USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 581 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 Single : A 4 HIS : no HD1:sc= -0.0598 X(o=-0.06,f=-0.0046) USER MOD Single : A 6 LYS NZ :NH3+ -140:sc= -0.936 (180deg=-2.94!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 14 ASN : amide:sc= -0.408 K(o=-0.41,f=-3.3!) USER MOD Single : A 16 LYS NZ :NH3+ -151:sc= 1.18 (180deg=0.583) USER MOD Single : A 17 TYR OH : rot -158:sc= 1.29 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= -0.0905 (180deg=-0.121) USER MOD Single : A 25 SER OG : rot 170:sc= -0.0448 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 30 SER OG : rot 42:sc= 0.49 USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= -0.0158 (180deg=-0.115) USER MOD Single : A 34 TYR OH : rot 29:sc= 1.31 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -166:sc= -0.0289 (180deg=-0.255) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.0495 K(o=-0.049,f=-0.96) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 157:sc= -0.0167 (180deg=-0.665) USER MOD Single : A 55 ASN : amide:sc= -0.0618 X(o=-0.062,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= -0.298 (180deg=-0.662!) USER MOD Single : A 65 THR OG1 : rot 81:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 61 N HIS A 4 -4.365 14.260 -9.189 1.00 0.00 N ATOM 62 CA HIS A 4 -3.535 14.566 -8.032 1.00 0.00 C ATOM 63 C HIS A 4 -3.198 13.292 -7.315 1.00 0.00 C ATOM 64 O HIS A 4 -3.981 12.345 -7.343 1.00 0.00 O ATOM 65 CB HIS A 4 -4.190 15.560 -7.061 1.00 0.00 C ATOM 66 CG HIS A 4 -4.066 17.002 -7.454 1.00 0.00 C ATOM 67 ND1 HIS A 4 -5.121 17.891 -7.436 1.00 0.00 N ATOM 68 CD2 HIS A 4 -2.975 17.732 -7.796 1.00 0.00 C ATOM 69 CE1 HIS A 4 -4.681 19.093 -7.744 1.00 0.00 C ATOM 70 NE2 HIS A 4 -3.388 19.026 -7.970 1.00 0.00 N ATOM 0 HA HIS A 4 -2.631 15.049 -8.402 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.248 15.313 -6.970 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -3.746 15.428 -6.074 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -1.967 17.361 -7.910 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.284 19.987 -7.802 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -2.790 19.810 -8.232 1.00 0.00 H new ATOM 79 N GLY A 5 -2.049 13.249 -6.704 1.00 0.00 N ATOM 80 CA GLY A 5 -1.629 12.069 -6.025 1.00 0.00 C ATOM 81 C GLY A 5 -0.903 12.382 -4.762 1.00 0.00 C ATOM 82 O GLY A 5 0.186 12.960 -4.794 1.00 0.00 O ATOM 0 H GLY A 5 -1.387 14.024 -6.665 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -2.498 11.451 -5.800 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.983 11.484 -6.680 1.00 0.00 H new ATOM 86 N LYS A 6 -1.462 11.974 -3.666 1.00 0.00 N ATOM 87 CA LYS A 6 -0.891 12.248 -2.367 1.00 0.00 C ATOM 88 C LYS A 6 -0.274 10.987 -1.789 1.00 0.00 C ATOM 89 O LYS A 6 -0.747 9.878 -2.064 1.00 0.00 O ATOM 90 CB LYS A 6 -1.967 12.801 -1.420 1.00 0.00 C ATOM 91 CG LYS A 6 -3.157 11.864 -1.198 1.00 0.00 C ATOM 92 CD LYS A 6 -4.219 12.434 -0.239 1.00 0.00 C ATOM 93 CE LYS A 6 -5.080 13.566 -0.840 1.00 0.00 C ATOM 94 NZ LYS A 6 -4.349 14.836 -1.076 1.00 0.00 N ATOM 0 H LYS A 6 -2.330 11.439 -3.637 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.108 12.998 -2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.508 13.019 -0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.334 13.746 -1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.625 11.650 -2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.793 10.916 -0.802 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.876 11.624 0.079 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.720 12.809 0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.501 13.223 -1.785 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.918 13.763 -0.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.957 15.639 -0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.486 14.853 -0.