.00 O ATOM 1376 CB TYR A 86 -10.744 7.903 4.608 1.00 0.00 C ATOM 1377 CG TYR A 86 -11.394 8.834 3.607 1.00 0.00 C ATOM 1378 CD1 TYR A 86 -12.720 9.224 3.751 1.00 0.00 C ATOM 1379 CD2 TYR A 86 -10.681 9.326 2.524 1.00 0.00 C ATOM 1380 CE1 TYR A 86 -13.317 10.078 2.841 1.00 0.00 C ATOM 1381 CE2 TYR A 86 -11.269 10.181 1.610 1.00 0.00 C ATOM 1382 CZ TYR A 86 -12.586 10.553 1.770 1.00 0.00 C ATOM 1383 OH TYR A 86 -13.171 11.407 0.860 1.00 0.00 O ATOM 0 H TYR A 86 -9.476 9.828 5.692 1.00 0.00 H new ATOM 0 HA TYR A 86 -11.986 8.468 6.245 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.680 7.830 4.385 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -11.164 6.904 4.488 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -13.294 8.854 4.588 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.649 9.036 2.392 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.349 10.371 2.967 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -10.698 10.556 0.774 1.00 0.00 H new ATOM 0 HH TYR A 86 -12.518 11.647 0.170 1.00 0.00 H new ATOM 1393 N ARG A 87 -9.211 7.605 7.585 1.00 0.00 N ATOM 1394 CA ARG A 87 -8.575 6.764 8.581 1.00 0.00 C ATOM 1395 C ARG A 87 -7.820 7.649 9.559 1.00 0.00 C ATOM 1396 O ARG A 87 -7.404 8.751 9.202 1.00 0.00 O ATOM 1397 CB ARG A 87 -7.609 5.777 7.923 1.00 0.00 C ATOM 1398 CG ARG A 87 -6.392 6.443 7.304 1.00 0.00 C ATOM 1399 CD ARG A 87 -5.431 5.424 6.721 1.00 0.00 C ATOM 1400 NE ARG A 87 -5.072 4.386 7.685 1.00 0.00 N ATOM 1401 CZ ARG A 87 -4.089 4.502 8.577 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -3.388 5.629 8.656 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -3.815 3.493 9.398 1.00 0.00 N ATOM 0 H ARG A 87 -8.690 8.455 7.369 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.340 6.191 9.106 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.278 5.053 8.668 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.141 5.220 7.151 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.712 7.131 6.521 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.878 7.037 8.060 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.883 4.961 5.844 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.527 5.932 6.383 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.608 3.518 7.674 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.602 6.408 8.033 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.636 5.715 9.340 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.357 2.631 9.345 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.063 3.581 10.081 1.00 0.00 H new ATOM 1417 N GLU A 88 -7.651 7.180 10.780 1.00 0.00 N ATOM 1418 CA GLU A 88 -6.944 7.946 11.789 1.00 0.00 C ATOM 1419 C GLU A 88 -5.842 7.109 12.424 1.00 0.00 C ATOM 1420 O GLU A 88 -5.857 5.879 12.339 1.00 0.00 O ATOM 1421 CB GLU A 88 -7.920 8.452 12.852 1.00 0.00 C ATOM 1422 CG GLU A 88 -8.912 9.478 12.325 1.00 0.00 C ATOM 