USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 510 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 14 CYS SG : rot 180:sc= 0.343 USER MOD Set 1.2: A 60 TYR OH : rot 149:sc= 0.844 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= -0.445 (180deg=-0.445) USER MOD Single : A 5 LYS NZ :NH3+ 168:sc=-0.00311 (180deg=-0.11) USER MOD Single : A 9 MET CE :methyl -175:sc= -0.389 (180deg=-0.436) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0.0267 USER MOD Single : A 12 ASN : amide:sc=-0.00325 X(o=-0.0033,f=-0.29) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 MET CE :methyl -155:sc= -0.222 (180deg=-1.05) USER MOD Single : A 19 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00595) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -129:sc= 0.275 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -41:sc= 0.054 USER MOD Single : A 49 LYS NZ :NH3+ -120:sc= 1.27 (180deg=-0.0382) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 170:sc=-0.00567 (180deg=-0.103) USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 -8.505 -3.708 5.176 1.00 0.00 N ATOM 19 CA LEU A 2 -7.896 -4.508 4.110 1.00 0.00 C ATOM 20 C LEU A 2 -6.395 -4.648 4.319 1.00 0.00 C ATOM 21 O LEU A 2 -5.755 -3.699 4.783 1.00 0.00 O ATOM 22 CB LEU A 2 -8.191 -3.897 2.726 1.00 0.00 C ATOM 23 CG LEU A 2 -9.226 -4.727 1.946 1.00 0.00 C ATOM 24 CD1 LEU A 2 -9.693 -3.941 0.723 1.00 0.00 C ATOM 25 CD2 LEU A 2 -8.654 -6.079 1.487 1.00 0.00 C ATOM 0 HA LEU A 2 -8.340 -5.503 4.149 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.559 -2.879 2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.267 -3.835 2.151 1.00 0.00 H new ATOM 0 HG LEU A 2 -10.062 -4.925 2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.426 -4.529 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.147 -3.004 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.839 -3.728 0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.419 -6.631 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.795 -5.909 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.342 -6.656 2.357 1.00 0.00 H new ATOM 37 N LYS A 3 -5.825 -5.785 3.906 1.00 0.00 N ATOM 38 CA LYS A 3 -4.406 -6.105 4.038 1.00 0.00 C ATOM 39 C LYS A 3 -3.804 -6.358 2.657 1.00 0.00 C ATOM 40 O LYS A 3 -4.399 -7.046 1.825 1.00 0.00 O ATOM 41 CB LYS A 3 -4.301 -7.325 4.966 1.00 0.00 C ATOM 42 CG LYS A 3 -2.883 -7.611 5.470 1.00 0.00 C ATOM 43 CD LYS A 3 -2.909 -8.833 6.401 1.00 0.00 C ATOM 44 CE LYS A 3 -1.509 -9.293 6.803 1.00 0.00 C ATOM 45 NZ LYS A 3 -0.808 -8.337 7.680 1.00 0.00 N ATOM 0 H LYS A 3 -6.359 -6.529 3.457 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.840 -5.281 4.472 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.955 -7.172 5.824 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.670 -8.203 4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.216 -7.796 4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.492 -6.743 6.002 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.479 -8.590 7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.429 -9.653 5.905 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.582 -10.254 7.311 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.915 -9.453 5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.134 -8.709 7.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.708 -7.425 7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.355 -8.202 8.554 1.00 0.00 H new ATOM 59 N LEU A 4 -2.613 -5.817 2.426 1.00 0.00 N ATOM 60 CA LEU A 4 -1.842 -5.901 1.192 1.00 0.00 C ATOM 61 C LEU A 4 -0.407 -6.244 1.524 1.00 0.00 C ATOM 62 O LEU A 4 0.076 -5.938 2.620 1.00 0.00 O ATOM 63 CB LEU A 4 -1.838 -4.520 0.508 1.00 0.00 C ATOM 64 CG LEU A 4 -2.928 -4.411 -0.564 1.00 0.00 C ATOM 65 CD1 LEU A 4 -3.249 -2.963 -0.915 1.00 0.00 C ATOM 66 CD2 LEU A 4 -2.481 -5.102 -1.840 1.00 0.00 C ATOM 0 H LEU A 4 -2.130 -5.274 3.141 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.282 -6.658 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.987 -3.743 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.863 -4.342 0.054 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.817 -4.885 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.027 -2.937 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.598 -2.441 -0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.352 -2.473 -1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.264 -5.017 -2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.570 -4.631 -2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.287 -6.155 -1.635 1.00 0.00 H new ATOM 78 N LYS A 5 0.278 -6.807 0.535 1.00 0.00 N ATOM 79 CA LYS A 5 1.665 -7.208 0.593 1.00 0.00 C ATOM 80 C LYS A 5 2.408 -6.376 -0.428 1.00 0.00 C ATOM 81 O LYS A 5 2.005 -6.360 -1.592 1.00 0.00 O ATOM 82 CB LYS A 5 1.766 -8.700 0.240 1.00 0.00 C ATOM 83 CG LYS A 5 3.124 -9.311 0.586 1.00 0.00 C ATOM 84 CD LYS A 5 4.162 -9.225 -0.546 1.00 0.00 C ATOM 85 CE LYS A 5 5.554 -9.560 -0.003 1.00 0.00 C ATOM 86 NZ LYS A 5 5.600 -10.896 0.624 1.00 0.00 N ATOM 0 H LYS A 5 -0.147 -7.003 -0.371 1.00 0.00 H new ATOM 0 HA LYS A 5 2.088 -7.057 1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.984 -9.245 0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.578 -8.828 -0.826 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.522 -8.808 1.467 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.981 -10.358 0.854 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.898 -9.916 -1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.161 -8.224 -0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.279 -9.516 -0.815 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.848 -8.807 0.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.590 -11.166 0.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.088 -10.873 1.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.155 -11.592 -0.008 1.00 0.00 H new ATOM 100 N VAL A 6 3.418 -5.634 0.000 1.00 0.00 N ATOM 101 CA VAL A 6 4.251 -4.827 -0.881 1.00 0.00 C ATOM 102 C VAL A 6 5.576 -5.574 -0.999 1.00 0.00 C ATOM 103 O VAL A 6 6.059 -6.147 -0.016 1.00 0.00 O ATOM 104 CB VAL A 6 4.549 -3.418 -0.325 1.00 0.00 C ATOM 105 CG1 VAL A 6 5.091 -2.520 -1.451 1.00 0.00 C ATOM 106 CG2 VAL A 6 3.360 -2.705 0.315 1.00 0.00 C ATOM 0 H VAL A 6 3.686 -5.574 0.982 1.00 0.00 H new ATOM 0 HA VAL A 6 3.729 -4.687 -1.828 1.00 0.00 H new ATOM 0 HB VAL A 6 5.279 -3.580 0.468 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.300 -1.526 -1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.008 -2.952 -1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.349 -2.445 -2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.674 -1.725 0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.567 -2.585 -0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.989 -3.296 1.152 1.00 0.00 H new ATOM 116 N GLU A 7 6.174 -5.558 -2.179 1.00 0.00 N ATOM 117 CA GLU A 7 7.455 -6.183 -2.457 1.00 0.00 C ATOM 118 C GLU A 7 8.233 -5.169 -3.311 1.00 0.00 C ATOM 119 O GLU A 7 7.638 -4.349 -4.020 1.00 0.00 O ATOM 120 CB GLU A 7 7.228 -7.583 -3.064 1.00 0.00 C ATOM 121 CG GLU A 7 8.463 -8.497 -3.069 1.00 0.00 C ATOM 122 CD GLU A 7 9.550 -8.061 -4.051 1.00 0.00 C ATOM 123 OE1 GLU A 7 9.278 -8.023 -5.269 1.00 0.00 O ATOM 124 OE2 GLU A 7 10.667 -7.732 -3.585 1.00 0.00 O ATOM 0 H GLU A 7 5.769 -5.096 -2.993 1.00 0.00 H new ATOM 0 HA GLU A 7 8.063 -6.395 -1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.431 -8.078 -2.509 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.878 -7.465 -4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.885 -8.527 -2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.151 -9.512 -3.314 1.00 0.00 H new ATOM 131 N GLY A 8 9.555 -5.146 -3.155 1.00 0.00 N ATOM 132 CA GLY A 8 10.473 -4.270 -3.865 1.00 0.00 C ATOM 133 C GLY A 8 10.946 -3.086 -3.022 1.00 0.00 C ATOM 134 O GLY A 8 11.989 -2.503 -3.340 1.00 0.00 O ATOM 0 H GLY A 8 10.032 -5.766 -2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.339 -4.847 -4.188 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.985 -3.896 -4.765 1.00 0.00 H new ATOM 138 N MET A 9 10.241 -2.709 -1.945 1.00 0.00 N ATOM 139 CA MET A 9 10.675 -1.576 -1.130 1.00 0.00 C ATOM 140 C MET A 9 11.942 -1.914 -0.343 1.00 0.00 C ATOM 141 O MET A 9 11.937 -2.854 0.451 1.00 0.00 O ATOM 142 CB MET A 9 9.614 -1.144 -0.116 1.00 0.00 C ATOM 143 CG MET A 9 8.256 -0.829 -0.718 1.00 0.00 C ATOM 144 SD MET A 9 7.170 -0.023 0.477 1.00 0.00 S ATOM 145 CE MET A 9 7.039 -1.236 1.834 1.00 0.00 C ATOM 0 H MET A 9 9.386 -3.164 -1.627 1.00 0.00 H new ATOM 0 HA MET A 9 10.859 -0.765 -1.834 1.00 0.00 H new ATOM 0 HB2 MET A 9 9.494 -1.935 0.624 1.00 0.00 H new ATOM 0 HB3 MET A 9 9.975 -0.263 0.415 1.00 0.00 H new ATOM 0 HG2 MET A 9 8.384 -0.184 -1.587 1.00 0.00 H new ATOM 0 HG3 MET A 9 7.791 -1.750 -1.070 1.00 0.00 H new ATOM 0 HE1 MET A 9 6.325 -0.877 2.575 1.00 0.00 H new ATOM 0 HE2 MET A 9 6.699 -2.192 1.436 1.00 0.00 H new ATOM 0 HE3 MET A 9 8.015 -1.365 2.302 1.00 0.00 H new ATOM 155 N THR A 10 12.992 -1.105 -0.474 1.00 0.00 N ATOM 156 CA THR A 10 14.260 -1.280 0.240 1.00 0.00 C ATOM 157 C THR A 10 14.708 0.023 0.928 1.00 0.00 C ATOM 158 O THR A 10 15.799 0.073 1.502 1.00 0.00 O ATOM 159 CB THR A 10 15.337 -1.900 -0.672 1.00 0.00 C ATOM 160 OG1 THR A 10 15.279 -1.459 -2.015 1.00 0.00 O ATOM 161 CG2 THR A 10 15.228 -3.425 -0.706 1.00 0.00 C ATOM 0 H THR A 10 12.987 -0.293 -1.091 1.00 0.00 H new ATOM 0 HA THR A 10 14.101 -1.997 1.045 1.00 0.00 H new ATOM 0 HB THR A 10 16.278 -1.571 -0.231 1.00 0.00 H new ATOM 0 HG1 THR A 10 15.990 -1.891 -2.532 1.00 0.00 H new ATOM 0 HG21 THR A 10 16.002 -3.831 -1.358 1.00 0.00 H new ATOM 0 HG22 THR A 10 15.357 -3.822 0.301 1.00 0.00 H new ATOM 0 HG23 THR A 10 14.247 -3.711 -1.085 1.00 0.00 H new ATOM 169 N CYS A 11 13.878 1.071 0.910 1.00 0.00 N ATOM 170 CA CYS A 11 14.169 2.350 1.529 1.00 0.00 C ATOM 171 C CYS A 11 12.878 2.928 2.096 1.00 0.00 C ATOM 172 O CYS A 11 11.811 2.774 1.495 1.00 0.00 O ATOM 173 CB CYS A 11 14.762 3.286 0.468 1.00 0.00 C ATOM 174 SG CYS A 11 15.293 4.839 1.227 1.00 0.00 S ATOM 0 H CYS A 11 12.967 1.044 0.452 1.00 0.00 H new ATOM 0 HA CYS A 11 14.888 2.233 2.340 1.00 0.00 H new ATOM 0 HB2 CYS A 11 15.609 2.804 -0.020 1.00 0.00 H new ATOM 0 HB3 CYS A 11 14.020 3.486 -0.305 1.00 0.00 H new ATOM 0 HG CYS A 11 15.794 5.618 0.315 1.00 0.00 H new ATOM 180 N ASN A 12 12.974 3.653 3.214 1.00 0.00 N ATOM 181 CA ASN A 12 11.817 4.280 3.852 1.00 0.00 C ATOM 182 C ASN A 12 11.154 5.291 2.903 1.00 0.00 C ATOM 183 O ASN A 12 9.932 5.427 2.909 1.00 0.00 O ATOM 184 CB ASN A 12 12.221 4.927 5.181 1.00 0.00 C ATOM 185 CG ASN A 12 10.988 5.368 5.964 1.00 0.00 C ATOM 186 OD1 ASN A 12 10.373 6.387 5.663 1.00 0.00 O ATOM 187 ND2 ASN A 12 10.588 4.615 6.971 1.00 0.00 N ATOM 0 H ASN A 12 13.855 3.821 3.700 1.00 0.00 H new ATOM 0 HA ASN A 12 11.079 3.509 4.073 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.800 4.219 5.774 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.864 5.786 4.992 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.761 4.878 7.507 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.106 3.770 7.213 1.00 0.00 H new ATOM 194 N HIS A 13 11.931 5.961 2.036 1.00 0.00 N ATOM 195 CA HIS A 13 11.388 6.924 1.071 1.00 0.00 C ATOM 196 C HIS A 13 10.355 6.257 0.147 1.00 0.00 C ATOM 197 O HIS A 13 9.422 6.919 -0.311 1.00 0.00 O ATOM 198 CB HIS A 13 12.505 7.564 0.232 1.00 0.00 C ATOM 199 CG HIS A 13 13.187 8.728 0.905 1.00 0.00 C ATOM 200 ND1 HIS A 13 12.719 10.025 0.935 1.00 0.00 N ATOM 201 CD2 HIS A 13 14.391 8.706 1.556 1.00 0.00 C ATOM 202 CE1 HIS A 13 13.602 10.765 1.623 1.00 0.00 C ATOM 203 NE2 HIS A 13 14.637 10.004 2.033 1.00 0.00 N ATOM 0 H HIS A 13 12.944 5.850 1.986 1.00 0.00 H new ATOM 0 HA HIS A 13 10.892 7.709 1.641 1.00 0.00 H new ATOM 0 HB2 HIS A 13 13.251 6.804 -0.001 1.00 0.00 H new ATOM 0 HB3 HIS A 13 12.086 7.900 -0.716 1.00 0.00 H new ATOM 0 HD2 HIS A 13 15.034 7.847 1.680 1.00 0.00 H new ATOM 0 HE1 HIS A 13 13.498 11.822 1.821 1.00 0.00 H new ATOM 0 HE2 HIS A 13 15.440 10.311 2.582 1.00 0.00 H new ATOM 211 N CYS A 14 10.512 4.959 -0.130 1.00 0.00 N ATOM 212 CA CYS A 14 9.601 4.205 -0.976 1.00 0.00 C ATOM 213 C CYS A 14 8.262 4.036 -0.256 1.00 0.00 C ATOM 214 O CYS A 14 7.212 4.151 -0.881 1.00 0.00 O ATOM 215 CB CYS A 14 10.210 2.837 -1.309 1.00 0.00 C ATOM 216 SG CYS A 14 11.877 3.056 -2.008 1.00 0.00 S ATOM 0 H CYS A 14 11.285 4.402 0.234 1.00 0.00 H new ATOM 0 HA CYS A 14 9.436 4.745 -1.908 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.261 2.223 -0.410 1.00 0.00 H new ATOM 0 HB3 CYS A 14 9.574 2.309 -2.020 1.00 0.00 H new ATOM 0 HG CYS A 14 12.387 1.893 -2.286 1.00 0.00 H new ATOM 222 N VAL A 15 8.299 3.779 1.056 1.00 0.00 N ATOM 223 CA VAL A 15 7.120 3.592 1.887 1.00 0.00 C ATOM 224 C VAL A 15 6.271 4.857 1.821 1.00 0.00 C ATOM 225 O VAL A 15 5.135 4.816 1.350 1.00 0.00 O ATOM 226 CB VAL A 15 7.502 3.248 3.346 1.00 0.00 C ATOM 227 CG1 VAL A 15 6.278 2.857 4.186 1.00 0.00 C ATOM 228 CG2 VAL A 15 8.514 2.103 3.449 1.00 0.00 C ATOM 0 H VAL A 15 9.173 3.695 1.575 1.00 0.00 H new ATOM 0 HA VAL A 15 6.545 2.747 1.510 1.00 0.00 H new ATOM 0 HB VAL A 15 7.952 4.163 3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.594 2.624 5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.571 3.686 4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.799 1.983 3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.740 1.911 4.498 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.094 1.204 2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.429 2.378 2.925 1.00 0.00 H new ATOM 238 N MET A 16 6.824 6.000 2.233 1.00 0.00 N ATOM 239 CA MET A 16 6.088 7.263 2.230 1.00 0.00 C ATOM 240 C MET A 16 5.581 7.658 0.834 1.00 0.00 C ATOM 241 O MET A 16 4.491 8.222 0.720 1.00 0.00 O ATOM 242 CB MET A 16 6.911 8.388 2.877 1.00 0.00 C ATOM 243 CG MET A 16 8.273 8.588 2.201 1.00 0.00 C ATOM 244 SD MET A 16 8.985 10.247 2.220 1.00 0.00 S ATOM 245 CE MET A 16 7.646 11.163 1.408 1.00 0.00 C ATOM 0 H MET A 16 7.782 6.075 2.574 1.00 0.00 H new ATOM 0 HA MET A 16 5.198 7.106 2.839 1.00 0.00 H new ATOM 0 HB2 MET A 16 6.346 9.319 2.830 1.00 0.00 H new ATOM 0 HB3 MET A 16 7.063 8.161 3.932 1.00 0.00 H new ATOM 0 HG2 MET A 16 8.985 7.912 2.675 1.00 0.00 H new ATOM 0 HG3 MET A 16 8.180 8.275 1.161 1.00 0.00 H new ATOM 0 HE1 MET A 16 8.051 12.060 0.940 1.00 0.00 H new ATOM 0 HE2 MET A 16 7.184 10.534 0.648 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.898 11.446 2.148 1.00 0.00 H new ATOM 255 N ALA A 17 6.336 7.379 -0.236 1.00 0.00 N ATOM 256 CA ALA A 17 5.915 7.719 -1.589 1.00 0.00 C ATOM 257 C ALA A 17 4.668 6.924 -1.948 1.00 0.00 C ATOM 258 O ALA A 17 3.620 7.503 -2.237 1.00 0.00 O ATOM 259 CB ALA A 17 7.035 7.449 -2.599 1.00 0.00 C ATOM 0 H ALA A 17 7.244 6.917 -0.184 1.00 0.00 H new ATOM 0 HA ALA A 17 5.686 8.784 -1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.693 7.712 -3.600 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.908 8.050 -2.344 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.302 6.393 -2.572 1.00 0.00 H new ATOM 265 N VAL A 18 4.746 5.600 -1.836 1.00 0.00 N ATOM 266 CA VAL A 18 3.625 4.748 -2.172 1.00 0.00 C ATOM 267 C VAL A 18 2.456 4.978 -1.210 1.00 0.00 C ATOM 268 O VAL A 18 1.302 4.839 -1.605 1.00 0.00 O ATOM 269 CB VAL A 18 4.132 3.312 -2.345 1.00 0.00 C ATOM 270 CG1 VAL A 18 4.158 2.508 -1.063 1.00 0.00 C ATOM 271 CG2 VAL A 18 3.304 2.587 -3.390 1.00 0.00 C ATOM 0 H VAL A 18 5.576 5.101 -1.515 1.00 0.00 H new ATOM 0 HA VAL A 18 3.184 5.003 -3.136 1.00 0.00 H new ATOM 0 HB VAL A 18 5.168 3.399 -2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.529 1.504 -1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.814 2.995 -0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.150 2.445 -0.653 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.674 1.568 -3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.261 2.562 -3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.382 3.110 -4.343 1.00 0.00 H new ATOM 281 N THR A 19 2.717 5.408 0.026 1.00 0.00 N ATOM 282 CA THR A 19 1.669 5.709 0.996 1.00 0.00 C ATOM 283 C THR A 19 0.839 6.860 0.401 1.00 0.00 C ATOM 284 O THR A 19 -0.391 6.834 0.445 1.00 0.00 O ATOM 285 CB THR A 19 2.305 6.064 2.351 1.00 0.00 C ATOM 286 OG1 THR A 19 2.993 4.945 2.862 1.00 0.00 O ATOM 287 CG2 THR A 19 1.288 6.451 3.419 1.00 0.00 C ATOM 0 H THR A 19 3.662 5.557 0.380 1.00 0.00 H new ATOM 0 HA THR A 19 1.016 4.857 1.184 1.00 0.00 H new ATOM 0 HB THR A 19 2.958 6.914 2.150 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.877 4.885 2.443 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.808 6.688 4.347 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.724 7.322 3.086 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.604 5.619 3.588 1.00 0.00 H new ATOM 295 N LYS A 20 1.484 7.877 -0.191 1.00 0.00 N ATOM 296 CA LYS A 20 0.776 8.999 -0.807 1.00 0.00 C ATOM 297 C LYS A 20 -0.021 8.518 -2.017 1.00 0.00 C ATOM 298 O LYS A 20 -1.103 9.049 -2.265 1.00 0.00 O ATOM 299 CB LYS A 20 1.756 10.118 -1.197 1.00 0.00 C ATOM 300 CG LYS A 20 2.404 10.813 0.014 1.00 0.00 C ATOM 301 CD LYS A 20 3.657 11.613 -0.378 1.00 0.00 C ATOM 302 CE LYS A 20 3.295 12.787 -1.295 1.00 0.00 C ATOM 303 NZ LYS A 20 4.467 13.580 -1.720 1.00 0.00 N ATOM 0 H LYS A 20 2.500 7.941 -0.254 1.00 0.00 H new ATOM 0 HA LYS A 20 0.078 9.412 -0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.540 9.700 -1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.228 10.862 -1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.679 11.481 0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.671 10.065 0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.150 11.987 0.520 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.368 10.958 -0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.784 12.405 -2.179 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.592 13.440 -0.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.155 14.357 -2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.943 13.972 -0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.129 12.970 -2.240 1.00 0.00 H new ATOM 317 N ALA A 21 0.482 7.533 -2.762 1.00 0.00 N ATOM 318 CA ALA A 21 -0.212 6.983 -3.916 1.00 0.00 C ATOM 319 C ALA A 21 -1.461 6.238 -3.440 1.00 0.00 C ATOM 320 O ALA A 21 -2.540 6.397 -4.005 1.00 0.00 O ATOM 321 CB ALA A 21 0.714 6.047 -4.689 1.00 0.00 C ATOM 0 H ALA A 21 1.385 7.096 -2.578 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.511 7.790 -4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.184 5.641 -5.551 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.589 6.600 -5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.030 5.230 -4.040 1.00 0.00 H new ATOM 327 N LEU A 22 -1.341 5.467 -2.355 1.00 0.00 N ATOM 328 CA LEU A 22 -2.441 4.692 -1.783 1.00 0.00 C ATOM 329 C LEU A 22 -3.575 5.622 -1.363 1.00 0.00 C ATOM 330 O LEU A 22 -4.742 5.245 -1.411 1.00 0.00 O ATOM 331 CB LEU A 22 -1.935 3.838 -0.605 1.00 0.00 C ATOM 332 CG LEU A 22 -1.286 2.520 -1.071 1.00 0.00 C ATOM 333 CD1 LEU A 22 -0.318 1.978 -0.015 1.00 0.00 C ATOM 334 CD2 LEU A 22 -2.370 1.472 -1.341 1.00 0.00 C ATOM 0 H LEU A 22 -0.464 5.364 -1.844 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.834 4.011 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.210 4.413 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.768 3.614 0.062 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.729 2.725 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.125 1.048 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.470 2.709 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.859 1.791 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.904 0.543 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.936 1.290 -0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.042 1.836 -2.118 1.00 0.00 H new ATOM 346 N LYS A 23 -3.267 6.867 -0.991 1.00 0.00 N ATOM 347 CA LYS A 23 -4.285 7.833 -0.593 1.00 0.00 C ATOM 348 C LYS A 23 -5.085 8.374 -1.778 1.00 0.00 C ATOM 349 O LYS A 23 -6.061 9.087 -1.537 1.00 0.00 O ATOM 350 CB LYS A 23 -3.647 9.000 0.166 1.00 0.00 C ATOM 351 CG LYS A 23 -3.097 8.584 1.533 1.00 0.00 C ATOM 352 CD LYS A 23 -2.370 9.775 2.164 1.00 0.00 C ATOM 353 CE LYS A 23 -2.369 9.721 3.690 1.00 0.00 C ATOM 354 NZ LYS A 23 -3.689 10.074 4.260 1.00 0.00 N ATOM 0 H LYS A 23 -2.314 7.228 -0.958 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.980 7.300 0.056 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.840 9.420 -0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.387 9.789 0.301 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.909 8.253 2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.414 7.742 1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.341 9.800 1.804 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.845 10.700 1.837 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.089 8.719 4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.613 10.405 4.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.630 10.074 5.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.969 11.019 3.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.397 9.377 3.954 1.00 0.00 H new ATOM 368 N LYS A 24 -4.686 8.122 -3.029 1.00 0.00 N ATOM 369 CA LYS A 24 -5.433 8.600 -4.198 1.00 0.00 C ATOM 370 C LYS A 24 -6.610 7.679 -4.510 1.00 0.00 C ATOM 371 O LYS A 24 -7.514 8.051 -5.256 1.00 0.00 O ATOM 372 CB LYS A 24 -4.529 8.633 -5.446 1.00 0.00 C ATOM 373 CG LYS A 24 -3.216 9.426 -5.350 1.00 0.00 C ATOM 374 CD LYS A 24 -3.353 10.692 -4.513 1.00 0.00 C ATOM 375 CE LYS A 24 -2.298 11.730 -4.879 1.00 0.00 C ATOM 376 NZ LYS A 24 -2.654 13.041 -4.313 1.00 0.00 N ATOM 0 H LYS A 24 -3.848 7.588 -3.259 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.791 9.601 -3.958 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.282 7.605 -5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.110 9.043 -6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.444 8.791 -4.917 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.883 9.693 -6.353 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.346 11.117 -4.657 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.264 10.440 -3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.324 11.417 -4.504 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.213 11.805 -5.