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.091 14.906 -2.081 1.00 0.00 H new ATOM 108 N TYR A 7 0.786 11.141 -1.036 1.00 0.00 N ATOM 109 CA TYR A 7 1.411 10.013 -0.380 1.00 0.00 C ATOM 110 C TYR A 7 0.797 9.790 0.972 1.00 0.00 C ATOM 111 O TYR A 7 0.680 10.728 1.769 1.00 0.00 O ATOM 112 CB TYR A 7 2.921 10.192 -0.222 1.00 0.00 C ATOM 113 CG TYR A 7 3.737 9.931 -1.463 1.00 0.00 C ATOM 114 CD1 TYR A 7 4.125 8.639 -1.780 1.00 0.00 C ATOM 115 CD2 TYR A 7 4.145 10.961 -2.295 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.890 8.372 -2.887 1.00 0.00 C ATOM 117 CE2 TYR A 7 4.918 10.704 -3.411 1.00 0.00 C ATOM 118 CZ TYR A 7 5.288 9.402 -3.698 1.00 0.00 C ATOM 119 OH TYR A 7 6.054 9.130 -4.804 1.00 0.00 O ATOM 0 H TYR A 7 1.238 12.038 -0.860 1.00 0.00 H new ATOM 0 HA TYR A 7 1.241 9.146 -1.018 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.116 11.211 0.113 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.268 9.525 0.567 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.818 7.824 -1.141 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.855 11.977 -2.069 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.177 7.357 -3.118 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.231 11.513 -4.054 1.00 0.00 H new ATOM 0 HH TYR A 7 6.254 9.965 -5.277 1.00 0.00 H new ATOM 129 N VAL A 8 0.386 8.590 1.214 1.00 0.00 N ATOM 130 CA VAL A 8 -0.155 8.184 2.485 1.00 0.00 C ATOM 131 C VAL A 8 0.584 6.936 2.922 1.00 0.00 C ATOM 132 O VAL A 8 1.454 6.439 2.186 1.00 0.00 O ATOM 133 CB VAL A 8 -1.692 7.895 2.426 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.481 9.142 2.044 1.00 0.00 C ATOM 135 CG2 VAL A 8 -1.996 6.756 1.468 1.00 0.00 C ATOM 0 H VAL A 8 0.414 7.841 0.523 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.022 9.000 3.195 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.005 7.595 3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.544 8.904 2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.306 9.924 2.783 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.158 9.491 1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.071 6.576 1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.652 7.020 0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.484 5.854 1.802 1.00 0.00 H new ATOM 145 N TYR A 9 0.266 6.427 4.071 1.00 0.00 N ATOM 146 CA TYR A 9 0.928 5.255 4.563 1.00 0.00 C ATOM 147 C TYR A 9 -0.082 4.192 4.875 1.00 0.00 C ATOM 148 O TYR A 9 -1.136 4.474 5.431 1.00 0.00 O ATOM 149 CB TYR A 9 1.759 5.569 5.815 1.00 0.00 C ATOM 150 CG TYR A 9 2.907 6.525 5.585 1.00 0.00 C ATOM 151 CD1 TYR A 9 2.718 7.896 5.654 1.00 0.00 C ATOM 152 CD2 TYR A 9 4.179 6.050 5.301 1.00 0.00 C ATOM 153 CE1 TYR A 9 3.762 8.770 5.448 1.00 0.00 C ATOM 154 CE2 TYR A 9 5.228 6.918 5.095 1.00 0.00 C ATOM 155 CZ TYR A 9 5.012 8.276 5.167 1.00 0.00 C ATOM 156 OH TYR A 9 6.058 9.147 4.959 1.00 0.00 O ATOM 0 H TYR A 9 -0.451 6.805 4.690 1.00 0.00 H new ATOM 0 HA TYR A 9 1.606 4.898 3.787 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.101 5.989 6.576 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.155 4.636 6.216 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.735 8.286 5.873 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.349 4.985 5.241 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.599 9.836 5.507 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.215 6.536 4.878 1.00 0.00 H new ATOM 0 HH TYR A 9 6.875 8.639 4.773 1.00 0.00 H new ATOM 166 N ILE A 10 0.204 2.989 4.492 1.00 0.00 N ATOM 167 CA ILE A 10 -0.671 1.895 4.833 1.00 0.00 C ATOM 168 C ILE A 10 -0.273 1.392 6.195 1.00 0.00 C ATOM 169 O ILE A 10 0.921 1.122 6.441 1.00 0.00 O ATOM 170 CB ILE A 10 -0.630 0.738 3.798 1.00 0.00 C ATOM 171 CG1 ILE A 10 -0.982 1.253 2.392 1.00 0.00 C ATOM 172 CG2 ILE A 10 -1.546 -0.423 4.207 1.00 0.00 C ATOM 173 CD1 ILE A 10 -2.285 2.018 2.319 1.00 0.00 C ATOM 0 H ILE A 10 1.027 2.732 3.947 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.698 2.261 4.831 1.00 0.00 H new ATOM 0 HB ILE A 10 0.389 0.352 3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.176 1.897 2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.033 0.405 1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.489 -1.212 3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.227 -0.816 5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.573 -0.067 4.282 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.458 2.345 1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.104 1.373 2.637 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.233 2.888 2.974 1.00 0.00 H new ATOM 185 N ASP A 11 -1.241 1.284 7.075 1.00 0.00 N ATOM 186 CA ASP A 11 -1.003 0.904 8.445 1.00 0.00 C ATOM 187 C ASP A 11 -0.668 -0.563 8.556 1.00 0.00 C ATOM 188 O ASP A 11 -1.552 -1.428 8.634 1.00 0.00 O ATOM 189 CB ASP A 11 -2.181 1.280 9.363 1.00 0.00 C ATOM 190 CG ASP A 11 -1.927 0.942 10.827 1.00 0.00 C ATOM 191 OD1 ASP A 11 -1.103 1.613 11.478 1.00 0.00 O ATOM 192 OD2 ASP A 11 -2.551 -0.005 11.349 1.00 0.00 O ATOM 0 H ASP A 11 -2.222 1.459 6.857 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.138 1.472 8.788 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.379 2.348 9.272 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.077 0.760 9.026 1.00 0.00 H new ATOM 197 N LEU A 12 0.604 -0.849 8.432 1.00 0.00 N ATOM 198 CA LEU A 12 1.102 -2.185 8.630 1.00 0.00 C ATOM 199 C LEU A 12 1.224 -2.409 10.118 1.00 0.00 C ATOM 200 O LEU A 12 0.950 -3.497 10.619 1.00 0.00 O ATOM 201 CB LEU A 12 2.473 -2.352 7.980 1.00 0.00 C ATOM 202 CG LEU A 12 2.570 -2.082 6.482 1.00 0.00 C ATOM 203 CD1 LEU A 12 4.011 -2.201 6.027 1.00 0.00 C ATOM 204 CD2 LEU A 12 1.694 -3.046 5.708 1.00 0.00 C ATOM 0 H LEU A 12 1.321 -0.164 8.192 1.00 0.00 H new ATOM 0 HA LEU A 12 0.422 -2.906 8.176 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.172 -1.688 8.489 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.812 -3.372 8.162 1.00 0.00 H new ATOM 0 HG LEU A 12 2.219 -1.069 6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.072 -2.007 4.956 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.623 -1.475 6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.376 -3.207 6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.777 -2.837 4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.017 -4.068 5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.657 -2.927 6.021 1.00 0.00 H new ATOM 216 N ASN A 13 1.697 -1.342 10.806 1.00 0.00 N ATOM 217 CA ASN A 13 1.835 -1.254 12.292 1.00 0.00 C ATOM 218 C ASN A 13 2.987 -2.123 12.846 1.00 0.00 C ATOM 219 O ASN A 13 3.564 -1.815 13.890 1.00 0.00 O ATOM 220 CB ASN A 13 0.493 -1.577 12.994 1.00 0.00 C ATOM 221 CG ASN A 13 0.542 -1.470 14.512 1.00 0.00 C ATOM 222 OD1 ASN A 13 0.859 -2.439 15.211 1.00 0.00 O ATOM 223 ND2 ASN A 13 0.202 -0.312 15.035 1.00 0.00 N ATOM 0 H ASN A 13 2.004 -0.491 10.335 1.00 0.00 H new ATOM 0 HA ASN A 13 2.101 -0.222 12.519 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.273 -0.900 12.618 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.187 -2.587 12.722 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.194 -0.192 16.048 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.054 0.466 14.428 1.00 0.00 H new ATOM 230 N ASN A 14 3.393 -3.099 12.065 1.00 0.00 N ATOM 231 CA ASN A 14 4.386 -4.144 12.411 1.00 0.00 C ATOM 232 C ASN A 14 5.829 -3.630 12.414 1.00 0.00 C ATOM 233 O ASN A 14 6.784 -4.401 12.313 1.00 0.00 O ATOM 234 CB ASN A 14 4.246 -5.349 11.454 1.00 0.00 C ATOM 235 CG ASN A 14 4.357 -4.980 9.973 1.00 0.00 C ATOM 236 OD1 ASN A 14 5.021 -4.015 9.594 1.00 0.00 O ATOM 237 ND2 ASN A 14 3.707 -5.737 9.133 1.00 