1423 CD GLU A 88 -9.861 9.979 13.393 1.00 0.00 C ATOM 1424 OE1 GLU A 88 -9.381 10.527 14.406 1.00 0.00 O ATOM 1425 OE2 GLU A 88 -11.091 9.839 13.219 1.00 0.00 O ATOM 0 H GLU A 88 -7.993 6.273 11.098 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.481 8.808 11.308 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.469 7.605 13.263 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.354 8.893 13.673 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.366 10.323 11.906 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.488 9.036 11.512 1.00 0.00 H new ATOM 1432 N GLY A 89 -4.892 7.783 13.052 1.00 0.00 N ATOM 1433 CA GLY A 89 -3.760 7.106 13.648 1.00 0.00 C ATOM 1434 C GLY A 89 -2.442 7.611 13.088 1.00 0.00 C ATOM 1435 O GLY A 89 -2.144 8.803 13.173 1.00 0.00 O ATOM 0 H GLY A 89 -4.885 8.797 13.160 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.776 7.253 14.728 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.843 6.034 13.471 1.00 0.00 H new ATOM 1439 N ASP A 90 -1.660 6.707 12.511 1.00 0.00 N ATOM 1440 CA ASP A 90 -0.383 7.068 11.902 1.00 0.00 C ATOM 1441 C ASP A 90 -0.188 6.261 10.619 1.00 0.00 C ATOM 1442 O ASP A 90 -1.147 5.696 10.095 1.00 0.00 O ATOM 1443 CB ASP A 90 0.769 6.823 12.889 1.00 0.00 C ATOM 1444 CG ASP A 90 2.024 7.601 12.525 1.00 0.00 C ATOM 1445 OD1 ASP A 90 2.149 8.767 12.950 1.00 0.00 O ATOM 1446 OD2 ASP A 90 2.886 7.054 11.806 1.00 0.00 O ATOM 0 H ASP A 90 -1.888 5.715 12.451 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.386 8.129 11.652 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.449 7.104 13.892 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.000 5.758 12.915 1.00 0.00 H new ATOM 1451 N ASN A 91 1.035 6.215 10.113 1.00 0.00 N ATOM 1452 CA ASN A 91 1.352 5.532 8.872 1.00 0.00 C ATOM 1453 C ASN A 91 2.102 4.229 9.146 1.00 0.00 C ATOM 1454 O ASN A 91 3.333 4.211 9.182 1.00 0.00 O ATOM 1455 CB ASN A 91 2.189 6.449 7.985 1.00 0.00 C ATOM 1456 CG ASN A 91 1.343 7.364 7.120 1.00 0.00 C ATOM 1457 OD1 ASN A 91 0.897 8.421 7.561 1.00 0.00 O ATOM 1458 ND2 ASN A 91 1.138 6.975 5.871 1.00 0.00 N ATOM 0 H ASN A 91 1.841 6.655 10.557 1.00 0.00 H new ATOM 0 HA ASN A 91 0.423 5.284 8.359 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.845 7.053 8.612 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.830 5.842 7.345 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.593 7.560 5.238 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.525 6.090 5.542 1.00 0.00 H new ATOM 1465 N PRO A 92 1.369 3.122 9.354 1.00 0.00 N ATOM 1466 CA PRO A 92 1.956 1.833 9.748 1.00 0.00 C ATOM 1467 C PRO A 92 2.851 1.225 8.668 1.00 0.00 C ATOM 1468 O PRO A 92 3.592 0.281 8.928 1.00 0.00 O ATOM 1469 CB PRO A 92 0.737 0.931 9.990 1.00 0.00 C ATOM 1470 CG PRO A 92 -0.431 1.855 10.080 1.00 0.00 C ATOM 1471 CD PRO A 92 -0.090 3.025 9.213 1.00 0.00 C ATOM 0 HA PRO A 92 2.603 1.948 10.618 