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.927 13.739 -4.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.574 13.344 -4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.713 12.968 -3.277 1.00 0.00 H new ATOM 390 N VAL A 25 -6.599 6.484 -3.937 1.00 0.00 N ATOM 391 CA VAL A 25 -7.594 5.461 -4.131 1.00 0.00 C ATOM 392 C VAL A 25 -8.979 5.909 -3.654 1.00 0.00 C ATOM 393 O VAL A 25 -9.131 6.320 -2.502 1.00 0.00 O ATOM 394 CB VAL A 25 -7.064 4.191 -3.460 1.00 0.00 C ATOM 395 CG1 VAL A 25 -8.062 3.057 -3.617 1.00 0.00 C ATOM 396 CG2 VAL A 25 -5.728 3.765 -4.097 1.00 0.00 C ATOM 0 H VAL A 25 -5.859 6.197 -3.297 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.753 5.254 -5.189 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.914 4.406 -2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.672 2.160 -3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.007 3.337 -3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.224 2.859 -4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.364 2.861 -3.609 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.877 3.569 -5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.996 4.563 -3.974 1.00 0.00 H new ATOM 406 N PRO A 26 -10.018 5.790 -4.499 1.00 0.00 N ATOM 407 CA PRO A 26 -11.362 6.197 -4.140 1.00 0.00 C ATOM 408 C PRO A 26 -11.948 5.304 -3.047 1.00 0.00 C ATOM 409 O PRO A 26 -12.294 4.143 -3.279 1.00 0.00 O ATOM 410 CB PRO A 26 -12.163 6.156 -5.438 1.00 0.00 C ATOM 411 CG PRO A 26 -11.448 5.112 -6.285 1.00 0.00 C ATOM 412 CD PRO A 26 -9.992 5.314 -5.879 1.00 0.00 C ATOM 0 HA PRO A 26 -11.383 7.198 -3.710 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -13.201 5.879 -5.257 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.174 7.129 -5.930 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.796 4.102 -6.067 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.601 5.278 -7.351 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.432 4.382 -5.959 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.502 6.037 -6.531 1.00 0.00 H new ATOM 420 N GLY A 27 -12.079 5.874 -1.853 1.00 0.00 N ATOM 421 CA GLY A 27 -12.627 5.233 -0.664 1.00 0.00 C ATOM 422 C GLY A 27 -11.623 5.130 0.479 1.00 0.00 C ATOM 423 O GLY A 27 -11.962 4.630 1.551 1.00 0.00 O ATOM 0 H GLY A 27 -11.793 6.838 -1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.498 5.794 -0.325 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.974 4.233 -0.925 1.00 0.00 H new ATOM 427 N VAL A 28 -10.362 5.505 0.276 1.00 0.00 N ATOM 428 CA VAL A 28 -9.384 5.424 1.346 1.00 0.00 C ATOM 429 C VAL A 28 -9.636 6.577 2.322 1.00 0.00 C ATOM 430 O VAL A 28 -10.167 7.628 1.969 1.00 0.00 O ATOM 431 CB VAL A 28 -7.977 5.414 0.732 1.00 0.00 C ATOM 432 CG1 VAL A 28 -7.611 6.776 0.154 1.00 0.00 C ATOM 433 CG2 VAL A 28 -6.913 4.939 1.729 1.00 0.00 C ATOM 0 H VAL A 28 -10.002 5.863 -0.609 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.474 4.502 1.920 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.998 4.694 -0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.609 6.733 -0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.325 7.045 -0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.637 7.526 0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.934 4.949 1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.901 5.604 2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.147 3.926 2.055 1.00 0.00 H new ATOM 443 N GLU A 29 -9.237 6.393 3.574 1.00 0.00 N ATOM 444 CA GLU A 29 -9.384 7.392 4.621 1.00 0.00 C ATOM 445 C GLU A 29 -8.023 7.490 5.287 1.00 0.00 C ATOM 446 O GLU A 29 -7.402 8.553 5.250 1.00 0.00 O ATOM 447 CB GLU A 29 -10.551 7.054 5.557 1.00 0.00 C ATOM 448 CG GLU A 29 -11.874 7.089 4.770 1.00 0.00 C ATOM 449 CD GLU A 29 -13.097 6.921 5.662 1.00 0.00 C ATOM 450 OE1 GLU A 29 -13.105 5.977 6.481 1.00 0.00 O ATOM 451 OE2 GLU A 29 -14.070 7.700 5.531 1.00 0.00 O ATOM 0 H GLU A 29 -8.795 5.531 3.894 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.660 8.374 4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.404 6.067 5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.588 7.767 6.381 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.948 8.036 4.235 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.866 6.298 4.020 1.00 0.00 H new ATOM 458 N LYS A 30 -7.511 6.370 5.801 1.00 0.00 N ATOM 459 CA LYS A 30 -6.210 6.300 6.445 1.00 0.00 C ATOM 460 C LYS A 30 -5.492 5.062 5.933 1.00 0.00 C ATOM 461 O LYS A 30 -6.122 4.034 5.664 1.00 0.00 O ATOM 462 CB LYS A 30 -6.381 6.339 7.967 1.00 0.00 C ATOM 463 CG LYS A 30 -5.039 6.406 8.716 1.00 0.00 C ATOM 464 CD LYS A 30 -4.600 5.060 9.293 1.00 0.00 C ATOM 465 CE LYS A 30 -3.404 5.287 10.224 1.00 0.00 C ATOM 466 NZ LYS A 30 -3.349 4.302 11.321 1.00 0.00 N ATOM 0 H LYS A 30 -8.001 5.476 5.778 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.589 7.161 6.197 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.987 7.204 8.238 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.928 5.453 8.289 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.269 6.770 8.036 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.119 7.132 9.525 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.422 4.598 9.840 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.328 4.376 8.489 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.482 5.234 9.645 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.460 6.291 10.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.250 4.799 12.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.224 3.740 11.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.534 3.671 11.181 1.00 0.00 H new ATOM 480 N VAL A 31 -4.178 5.186 5.806 1.00 0.00 N ATOM 481 CA VAL A 31 -3.245 4.180 5.332 1.00 0.00 C ATOM 482 C VAL A 31 -2.176 3.992 6.405 1.00 0.00 C ATOM 483 O VAL A 31 -1.910 4.913 7.187 1.00 0.00 O ATOM 484 CB VAL A 31 -2.636 4.652 3.988 1.00 0.00 C ATOM 485 CG1 VAL A 31 -3.678 4.606 2.866 1.00 0.00 C ATOM 486 CG2 VAL A 31 -2.100 6.094 4.028 1.00 0.00 C ATOM 0 H VAL A 31 -3.705 6.056 6.050 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.738 3.224 5.155 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.810 3.965 3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.224 4.942 1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.039 3.584 2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.514 5.258 3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.689 6.356 3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.912 6.777 4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.319 6.171 4.784 1.00 0.00 H new ATOM 496 N GLU A 32 -1.565 2.815 6.456 1.00 0.00 N ATOM 497 CA GLU A 32 -0.517 2.465 7.397 1.00 0.00 C ATOM 498 C GLU A 32 0.337 1.438 6.650 1.00 0.00 C ATOM 499 O GLU A 32 -0.175 0.374 6.291 1.00 0.00 O ATOM 500 CB GLU A 32 -1.141 1.905 8.694 1.00 0.00 C ATOM 501 CG GLU A 32 -0.265 2.132 9.933 1.00 0.00 C ATOM 502 CD GLU A 32 1.216 1.867 9.668 1.00 0.00 C ATOM 503 OE1 GLU A 32 1.619 0.689 9.544 1.00 0.00 O ATOM 504 OE2 GLU A 32 1.974 2.850 9.499 1.00 0.00 O ATOM 0 H GLU A 32 -1.796 2.053 5.819 1.00 0.00 H new ATOM 0 HA GLU A 32 0.091 3.313 7.714 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.113 2.373 8.853 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.318 0.836 8.573 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.390 3.159 10.277 