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.610 0.216 9.177 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.852 0.353 10.907 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -1.343 1.367 9.738 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.604 2.168 11.110 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.386 2.860 8.177 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.590 3.935 9.546 1.00 0.00 H new ATOM 1479 N ALA A 93 2.772 1.766 7.458 1.00 0.00 N ATOM 1480 CA ALA A 93 3.569 1.272 6.339 1.00 0.00 C ATOM 1481 C ALA A 93 4.786 2.163 6.101 1.00 0.00 C ATOM 1482 O ALA A 93 5.513 1.991 5.125 1.00 0.00 O ATOM 1483 CB ALA A 93 2.718 1.183 5.077 1.00 0.00 C ATOM 0 H ALA A 93 2.162 2.550 7.225 1.00 0.00 H new ATOM 0 HA ALA A 93 3.924 0.273 6.590 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.327 0.813 4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.885 0.501 5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.332 2.172 4.828 1.00 0.00 H new ATOM 1489 N ARG A 94 4.998 3.113 7.002 1.00 0.00 N ATOM 1490 CA ARG A 94 6.119 4.033 6.892 1.00 0.00 C ATOM 1491 C ARG A 94 7.251 3.604 7.818 1.00 0.00 C ATOM 1492 O ARG A 94 8.399 3.482 7.386 1.00 0.00 O ATOM 1493 CB ARG A 94 5.661 5.456 7.220 1.00 0.00 C ATOM 1494 CG ARG A 94 6.782 6.480 7.233 1.00 0.00 C ATOM 1495 CD ARG A 94 6.232 7.893 7.325 1.00 0.00 C ATOM 1496 NE ARG A 94 5.473 8.259 6.132 1.00 0.00 N ATOM 1497 CZ ARG A 94 4.457 9.117 6.121 1.00 0.00 C ATOM 1498 NH1 ARG A 94 4.028 9.672 7.250 1.00 0.00 N ATOM 1499 NH2 ARG A 94 3.861 9.405 4.975 1.00 0.00 N ATOM 0 H ARG A 94 4.406 3.266 7.819 1.00 0.00 H new ATOM 0 HA ARG A 94 6.492 4.015 5.868 1.00 0.00 H new ATOM 0 HB2 ARG A 94 4.912 5.762 6.490 1.00 0.00 H new ATOM 0 HB3 ARG A 94 5.174 5.454 8.195 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.444 6.288 8.078 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.382 6.378 6.329 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.592 7.977 8.203 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.055 8.595 7.462 1.00 0.00 H new ATOM 0 HE ARG A 94 5.740 7.827 5.247 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.479 9.441 8.135 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.248 10.329 7.231 1.00 0.00 H new ATOM 0 HH21 ARG A 94 4.182 8.970 4.110 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.081 10.062 4.957 1.00 0.00 H new ATOM 1513 N TRP A 95 6.909 3.381 9.091 1.00 0.00 N ATOM 1514 CA TRP A 95 7.858 2.900 10.099 1.00 0.00 C ATOM 1515 C TRP A 95 8.915 3.939 10.464 1.00 0.00 C ATOM 1516 O TRP A 95 9.232 4.847 9.693 1.00 0.00 O ATOM 1517 CB TRP A 95 8.553 1.616 9.637 1.00 0.00 C ATOM 1518 CG TRP A 95 7.718 0.390 9.811 1.00 0.00 C ATOM 1519 CD1 TRP A 95 7.364 -0.185 10.992 1.00 0.00 C ATOM 1520 CD2 TRP A 95 7.149 -0.422 8.778 1.00 0.00 C ATOM 1521 NE1 TRP A 95 6.615 -1.311 10.764 1.00 0.00 N ATOM 1522 CE2 TRP A 95 6.463 -1.477 9.410 1.00 0.00 C ATOM 1523 CE3 TRP A 95 7.151 -0.359 7.382 1.00 0.00 C ATOM 1524 CZ2 TRP A 95 5.788 -2.461 8.692 1.00 0.00 C ATOM 1525 CZ3 TRP A 95 6.480 -1.335 6.670 1.00 0.00 C ATOM 1526 CH2 TRP A 95 5.806 -2.375 7.326 1.00 0.00 C ATOM 0 H TRP A 95 5.966 3.529 9.451 1.00 0.00 H new ATOM 0 HA TRP A 95 7.265 2.697 10.991 1.00 0.00 H new ATOM 0 HB2 TRP A 95 8.822 1.716 8.586 1.00 0.00 H new ATOM 0 HB3 TRP A 95 9.482 1.495 10.194 1.00 0.00 H new ATOM 0 HD1 TRP A 95 7.634 0.191 11.968 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.233 -1.925 11.483 1.00 0.00 H new ATOM 0 HE3 TRP A 95 7.668 0.438 6.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.269 -3.263 9.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.475 -1.296 5.591 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.291 -3.123 6.742 1.00 0.00 H new ATOM 1537 N ARG A 96 9.438 3.797 11.669 1.00 0.00 N ATOM 1538 CA ARG A 96 10.587 4.552 12.115 1.00 0.00 C ATOM 1539 C ARG A 96 11.806 3.636 12.123 1.00 0.00 C ATOM 1540 O ARG A 96 12.950 4.084 12.037 1.00 0.00 O ATOM 1541 CB ARG A 96 10.320 5.120 13.512 1.00 0.00 C ATOM 1542 CG ARG A 96 11.539 5.730 14.168 1.00 0.00 C ATOM 1543 CD ARG A 96 11.209 6.322 15.529 1.00 0.00 C ATOM 1544 NE ARG A 96 12.411 6.671 16.279 1.00 0.00 N ATOM 1545 CZ ARG A 96 12.632 7.865 16.824 1.00 0.00 C ATOM 1546 NH1 ARG A 96 11.769 8.856 16.629 1.00 0.00 N ATOM 1547 NH2 ARG A 96 13.734 8.074 17.534 1.00 0.00 N ATOM 0 H ARG A 96 9.072 3.150 12.367 1.00 0.00 H new ATOM 0 HA ARG A 96 10.775 5.386 11.440 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.539 5.878 13.443 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.936 4.324 14.150 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.311 4.969 14.280 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.949 6.507 13.523 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.593 7.211 15.398 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.619 5.607 16.102 1.00 0.00 H new ATOM 0 HE ARG A 96 13.128 5.954 16.393 1.00 0.00 H new ATOM 0 HH11 ARG A 96 10.936 8.702 16.061 1.00 0.00 H new ATOM 0 HH12 ARG A 96 11.940 9.771 17.047 1.00 0.00 H new ATOM 0 HH21 ARG A 96 14.409 7.320 17.661 1.00 0.00 H new ATOM 0 HH22 ARG A 96 13.905 8.988 17.952 1.00 0.00 H new ATOM 1561 N GLY A 97 11.535 2.342 12.222 1.00 0.00 N ATOM 1562 CA GLY A 97 12.586 1.349 12.199 1.00 0.00 C ATOM 1563 C GLY A 97 12.025 -0.055 12.161 1.00 0.00 C ATOM 1564 O GLY A 97 11.736 -0.643 13.204 1.00 0.00 O ATOM 0 H GLY A 97 10.594 1.961 12.319 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.221 1.511 11.328 1.00 0.00 H new ATOM 0 HA3 GLY A 97 13.217 1.466 13.080 1.00 0.00 H new ATOM 1568 N TYR A 98 11.840 -0.584 10.961 1.00 0.00 N ATOM 1569 CA TYR A 98 11.330 -1.939 10.801 1.00 0.00 C ATOM 1570 C TYR A 98 12.477 -2.927 10.609 1.00 0.00 C ATOM 1571 O TYR A 98 12.764 -3.737 11.491 1.00 0.00 