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.607 1.482 10.738 1.00 0.00 H new ATOM 511 N VAL A 33 1.602 1.740 6.361 1.00 0.00 N ATOM 512 CA VAL A 33 2.486 0.837 5.629 1.00 0.00 C ATOM 513 C VAL A 33 3.818 0.703 6.370 1.00 0.00 C ATOM 514 O VAL A 33 4.199 1.606 7.122 1.00 0.00 O ATOM 515 CB VAL A 33 2.663 1.336 4.177 1.00 0.00 C ATOM 516 CG1 VAL A 33 3.110 0.158 3.312 1.00 0.00 C ATOM 517 CG2 VAL A 33 1.418 1.976 3.537 1.00 0.00 C ATOM 0 H VAL A 33 2.043 2.620 6.629 1.00 0.00 H new ATOM 0 HA VAL A 33 2.044 -0.158 5.575 1.00 0.00 H new ATOM 0 HB VAL A 33 3.405 2.133 4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.240 0.491 2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.055 -0.232 3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.354 -0.626 3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.653 2.290 2.520 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.606 1.249 3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.112 2.843 4.123 1.00 0.00 H new ATOM 527 N SER A 34 4.550 -0.394 6.144 1.00 0.00 N ATOM 528 CA SER A 34 5.815 -0.627 6.819 1.00 0.00 C ATOM 529 C SER A 34 6.844 -1.336 5.954 1.00 0.00 C ATOM 530 O SER A 34 6.522 -2.318 5.283 1.00 0.00 O ATOM 531 CB SER A 34 5.504 -1.497 8.032 1.00 0.00 C ATOM 532 OG SER A 34 6.501 -1.396 9.018 1.00 0.00 O ATOM 0 H SER A 34 4.279 -1.132 5.494 1.00 0.00 H new ATOM 0 HA SER A 34 6.252 0.337 7.081 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.544 -1.201 8.455 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.407 -2.536 7.718 1.00 0.00 H new ATOM 0 HG SER A 34 6.266 -1.966 9.780 1.00 0.00 H new ATOM 538 N LEU A 35 8.093 -0.869 6.035 1.00 0.00 N ATOM 539 CA LEU A 35 9.222 -1.425 5.307 1.00 0.00 C ATOM 540 C LEU A 35 9.602 -2.783 5.889 1.00 0.00 C ATOM 541 O LEU A 35 9.761 -3.739 5.137 1.00 0.00 O ATOM 542 CB LEU A 35 10.429 -0.475 5.411 1.00 0.00 C ATOM 543 CG LEU A 35 11.614 -0.832 4.498 1.00 0.00 C ATOM 544 CD1 LEU A 35 11.235 -0.842 3.015 1.00 0.00 C ATOM 545 CD2 LEU A 35 12.712 0.215 4.704 1.00 0.00 C ATOM 0 H LEU A 35 8.346 -0.076 6.624 1.00 0.00 H new ATOM 0 HA LEU A 35 8.940 -1.545 4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.098 0.536 5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.776 -0.463 6.444 1.00 0.00 H new ATOM 0 HG LEU A 35 11.946 -1.836 4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.109 -1.100 2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.449 -1.578 2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.876 0.145 2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.563 -0.020 4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.327 1.202 4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.029 0.209 5.747 1.00 0.00 H new ATOM 557 N GLU A 36 9.723 -2.876 7.219 1.00 0.00 N ATOM 558 CA GLU A 36 10.106 -4.110 7.910 1.00 0.00 C ATOM 559 C GLU A 36 9.134 -5.258 7.648 1.00 0.00 C ATOM 560 O GLU A 36 9.540 -6.416 7.571 1.00 0.00 O ATOM 561 CB GLU A 36 10.279 -3.846 9.416 1.00 0.00 C ATOM 562 CG GLU A 36 8.959 -3.753 10.197 1.00 0.00 C ATOM 563 CD GLU A 36 9.120 -3.052 11.544 1.00 0.00 C ATOM 564 OE1 GLU A 36 9.142 -1.802 11.554 1.00 0.00 O ATOM 565 OE2 GLU A 36 9.200 -3.745 12.587 1.00 0.00 O ATOM 0 H GLU A 36 9.556 -2.091 7.849 1.00 0.00 H new ATOM 0 HA GLU A 36 11.064 -4.429 7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.886 -4.643 9.845 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.833 -2.916 9.549 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.224 -3.216 9.598 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.566 -4.757 10.359 1.00 0.00 H new ATOM 572 N LYS A 37 7.845 -4.945 7.499 1.00 0.00 N ATOM 573 CA LYS A 37 6.835 -5.963 7.249 1.00 0.00 C ATOM 574 C LYS A 37 6.581 -6.181 5.766 1.00 0.00 C ATOM 575 O LYS A 37 6.241 -7.298 5.383 1.00 0.00 O ATOM 576 CB LYS A 37 5.505 -5.564 7.889 1.00 0.00 C ATOM 577 CG LYS A 37 5.600 -5.384 9.410 1.00 0.00 C ATOM 578 CD LYS A 37 4.257 -4.984 10.020 1.00 0.00 C ATOM 579 CE LYS A 37 3.192 -6.047 9.769 1.00 0.00 C ATOM 580 NZ LYS A 37 1.924 -5.736 10.445 1.00 0.00 N ATOM 0 H LYS A 37 7.481 -3.993 7.548 1.00 0.00 H new ATOM 0 HA LYS A 37 7.222 -6.885 7.684 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.157 -4.634 7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.758 -6.325 7.665 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.943 -6.313 9.865 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.345 -4.622 9.640 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.374 -4.831 11.093 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.932 -4.034 9.596 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.017 -6.137 8.697 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.558 -7.014 10.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.231 -6.486 10.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.083 -5.676 11.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.559 -4.826 10.097 1.00 0.00 H new ATOM 594 N GLY A 38 6.735 -5.147 4.934 1.00 0.00 N ATOM 595 CA GLY A 38 6.448 -5.252 3.514 1.00 0.00 C ATOM 596 C GLY A 38 4.936 -5.484 3.398 1.00 0.00 C ATOM 597 O GLY A 38 4.492 -6.331 2.621 1.00 0.00 O ATOM 0 H GLY A 38 7.059 -4.226 5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.744 -4.344 2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.004 -6.075 3.065 1.00 0.00 H new ATOM 601 N GLU A 39 4.141 -4.808 4.241 1.00 0.00 N ATOM 602 CA GLU A 39 2.688 -4.915 4.286 1.00 0.00 C ATOM 603 C GLU A 39 2.101 -3.516 4.397 1.00 0.00 C ATOM 604 O GLU A 39 2.710 -2.646 5.026 1.00 0.00 O ATOM 605 CB GLU A 39 2.210 -5.760 5.484 1.00 0.00 C ATOM 606 CG GLU A 39 2.719 -7.205 5.459 1.00 0.00 C ATOM 607 CD GLU A 39 2.016 -8.096 6.486 1.00 0.00 C ATOM 608 OE1 GLU A 39 2.008 -7.812 7.711 1.00 0.00 O ATOM 609 OE2 GLU A 39 1.357 -9.064 6.061 1.00 0.00 O ATOM 0 H GLU A 39 4.511 -4.153 4.929 1.00 0.00 H new ATOM 0 HA GLU A 39 2.353 -5.410 3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.539 -5.284 6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.120 -5.768 5.500 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.572 -7.621 4.462 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.792 -7.212 5.652 1.00 0.00 H new ATOM 616 N ALA A 40 0.921 -3.332 3.799 1.00 0.00 N ATOM 617 CA ALA A 40 0.144 -2.100 3.752 1.00 0.00 C ATOM 618 C ALA A 40 -1.272 -2.414 4.224 1.00 0.00 C ATOM 619 O ALA A 40 -1.899 -3.356 3.730 1.00 0.00 O ATOM 620 CB ALA A 40 0.148 -1.539 2.327 1.00 0.00 C ATOM 0 H ALA A 40 0.456 -4.093 3.303 1.00 0.00 H new ATOM 0 HA ALA A 40 0.578 -1.342 4.404 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.434 -0.618 2.297 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.173 -1.330 2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.292 -2.269 1.647 1.00 0.00 H new ATOM 626 N LEU A 41 -1.793 -1.651 5.182 1.00 0.00 N ATOM 627 CA LEU A 41 -3.121 -1.820 5.772 1.00 0.00 C ATOM 628 C LEU A 41 -3.929 -0.548 5.530 1.00 0.00 C ATOM 629 O LEU A 41 -3.360 0.545 5.477 1.00 0.00 O ATOM 630 CB LEU A 41 -2.986 -2.097 7.285 1.00 0.00 C ATOM 631 CG LEU A 41 -2.618 -3.540 7.716 1.00 0.00 C ATOM 632 CD1 LEU A 41 -3.812 -4.496 7.632 1.00 0.00 C ATOM 633 CD2 LEU A 41 -1.452 -4.157 6.933 1.00 0.00 C ATOM 0 H LEU A 41 -1.282 -0.866 5.586 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.633 -2.666 5.313 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.229 -1.423 7.685 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.930 -1.834 7.761 