O ATOM 1572 CB TYR A 98 10.361 -2.014 9.617 1.00 0.00 C ATOM 1573 CG TYR A 98 9.762 -3.388 9.401 1.00 0.00 C ATOM 1574 CD1 TYR A 98 9.285 -4.139 10.468 1.00 0.00 C ATOM 1575 CD2 TYR A 98 9.672 -3.933 8.127 1.00 0.00 C ATOM 1576 CE1 TYR A 98 8.740 -5.394 10.272 1.00 0.00 C ATOM 1577 CE2 TYR A 98 9.126 -5.187 7.924 1.00 0.00 C ATOM 1578 CZ TYR A 98 8.665 -5.914 8.999 1.00 0.00 C ATOM 1579 OH TYR A 98 8.123 -7.162 8.798 1.00 0.00 O ATOM 0 H TYR A 98 12.034 -0.098 10.086 1.00 0.00 H new ATOM 0 HA TYR A 98 10.790 -2.208 11.709 1.00 0.00 H new ATOM 0 HB2 TYR A 98 9.555 -1.297 9.774 1.00 0.00 H new ATOM 0 HB3 TYR A 98 10.885 -1.710 8.711 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.341 -3.735 11.468 1.00 0.00 H new ATOM 0 HD2 TYR A 98 10.034 -3.368 7.281 1.00 0.00 H new ATOM 0 HE1 TYR A 98 8.375 -5.964 11.113 1.00 0.00 H new ATOM 0 HE2 TYR A 98 9.061 -5.595 6.926 1.00 0.00 H new ATOM 0 HH TYR A 98 8.145 -7.378 7.842 1.00 0.00 H new ATOM 1589 N LEU A 99 13.133 -2.854 9.458 1.00 0.00 N ATOM 1590 CA LEU A 99 14.234 -3.755 9.153 1.00 0.00 C ATOM 1591 C LEU A 99 15.559 -3.156 9.605 1.00 0.00 C ATOM 1592 O LEU A 99 16.352 -3.811 10.280 1.00 0.00 O ATOM 1593 CB LEU A 99 14.275 -4.054 7.650 1.00 0.00 C ATOM 1594 CG LEU A 99 13.056 -4.800 7.097 1.00 0.00 C ATOM 1595 CD1 LEU A 99 13.191 -4.997 5.595 1.00 0.00 C ATOM 1596 CD2 LEU A 99 12.887 -6.142 7.795 1.00 0.00 C ATOM 0 H LEU A 99 12.921 -2.181 8.722 1.00 0.00 H new ATOM 0 HA LEU A 99 14.074 -4.688 9.694 1.00 0.00 H new ATOM 0 HB2 LEU A 99 14.379 -3.112 7.112 1.00 0.00 H new ATOM 0 HB3 LEU A 99 15.168 -4.642 7.438 1.00 0.00 H new ATOM 0 HG LEU A 99 12.168 -4.198 7.290 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.317 -5.528 5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 99 13.264 -4.026 5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 99 14.088 -5.578 5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.016 -6.656 7.388 1.00 0.00 H new ATOM 0 HD22 LEU A 99 13.777 -6.751 7.633 1.00 0.00 H new ATOM 0 HD23 LEU A 99 12.747 -5.981 8.864 1.00 0.00 H new ATOM 1608 N GLU A 100 15.784 -1.902 9.240 1.00 0.00 N ATOM 1609 CA GLU A 100 17.012 -1.214 9.595 1.00 0.00 C ATOM 1610 C GLU A 100 16.724 0.243 9.912 1.00 0.00 C ATOM 1611 O GLU A 100 15.689 0.779 9.511 1.00 0.00 O ATOM 1612 CB GLU A 100 18.028 -1.296 8.448 1.00 0.00 C ATOM 1613 CG GLU A 100 17.539 -0.654 7.159 1.00 0.00 C ATOM 1614 CD GLU A 100 18.611 -0.584 6.093 1.00 0.00 C ATOM 1615 OE1 GLU A 100 18.759 -1.557 5.324 1.00 0.00 O ATOM 1616 OE2 GLU A 100 19.319 0.443 6.020 1.00 0.00 O ATOM 0 H GLU A 100 15.128 -1.341 8.696 1.00 0.00 H new ATOM 0 HA GLU A 100 17.432 -1.700 10.476 1.00 0.00 H new ATOM 0 HB2 GLU A 100 18.954 -0.811 8.758 1.00 0.00 H new ATOM 0 HB3 GLU A 100 18.265 -2.343 8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.690 -1.220 6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 100 17.181 