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.302 -3.423 8.753 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.502 -5.493 7.944 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.608 -4.142 8.287 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.176 -4.534 6.605 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.262 -5.166 7.299 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.706 -4.197 5.874 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.559 -3.547 7.070 1.00 0.00 H new ATOM 645 N VAL A 42 -5.256 -0.658 5.428 1.00 0.00 N ATOM 646 CA VAL A 42 -6.144 0.480 5.189 1.00 0.00 C ATOM 647 C VAL A 42 -7.240 0.499 6.240 1.00 0.00 C ATOM 648 O VAL A 42 -7.809 -0.540 6.573 1.00 0.00 O ATOM 649 CB VAL A 42 -6.723 0.387 3.764 1.00 0.00 C ATOM 650 CG1 VAL A 42 -7.818 1.425 3.479 1.00 0.00 C ATOM 651 CG2 VAL A 42 -5.600 0.606 2.758 1.00 0.00 C ATOM 0 H VAL A 42 -5.748 -1.548 5.510 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.589 1.415 5.267 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.172 -0.602 3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.180 1.301 2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.644 1.284 4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.409 2.428 3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.000 0.542 1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.160 1.591 2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.835 -0.158 2.895 1.00 0.00 H new ATOM 661 N GLU A 43 -7.566 1.695 6.726 1.00 0.00 N ATOM 662 CA GLU A 43 -8.600 1.928 7.733 1.00 0.00 C ATOM 663 C GLU A 43 -9.855 2.563 7.116 1.00 0.00 C ATOM 664 O GLU A 43 -10.809 2.852 7.831 1.00 0.00 O ATOM 665 CB GLU A 43 -8.001 2.717 8.913 1.00 0.00 C ATOM 666 CG GLU A 43 -8.040 1.828 10.161 1.00 0.00 C ATOM 667 CD GLU A 43 -7.297 2.414 11.364 1.00 0.00 C ATOM 668 OE1 GLU A 43 -6.112 2.797 11.223 1.00 0.00 O ATOM 669 OE2 GLU A 43 -7.849 2.429 12.483 1.00 0.00 O ATOM 0 H GLU A 43 -7.105 2.553 6.422 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.946 0.976 8.136 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.976 3.012 8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.567 3.633 9.082 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.080 1.654 10.438 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.608 0.857 9.917 1.00 0.00 H new ATOM 676 N GLY A 44 -9.846 2.778 5.797 1.00 0.00 N ATOM 677 CA GLY A 44 -10.944 3.336 5.019 1.00 0.00 C ATOM 678 C GLY A 44 -11.777 2.200 4.419 1.00 0.00 C ATOM 679 O GLY A 44 -11.802 1.086 4.955 1.00 0.00 O ATOM 0 H GLY A 44 -9.034 2.556 5.221 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.570 3.964 5.653 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.554 3.973 4.225 1.00 0.00 H new ATOM 683 N THR A 45 -12.404 2.460 3.275 1.00 0.00 N ATOM 684 CA THR A 45 -13.263 1.535 2.543 1.00 0.00 C ATOM 685 C THR A 45 -12.813 1.341 1.077 1.00 0.00 C ATOM 686 O THR A 45 -13.542 0.755 0.275 1.00 0.00 O ATOM 687 CB THR A 45 -14.706 2.047 2.729 1.00 0.00 C ATOM 688 OG1 THR A 45 -15.680 1.083 2.387 1.00 0.00 O ATOM 689 CG2 THR A 45 -14.965 3.332 1.930 1.00 0.00 C ATOM 0 H THR A 45 -12.323 3.365 2.811 1.00 0.00 H new ATOM 0 HA THR A 45 -13.196 0.521 2.937 1.00 0.00 H new ATOM 0 HB THR A 45 -14.799 2.261 3.794 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.401 0.609 1.576 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.993 3.658 2.089 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.281 4.112 2.264 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.806 3.139 0.869 1.00 0.00 H new ATOM 697 N ALA A 46 -11.614 1.813 0.708 1.00 0.00 N ATOM 698 CA ALA A 46 -11.051 1.692 -0.632 1.00 0.00 C ATOM 699 C ALA A 46 -11.102 0.260 -1.178 1.00 0.00 C ATOM 700 O ALA A 46 -11.006 -0.717 -0.425 1.00 0.00 O ATOM 701 CB ALA A 46 -9.598 2.152 -0.587 1.00 0.00 C ATOM 0 H ALA A 46 -10.997 2.302 1.356 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.652 2.310 -1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.159 2.069 -1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.555 3.190 -0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.040 1.527 0.110 1.00 0.00 H new ATOM 707 N ASP A 47 -11.211 0.152 -2.502 1.00 0.00 N ATOM 708 CA ASP A 47 -11.279 -1.115 -3.218 1.00 0.00 C ATOM 709 C ASP A 47 -9.927 -1.810 -3.158 1.00 0.00 C ATOM 710 O ASP A 47 -8.906 -1.150 -3.362 1.00 0.00 O ATOM 711 CB ASP A 47 -11.563 -0.899 -4.705 1.00 0.00 C ATOM 712 CG ASP A 47 -13.019 -0.598 -4.990 1.00 0.00 C ATOM 713 OD1 ASP A 47 -13.795 -1.566 -5.122 1.00 0.00 O ATOM 714 OD2 ASP A 47 -13.356 0.597 -5.136 1.00 0.00 O ATOM 0 H ASP A 47 -11.255 0.964 -3.118 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.071 -1.701 -2.751 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -10.949 -0.076 -5.071 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.266 -1.789 -5.259 1.00 0.00 H new ATOM 719 N PRO A 48 -9.875 -3.138 -2.983 1.00 0.00 N ATOM 720 CA PRO A 48 -8.606 -3.848 -2.935 1.00 0.00 C ATOM 721 C PRO A 48 -7.882 -3.724 -4.275 1.00 0.00 C ATOM 722 O PRO A 48 -6.698 -3.400 -4.307 1.00 0.00 O ATOM 723 CB PRO A 48 -8.948 -5.294 -2.583 1.00 0.00 C ATOM 724 CG PRO A 48 -10.428 -5.435 -2.943 1.00 0.00 C ATOM 725 CD PRO A 48 -10.991 -4.037 -2.748 1.00 0.00 C ATOM 0 HA PRO A 48 -7.925 -3.434 -2.191 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.334 -5.996 -3.147 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.775 -5.497 -1.526 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -10.558 -5.777 -3.970 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.928 -6.159 -2.300 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.807 -3.841 -3.444 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.392 -3.911 -1.742 1.00 0.00 H new ATOM 733 N LYS A 49 -8.617 -3.917 -5.373 1.00 0.00 N ATOM 734 CA LYS A 49 -8.129 -3.828 -6.743 1.00 0.00 C ATOM 735 C LYS A 49 -7.505 -2.467 -7.041 1.00 0.00 C ATOM 736 O LYS A 49 -6.510 -2.404 -7.753 1.00 0.00 O ATOM 737 CB LYS A 49 -9.261 -4.164 -7.724 1.00 0.00 C ATOM 738 CG LYS A 49 -10.607 -3.463 -7.448 1.00 0.00 C ATOM 739 CD LYS A 49 -11.669 -3.975 -8.421 1.00 0.00 C ATOM 740 CE LYS A 49 -13.047 -3.317 -8.248 1.00 0.00 C ATOM 741 NZ LYS A 49 -13.699 -3.592 -6.952 1.00 0.00 N ATOM 0 H LYS A 49 -9.609 -4.149 -5.325 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.333 -4.562 -6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.935 -3.904 -8.731 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.423 -5.242 -7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.921 -3.651 -6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.494 -2.384 -7.554 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.323 -3.807 -9.441 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.774 -5.052 -8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.938 -2.239 -8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.702 -3.659 -9.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.607 -4.072 -7.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.083 -4.201 -6.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.867 -2.696 -6.451 1.00 0.00 H new ATOM 755 N ALA A 50 -8.066 -1.382 -6.507 1.00 0.00 N ATOM 756 CA ALA A 50 -7.519 -0.048 -6.735 1.00 0.00 C ATOM 757 C ALA A 50 -6.348 0.233 -5.778 1.00 0.00 C ATOM 758 O ALA A 50 -5.440 0.989 -6.113 1.00 0.00 O ATOM 759 CB ALA A 50 -8.625 0.998 -6.588 1.00 0.00 C ATOM 0 H ALA A 50 -8.897 -1.402 -5.915 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.128 0.007 -7.751 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.211 1.992 -6.759 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.411 0.802 -7.317 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.043 0.947 -5.582 1.00 0.00 H new ATOM 765 N LEU A 51 -6.353 -0.357 -4.579 1.00 0.00 N ATOM 766 CA LEU A 51 -5.292 -0.180 -3.587 1.00 0.00 C ATOM 767 C LEU A 51 -4.021 -0.835 -4.108 1.00 0.00 C ATOM 768 O LEU A 51 -2.964 -0.210 -4.118 1.00 0.00 O ATOM 769 CB LEU A 51 -5.663 -0.785 -2.222 1.00 0.00 C ATOM 770 CG LEU A 51 -6.662 0.021 -1.382 1.00 0.00 C ATOM 771 CD1 LEU A 51 -7.226 -0.871 -0.271 1.00 0.00 C ATOM 772 CD2 LEU A 51 -6.008 1.270 -0.775 1.00 0.00 C ATOM 0 H LEU A 51 -7.101 -0.976 -4.268 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.144 0.889 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.076 -1.780 -2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.749 -0.912 -1.642 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.469 0.355 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.936 -0.301 0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.731 -1.729 -0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.412 -1.219 0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.745 1.817 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.180 0.971 -0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.635 1.910 -1.574 1.00 0.00 H new ATOM 784 N VAL A 52 -4.127 -2.097 -4.529 1.00 0.00 N ATOM 785 CA VAL A 52 -3.012 -2.860 -5.063 1.00 0.00 C ATOM 786 C VAL A 52 -2.469 -2.137 -6.310 1.00 0.00 C ATOM 787 O VAL A 52 -1.256 -2.057 -6.496 1.00 0.00 O ATOM 788 CB VAL A 52 -3.481 -4.324 -5.275 1.00 0.00 C ATOM 789 CG1 VAL A 52 -4.370 -4.551 -6.486 1.00 0.00 C ATOM 790 CG2 VAL A 52 -2.334 -5.315 -5.385 1.00 0.00 C ATOM 0 H VAL A 52 -5.003 -2.619 -4.506 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.165 -2.920 -4.380 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.063 -4.499 -4.370 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.643 -5.605 -6.545 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.273 -3.947 -6.393 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.833 -4.264 -7.390 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.733 -6.319 -5.532 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.702 -5.048 -6.232 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.743 -5.290 -4.470 1.00 0.00 H new ATOM 800 N GLN A 53 -3.359 -1.547 -7.117 1.00 0.00 N ATOM 801 CA GLN A 53 -3.009 -0.825 -8.324 1.00 0.00 C ATOM 802 C GLN A 53 -2.150 0.395 -8.020 1.00 0.00 C ATOM 803 O GLN A 53 -1.091 0.517 -8.620 1.00 0.00 O ATOM 804 CB GLN A 53 -4.281 -0.421 -9.071 1.00 0.00 C ATOM 805 CG GLN A 53 -3.994 0.189 -10.446 1.00 0.00 C ATOM 806 CD GLN A 53 -5.307 0.407 -11.177 1.00 0.00 C ATOM 807 OE1 GLN A 53 -5.679 -0.377 -12.047 1.00 0.00 O ATOM 808 NE2 GLN A 53 -6.075 1.403 -10.772 1.00 0.00 N ATOM 0 H GLN A 53 -4.363 -1.565 -6.936 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.416 -1.485 -8.957 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.919 -1.297 -9.193 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.838 0.297 -8.469 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.464 1.135 -10.334 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.348 -0.472 -11.023 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.744 2.041 -10.048 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.999 1.534 -11.183 1.00 0.00 H new ATOM 817 N ALA A 54 -2.547 1.258 -7.077 1.00 0.00 N ATOM 818 CA ALA A 54 -1.796 2.467 -6.736 1.00 0.00 C ATOM 819 C ALA A 54 -0.317 2.199 -6.424 1.00 0.00 C ATOM 820 O ALA A 54 0.529 3.059 -6.675 1.00 0.00 O ATOM 821 CB ALA A 54 -2.476 3.171 -5.560 1.00 0.00 C ATOM 0 H ALA A 54 -3.399 1.135 -6.530 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.803 3.111 -7.616 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.919 4.072 -5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.495 3.441 -5.837 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.500 2.502 -4.700 1.00 0.00 H new ATOM 827 N VAL A 55 -0.011 1.031 -5.857 1.00 0.00 N ATOM 828 CA VAL A 55 1.332 0.593 -5.502 1.00 0.00 C ATOM 829 C VAL A 55 2.079 0.211 -6.788 1.00 0.00 C ATOM 830 O VAL A 55 3.220 0.637 -6.990 1.00 0.00 O ATOM 831 CB VAL A 55 1.219 -0.546 -4.466 1.00 0.00 C ATOM 832 CG1 VAL A 55 2.573 -1.132 -4.047 1.00 0.00 C ATOM 833 CG2 VAL A 55 0.491 -0.094 -3.188 1.00 0.00 C ATOM 0 H VAL A 55 -0.724 0.339 -5.625 1.00 0.00 H new ATOM 0 HA VAL A 55 1.917 1.382 -5.030 1.00 0.00 H new ATOM 0 HB VAL A 55 0.645 -1.317 -4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.416 -1.927 -3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.080 -1.538 -4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.187 -0.348 -3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.435 -0.927 -2.487 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.038 0.729 -2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.516 0.236 -3.441 1.00 0.00 H new ATOM 843 N GLU A 56 1.444 -0.563 -7.670 1.00 0.00 N ATOM 844 CA GLU A 56 2.028 -0.974 -8.944 1.00 0.00 C ATOM 845 C GLU A 56 2.212 0.238 -9.862 1.00 0.00 C ATOM 846 O GLU A 56 3.178 0.288 -10.623 1.00 0.00 O ATOM 847 CB GLU A 56 1.164 -2.063 -9.581 1.00 0.00 C ATOM 848 CG GLU A 56 1.153 -3.349 -8.737 1.00 0.00 C ATOM 849 CD GLU A 56 1.700 -4.555 -9.497 1.00 0.00 C ATOM 850 OE1 GLU A 56 2.885 -4.580 -9.892 1.00 0.00 O ATOM 851 OE2 GLU A 56 0.951 -5.546 -9.665 1.00 0.00 O ATOM 0 H GLU A 56 0.502 -0.924 -7.517 1.00 0.00 H new ATOM 0 HA GLU A 56 3.018 -1.397 -8.776 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.144 -1.696 -9.698 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.539 -2.287 -10.580 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.746 -3.193 -7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.133 -3.559 -8.415 1.00 0.00 H new ATOM 858 N GLU A 57 1.347 1.249 -9.754 1.00 0.00 N ATOM 859 CA GLU A 57 1.410 2.480 -10.536 1.00 0.00 C ATOM 860 C GLU A 57 2.689 3.228 -10.136 1.00 0.00 C ATOM 861 O GLU A 57 3.292 3.913 -10.964 1.00 0.00 O ATOM 862 CB GLU A 57 0.153 3.332 -10.295 1.00 0.00 C ATOM 863 CG GLU A 57 -1.112 2.777 -10.971 1.00 0.00 C ATOM 864 CD GLU A 57 -1.228 3.140 -12.454 1.00 0.00 C ATOM 865 OE1 GLU A 57 -0.205 3.164 -13.175 1.00 0.00 O ATOM 866 OE2 GLU A 57 -2.359 3.400 -12.920 1.00 0.00 O ATOM 0 H GLU A 57 0.563 1.231 -9.102 1.00 0.00 H new ATOM 0 HA GLU A 57 1.441 2.258 -11.603 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.023 3.408 -9.222 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.335 4.343 -10.660 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.121 1.692 -10.870 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.989 3.153 -10.444 1.00 0.00 H new ATOM 873 N GLU A 58 3.112 3.132 -8.869 1.00 0.00 N ATOM 874 CA GLU A 58 4.340 3.755 -8.374 1.00 0.00 C ATOM 875 C GLU A 58 5.542 2.896 -8.804 1.00 0.00 C ATOM 876 O GLU A 58 6.679 3.378 -8.782 1.00 0.00 O ATOM 877 CB GLU A 58 4.307 3.901 -6.849 1.00 0.00 C ATOM 878 CG GLU A 58 3.667 5.212 -6.375 1.00 0.00 C ATOM 879 CD GLU A 58 4.497 6.467 -6.660 1.00 0.00 C ATOM 880 OE1 GLU A 58 5.737 6.429 -6.481 1.00 0.00 O ATOM 881 OE2 GLU A 58 3.892 7.534 -6.908 1.00 0.00 O ATOM 0 H GLU A 58 2.603 2.613 -8.153 1.00 0.00 H new ATOM 0 HA GLU A 58 4.430 4.755 -8.799 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.756 3.062 -6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.325 3.843 -6.464 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.694 5.320 -6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.489 5.147 -5.302 1.00 0.00 H new ATOM 888 N GLY A 59 5.307 1.636 -9.189 1.00 0.00 N ATOM 889 CA GLY A 59 6.309 0.697 -9.661 1.00 0.00 C ATOM 890 C GLY A 59 6.700 -0.434 -8.716 1.00 0.00 C ATOM 891 O GLY A 59 7.661 -1.137 -9.043 1.00 0.00 O ATOM 0 H GLY A 59 4.370 1.234 -9.176 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.947 0.253 -10.588 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.210 1.259 -9.907 1.00 0.00 H new ATOM 895 N TYR A 60 6.045 -0.600 -7.564 1.00 0.00 N ATOM 896 CA TYR A 60 6.360 -1.670 -6.607 1.00 0.00 C ATOM 897 C TYR A 60 5.416 -2.843 -6.843 1.00 0.00 C ATOM 898 O TYR A 60 4.377 -2.675 -7.474 1.00 0.00 O ATOM 899 CB TYR A 60 6.270 -1.160 -5.168 1.00 0.00 C ATOM 900 CG TYR A 60 7.210 0.000 -4.923 1.00 0.00 C ATOM 901 CD1 TYR A 60 6.810 1.303 -5.271 1.00 0.00 C ATOM 902 CD2 TYR A 60 8.520 -0.239 -4.464 1.00 0.00 C ATOM 903 CE1 TYR A 60 7.728 2.360 -5.197 1.00 0.00 C ATOM 904 CE2 TYR A 60 9.425 0.830 -4.339 1.00 0.00 C ATOM 905 CZ TYR A 60 9.031 2.137 -4.708 1.00 0.00 C ATOM 906 OH TYR A 60 9.917 3.164 -4.631 1.00 0.00 O ATOM 0 H TYR A 60 5.279 0.004 -7.266 1.00 0.00 H new ATOM 0 HA TYR A 60 7.385 -2.005 -6.762 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.247 -0.850 -4.956 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.507 -1.971 -4.479 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.797 1.489 -5.595 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.829 -1.242 -4.208 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.436 3.349 -5.516 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.421 0.653 -3.961 1.00 0.00 H new ATOM 0 HH TYR A 60 10.527 3.014 -3.879 1.00 0.00 H new ATOM 916 N LYS A 61 5.759 -4.044 -6.380 1.00 0.00 N ATOM 917 CA LYS A 61 4.879 -5.191 -6.585 1.00 0.00 C ATOM 918 C LYS A 61 3.863 -5.206 -5.454 1.00 0.00 C ATOM 919 O LYS A 61 4.231 -5.018 -4.290 1.00 0.00 O ATOM 920 CB LYS A 61 5.681 -6.495 -6.705 1.00 0.00 C ATOM 921 CG LYS A 61 4.726 -7.696 -6.788 1.00 0.00 C ATOM 922 CD LYS A 61 5.373 -8.991 -7.286 1.00 0.00 C ATOM 923 CE LYS A 61 4.329 -10.118 -7.374 1.00 0.00 C ATOM 924 NZ LYS A 61 3.278 -9.877 -8.389 1.00 0.00 N ATOM 0 H LYS A 61 6.620 -4.245 -5.872 1.00 0.00 H new ATOM 0 HA LYS A 61 4.343 -5.105 -7.530 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.314 -6.462 -7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.342 -6.605 -5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.301 -7.874 -5.800 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.899 -7.441 -7.450 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.822 -8.826 -8.265 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.178 -9.285 -6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.837 -11.055 -7.605 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.858 -10.242 -6.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.712 -10.740 -8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.661 -9.101 -8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.722 -9.620 -9.294 1.00 0.00 H new ATOM 938 N ALA A 62 2.598 -5.480 -5.779 1.00 0.00 N ATOM 939 CA ALA A 62 1.527 -5.523 -4.802 1.00 0.00 C ATOM 940 C ALA A 62 0.559 -6.679 -5.047 1.00 0.00 C ATOM 941 O ALA A 62 0.215 -6.955 -6.199 1.00 0.00 O ATOM 942 CB ALA A 62 0.800 -4.188 -4.888 1.00 0.00 C ATOM 0 H ALA A 62 2.295 -5.678 -6.732 1.00 0.00 H new ATOM 0 HA ALA A 62 1.943 -5.690 -3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.018 -4.172 -4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.496 -3.380 -4.664 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.401 -4.055 -5.894 1.00 0.00 H new ATOM 948 N GLU A 63 0.095 -7.322 -3.970 1.00 0.00 N ATOM 949 CA GLU A 63 -0.855 -8.432 -4.002 1.00 0.00 C ATOM 950 C GLU A 63 -1.636 -8.446 -2.682 1.00 0.00 C ATOM 951 O GLU A 63 -1.073 -8.227 -1.606 1.00 0.00 O ATOM 952 CB GLU A 63 -0.192 -9.767 -4.378 1.00 0.00 C ATOM 953 CG GLU A 63 1.012 -10.211 -3.541 1.00 0.00 C ATOM 954 CD GLU A 63 1.582 -11.516 -4.105 1.00 0.00 C ATOM 955 OE1 GLU A 63 1.056 -12.589 -3.728 1.00 0.00 O ATOM 956 OE2 GLU A 63 2.485 -11.474 -4.972 1.00 0.00 O ATOM 0 H GLU A 63 0.381 -7.074 -3.023 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.576 -8.283 -4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.950 -10.548 -4.321 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.125 -9.706 -5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.778 -9.435 -3.549 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.712 -10.353 -2.503 1.00 0.00 H new ATOM 963 N VAL A 64 -2.958 -8.603 -2.784 1.00 0.00 N ATOM 964 CA VAL A 64 -3.930 -8.612 -1.694 1.00 0.00 C ATOM 965 C VAL A 64 -3.795 -9.864 -0.815 1.00 0.00 C ATOM 966 O VAL A 64 -3.766 -10.989 -1.318 1.00 0.00 O ATOM 967 CB VAL A 64 -5.351 -8.475 -2.298 1.00 0.00 C ATOM 968 CG1 VAL A 64 -6.392 -8.220 -1.200 1.00 0.00 C ATOM 969 CG2 VAL A 64 -5.484 -7.328 -3.321 1.00 0.00 C ATOM 0 H VAL A 64 -3.405 -8.736 -3.691 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.739 -7.767 -1.033 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.526 -9.422 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.380 -8.128 -1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.390 -9.052 -0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.146 -7.298 -0.672 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.506 -7.295 -3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.245 -6.380 -2.838 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.796 -7.497 -4.149 1.00 0.00 H new ATOM 979 N LEU A 65 -3.750 -9.670 0.511 1.00 0.00 N ATOM 980 CA LEU A 65 -3.630 -10.737 1.511 1.00 0.00 C ATOM 981 C LEU A 65 -4.995 -11.089 2.110 1.00 0.00 C ATOM 982 O LEU A 65 -5.128 -11.303 3.319 1.00 0.00 O ATOM 983 CB LEU A 65 -2.604 -10.372 2.596 1.00 0.00 C ATOM 984 CG LEU A 65 -1.161 -10.251 2.086 1.00 0.00 C ATOM 985 CD1 LEU A 65 -0.260 -9.884 3.267 1.00 0.00 C ATOM 986 CD2 LEU A 65 -0.647 -11.542 1.433 1.00 0.00 C ATOM 0 H LEU A 65 -3.798 -8.740 0.927 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.259 -11.629 1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.896 -9.426 3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.638 -11.128 3.380 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.143 -9.480 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.771 -9.793 2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.586 -8.935 3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.322 -10.662 4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.378 -11.394 1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.675 -12.353 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.279 -11.796 0.582 1.00 0.00 H new ATOM 998 N ALA A 66 -6.038 -11.075 1.286 1.00 0.00 N ATOM 999 CA ALA A 66 -7.410 -11.400 1.639 1.00 0.00 C ATOM 1000 C ALA A 66 -7.884 -12.508 0.709 1.00 0.00 C ATOM 1001 O ALA A 66 -7.194 -12.797 -0.300 1.00 0.00 O ATOM 1002 CB ALA A 66 -8.301 -10.156 1.554 1.00 0.00 C ATOM 0 H ALA A 66 -5.940 -10.823 0.302 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.468 -11.749 2.670 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.324 -10.422 1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.931 -9.396 2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.283 -9.764 0.537 1.00 0.00 H new