0.353 7.374 1.00 0.00 H new ATOM 1623 N HIS A 101 17.625 0.866 10.647 1.00 0.00 N ATOM 1624 CA HIS A 101 17.570 2.300 10.867 1.00 0.00 C ATOM 1625 C HIS A 101 18.401 2.999 9.806 1.00 0.00 C ATOM 1626 O HIS A 101 19.629 2.903 9.806 1.00 0.00 O ATOM 1627 CB HIS A 101 18.086 2.672 12.261 1.00 0.00 C ATOM 1628 CG HIS A 101 17.164 2.286 13.376 1.00 0.00 C ATOM 1629 ND1 HIS A 101 17.552 1.495 14.435 1.00 0.00 N ATOM 1630 CD2 HIS A 101 15.868 2.606 13.603 1.00 0.00 C ATOM 1631 CE1 HIS A 101 16.534 1.344 15.263 1.00 0.00 C ATOM 1632 NE2 HIS A 101 15.502 2.008 14.782 1.00 0.00 N ATOM 0 H HIS A 101 18.408 0.399 11.104 1.00 0.00 H new ATOM 0 HA HIS A 101 16.530 2.621 10.800 1.00 0.00 H new ATOM 0 HB2 HIS A 101 19.052 2.192 12.419 1.00 0.00 H new ATOM 0 HB3 HIS A 101 18.255 3.748 12.299 1.00 0.00 H new ATOM 0 HD2 HIS A 101 15.240 3.218 12.973 1.00 0.00 H new ATOM 0 HE1 HIS A 101 16.545 0.773 16.180 1.00 0.00 H new ATOM 0 HE2 HIS A 101 14.581 2.068 15.216 1.00 0.00 H new ATOM 1641 N HIS A 102 17.729 3.673 8.888 1.00 0.00 N ATOM 1642 CA HIS A 102 18.417 4.367 7.809 1.00 0.00 C ATOM 1643 C HIS A 102 19.215 5.548 8.339 1.00 0.00 C ATOM 1644 O HIS A 102 20.369 5.741 7.949 1.00 0.00 O ATOM 1645 CB HIS A 102 17.431 4.835 6.741 1.00 0.00 C ATOM 1646 CG HIS A 102 17.086 3.777 5.743 1.00 0.00 C ATOM 1647 ND1 HIS A 102 17.694 3.682 4.511 1.00 0.00 N ATOM 1648 CD2 HIS A 102 16.197 2.760 5.801 1.00 0.00 C ATOM 1649 CE1 HIS A 102 17.191 2.654 3.853 1.00 0.00 C ATOM 1650 NE2 HIS A 102 16.280 2.075 4.615 1.00 0.00 N ATOM 0 H HIS A 102 16.713 3.755 8.867 1.00 0.00 H new ATOM 0 HA HIS A 102 19.110 3.659 7.353 1.00 0.00 H new ATOM 0 HB2 HIS A 102 16.517 5.177 7.227 1.00 0.00 H new ATOM 0 HB3 HIS A 102 17.854 5.693 6.218 1.00 0.00 H new ATOM 0 HD2 HIS A 102 15.542 2.529 6.628 1.00 0.00 H new ATOM 0 HE1 HIS A 102 17.476 2.339 2.860 1.00 0.00 H new ATOM 0 HE2 HIS A 102 15.729 1.254 4.363 1.00 0.00 H new ATOM 1659 N HIS A 103 18.593 6.319 9.237 1.00 0.00 N ATOM 1660 CA HIS A 103 19.211 7.510 9.829 1.00 0.00 C ATOM 1661 C HIS A 103 19.384 8.608 8.777 1.00 0.00 C ATOM 1662 O HIS A 103 19.886 8.366 7.681 1.00 0.00 O ATOM 1663 CB HIS A 103 20.555 7.162 10.488 1.00 0.00 C ATOM 1664 CG HIS A 103 21.233 8.329 11.139 1.00 0.00 C ATOM 1665 ND1 HIS A 103 22.396 8.886 10.657 1.00 0.00 N ATOM 1666 CD2 HIS A 103 20.905 9.044 12.242 1.00 0.00 C ATOM 1667 CE1 HIS A 103 22.756 9.891 11.434 1.00 0.00 C ATOM 1668 NE2 HIS A 103 21.868 10.009 12.400 1.00 0.00 N ATOM 0 H HIS A 103 17.648 6.135 9.574 1.00 0.00 H new ATOM 0 HA HIS A 103 18.546 7.887 10.606 1.00 0.00 H new ATOM 0 HB2 HIS A 103 20.392 6.386 11.236 1.00 0.00 H new ATOM 0 HB3 HIS A 103 21.220 6.742 9.734 1.00 0.00 H new ATOM 0 HD2 HIS A 103 20.047 8.885 12.878 1.00 0.00 H new ATOM 0 HE1 HIS A 103 23.630 10.511 11.300 1.00 0.00 H new ATOM 0 HE2 HIS A 103 21.892 10.705 13.145 1.00 0.00 H new ATOM 1677 N HIS A 104 18.962 9.817 9.107 1.00 0.00 N ATOM 1678 CA HIS A 104 19.022 10.906 8.147 1.00 0.00 C ATOM 1679 C HIS A 104 20.471 11.352 7.923 1.00 0.00 C ATOM 1680 O HIS A 104 21.171 11.746 8.860 1.00 0.00 O ATOM 1681 CB HIS A 104 18.129 12.088 8.575 1.00 0.00 C ATOM 1682 CG HIS A 104 18.677 12.944 9.679 1.00 0.00 C ATOM 1683 ND1 HIS A 104 19.214 14.193 9.458 1.00 0.00 N ATOM 1684 CD2 HIS A 104 18.759 12.737 11.013 1.00 0.00 C ATOM 1685 CE1 HIS A 104 19.601 14.714 10.604 1.00 0.00 C ATOM 1686 NE2 HIS A 104 19.336 13.852 11.567 1.00 0.00 N ATOM 0 H HIS A 104 18.579 10.067 10.019 1.00 0.00 H new ATOM 0 HA HIS A 104 18.633 10.537 7.198 1.00 0.00 H new ATOM 0 HB2 HIS A 104 17.949 12.719 7.705 1.00 0.00 H new ATOM 0 HB3 HIS A 104 17.162 11.695 8.889 1.00 0.00 H new ATOM 0 HD2 HIS A 104 18.431 11.856 11.545 1.00 0.00 H new ATOM 0 HE1 HIS A 104 20.058 15.684 10.734 1.00 0.00 H new ATOM 0 HE2 HIS A 104 19.528 13.991 12.559 1.00 0.00 H new ATOM 1695 N HIS A 105 20.917 11.239 6.678 1.00 0.00 N ATOM 1696 CA HIS A 105 22.245 11.687 6.271 1.00 0.00 C ATOM 1697 C HIS A 105 22.291 11.780 4.751 1.00 0.00 C ATOM 1698 O HIS A 105 22.482 12.859 4.193 1.00 0.00 O ATOM 1699 CB HIS A 105 23.331 10.733 6.787 1.00 0.00 C ATOM 1700 CG HIS A 105 24.733 11.228 6.555 1.00 0.00 C ATOM 1701 ND1 HIS A 105 25.526 11.742 7.559 1.00 0.00 N ATOM 1702 CD2 HIS A 105 25.481 11.287 5.427 1.00 0.00 C ATOM 1703 CE1 HIS A 105 26.693 12.099 7.058 1.00 0.00 C ATOM 1704 NE2 HIS A 105 26.691 11.832 5.768 1.00 0.00 N ATOM 0 H HIS A 105 20.368 10.834 5.920 1.00 0.00 H new ATOM 0 HA HIS A 105 22.440 12.668 6.704 1.00 0.00 H new ATOM 0 HB2 HIS A 105 23.184 10.573 7.855 1.00 0.00 H new ATOM 0 HB3 HIS A 105 23.212 9.765 6.301 1.00 0.00 H new ATOM 0 HD2 HIS A 105 25.179 10.964 4.441 1.00 0.00 H new ATOM 0 HE1 HIS A 105 27.511 12.536 7.611 1.00 0.00 H new ATOM 0 HE2 HIS A 105 27.465 12.003 5.127 1.00 0.00 H new ATOM 1713 N HIS A 106 22.118 10.640 4.089 1.00 0.00 N ATOM 1714 CA HIS A 106 21.934 10.611 2.644 1.00 0.00 C ATOM 1715 C HIS A 106 20.867 9.581 2.297 1.00 0.00 C ATOM 1716 O HIS A 106 21.003 8.415 2.725 1.00 0.00 O ATOM 1717 CB HIS A 106 23.252 10.348 1.874 1.00 0.00 C ATOM 1718 CG HIS A 106 23.858 8.979 2.039 1.00 0.00 C ATOM 1719 ND1 HIS A 106 24.981 8.746 2.801 1.00 0.00 N ATOM 1720 CD2 HIS A 106 23.516 7.781 1.506 1.00 0.00 C ATOM 1721 CE1 HIS A 106 25.299 7.466 2.732 1.00 0.00 C ATOM 1722 NE2 HIS A 106 24.426 6.858 1.953 1.00 0.00 N ATOM 1723 OXT HIS A 106 19.882 9.952 1.629 1.00 0.00 O ATOM 0 H HIS A 106 22.102 9.722 4.533 1.00 0.00 H new ATOM 0 HA HIS A 106 21.603 11.599 2.325 1.00 0.00 H new ATOM 0 HB2 HIS A 106 23.068 10.515 0.813 1.00 0.00 H new ATOM 0 HB3 HIS A 106 23.987 11.088 2.190 1.00 0.00 H new ATOM 0 HD2 HIS A 106 22.680 7.589 0.850 1.00 0.00 H new ATOM 0 HE1 HIS A 106 26.134 6.996 3.230 1.00 0.00 H new ATOM 0 HE2 HIS A 106 24.427 5.865 1.721 1.00 0.00 H new TER 1732 HIS A 106