0.00 N ATOM 0 H ASN A 14 3.033 -3.209 11.117 1.00 0.00 H new ATOM 0 HA ASN A 14 4.168 -4.457 13.432 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.015 -6.083 11.694 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.283 -5.829 11.628 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.741 -5.536 8.134 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.165 -6.530 9.475 1.00 0.00 H new ATOM 244 N GLY A 15 5.971 -2.349 12.537 1.00 0.00 N ATOM 245 CA GLY A 15 7.283 -1.741 12.637 1.00 0.00 C ATOM 246 C GLY A 15 7.736 -1.081 11.363 1.00 0.00 C ATOM 247 O GLY A 15 8.852 -0.558 11.291 1.00 0.00 O ATOM 0 H GLY A 15 5.194 -1.689 12.572 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.272 -1.000 13.437 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.008 -2.504 12.920 1.00 0.00 H new ATOM 251 N LYS A 16 6.903 -1.106 10.365 1.00 0.00 N ATOM 252 CA LYS A 16 7.183 -0.427 9.129 1.00 0.00 C ATOM 253 C LYS A 16 5.882 -0.060 8.480 1.00 0.00 C ATOM 254 O LYS A 16 4.836 -0.599 8.856 1.00 0.00 O ATOM 255 CB LYS A 16 8.064 -1.285 8.195 1.00 0.00 C ATOM 256 CG LYS A 16 7.474 -2.631 7.802 1.00 0.00 C ATOM 257 CD LYS A 16 8.485 -3.443 7.020 1.00 0.00 C ATOM 258 CE LYS A 16 7.939 -4.793 6.608 1.00 0.00 C ATOM 259 NZ LYS A 16 8.988 -5.620 5.985 1.00 0.00 N ATOM 0 H LYS A 16 6.009 -1.597 10.382 1.00 0.00 H new ATOM 0 HA LYS A 16 7.752 0.479 9.335 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.265 -0.716 7.287 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.024 -1.456 8.683 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.172 -3.178 8.695 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.577 -2.481 7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.785 -2.888 6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.381 -3.585 7.625 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.536 -5.308 7.480 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.114 -4.657 5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.555 -6.273 5.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.669 -5.006 5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.482 -6.166 6.720 1.00 0.00 H new ATOM 273 N TYR A 17 5.925 0.879 7.580 1.00 0.00 N ATOM 274 CA TYR A 17 4.755 1.331 6.848 1.00 0.00 C ATOM 275 C TYR A 17 5.115 1.465 5.414 1.00 0.00 C ATOM 276 O TYR A 17 6.257 1.758 5.096 1.00 0.00 O ATOM 277 CB TYR A 17 4.248 2.693 7.357 1.00 0.00 C ATOM 278 CG TYR A 17 3.428 2.658 8.629 1.00 0.00 C ATOM 279 CD1 TYR A 17 3.961 2.213 9.815 1.00 0.00 C ATOM 280 CD2 TYR A 17 2.108 3.080 8.628 1.00 0.00 C ATOM 281 CE1 TYR A 17 3.215 2.188 10.959 1.00 0.00 C ATOM 282 CE2 TYR A 17 1.361 3.060 9.777 1.00 0.00 C ATOM 283 CZ TYR A 17 1.924 2.610 10.937 1.00 0.00 C ATOM 284 OH TYR A 17 1.194 2.585 12.086 1.00 0.00 O ATOM 0 H TYR A 17 6.783 1.366 7.323 1.00 0.00 H new ATOM 0 HA TYR A 17 3.961 0.598 6.993 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.109 3.342 7.520 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.647 3.152 6.572 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.987 1.877 9.843 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.662 3.430 7.709 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.651 1.833 11.881 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.335 3.397 9.765 1.00 0.00 H new ATOM 0 HH TYR A 17 0.239 2.572 11.867 1.00 0.00 H new ATOM 294 N VAL A 18 4.176 1.256 4.554 1.00 0.00 N ATOM 295 CA VAL A 18 4.417 1.422 3.154 1.00 0.00 C ATOM 296 C VAL A 18 3.865 2.756 2.717 1.00 0.00 C ATOM 297 O VAL A 18 2.732 3.125 3.073 1.00 0.00 O ATOM 298 CB VAL A 18 3.856 0.243 2.294 1.00 0.00 C ATOM 299 CG1 VAL A 18 2.409 -0.037 2.606 1.00 0.00 C ATOM 300 CG2 VAL A 18 4.029 0.518 0.808 1.00 0.00 C ATOM 0 H VAL A 18 3.228 0.968 4.794 1.00 0.00 H new ATOM 0 HA VAL A 18 5.494 1.405 2.986 1.00 0.00 H new ATOM 0 HB VAL A 18 4.434 -0.644 2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.057 -0.863 1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.309 -0.303 3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.813 0.852 2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.630 -0.319 0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.493 1.429 0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.088 0.641 0.582 1.00 0.00 H new ATOM 310 N LYS A 19 4.676 3.488 2.011 1.00 0.00 N ATOM 311 CA LYS A 19 4.333 4.792 1.563 1.00 0.00 C ATOM 312 C LYS A 19 3.825 4.689 0.144 1.00 0.00 C ATOM 313 O LYS A 19 4.593 4.439 -0.793 1.00 0.00 O ATOM 314 CB LYS A 19 5.558 5.692 1.653 1.00 0.00 C ATOM 315 CG LYS A 19 5.293 7.146 1.350 1.00 0.00 C ATOM 316 CD LYS A 19 6.545 7.963 1.549 1.00 0.00 C ATOM 317 CE LYS A 19 6.286 9.433 1.315 1.00 0.00 C ATOM 318 NZ LYS A 19 7.492 10.246 1.542 1.00 0.00 N ATOM 0 H LYS A 19 5.608 3.184 1.729 1.00 0.00 H new ATOM 0 HA LYS A 19 3.551 5.227 2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.977 5.614 2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.316 5.323 0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.942 7.252 0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.500 7.520 1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.921 7.815 2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.321 7.615 0.867 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.935 9.582 0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.490 9.771 1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.272 11.248 1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.813 10.124 2.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.244 9.941 0.892 1.00 0.00 H new ATOM 332 N VAL A 20 2.553 4.859 -0.006 1.00 0.00 N ATOM 333 CA VAL A 20 1.911 4.692 -1.273 1.00 0.00 C ATOM 334 C VAL A 20 1.297 6.012 -1.724 1.00 0.00 C ATOM 335 O VAL A 20 0.763 6.781 -0.914 1.00 0.00 O ATOM 336 CB VAL A 20 0.835 3.553 -1.207 1.00 0.00 C ATOM 337 CG1 VAL A 20 -0.241 3.853 -0.177 1.00 0.00 C ATOM 338 CG2 VAL A 20 0.215 3.266 -2.575 1.00 0.00 C ATOM 0 H VAL A 20 1.922 5.120 0.752 1.00 0.00 H new ATOM 0 HA VAL A 20 2.657 4.393 -2.010 1.00 0.00 H new ATOM 0 HB VAL A 20 1.359 2.651 -0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.967 3.040 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.215 3.950 0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.744 4.784 -0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.524 2.471 -2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.268 4.167 -2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.995 2.955 -3.270 1.00 0.00 H new ATOM 348 N ARG A 21 1.429 6.300 -2.986 1.00 0.00 N ATOM 349 CA ARG A 21 0.860 7.480 -3.545 1.00 0.00 C ATOM 350 C ARG A 21 -0.462 7.113 -4.163 1.00 0.00 C ATOM 351 O ARG A 21 -0.532 6.251 -5.058 1.00 0.00 O ATOM 352 CB ARG A 21 1.785 8.102 -4.587 1.00 0.00 C ATOM 353 CG ARG A 21 1.379 9.506 -4.995 1.00 0.00 C ATOM 354 CD ARG A 21 2.354 10.096 -5.993 1.00 0.00 C ATOM 355 NE ARG A 21 2.115 11.527 -6.212 1.00 0.00 N ATOM 356 CZ ARG A 21 2.720 12.277 -7.139 1.00 0.00 C ATOM 357 NH1 ARG A 21 3.517 11.718 -8.045 1.00 0.00 N ATOM 358 NH2 ARG A 21 2.502 13.587 -7.171 1.00 0.00 N ATOM 0 H ARG A 21 1.936 5.719 -3.653 1.00 0.00 H new ATOM 0 HA ARG A 21 0.718 8.224 -2.761 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.800 8.126 -4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.803 7.466 -5.472 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.379 9.485 -5.429 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.330 10.143 -4.112 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.373 9.949 -5.635 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.269 9.565 -6.941 1.00 0.00 H new ATOM 0 HE ARG A 21 1.433 11.986 -5.609 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.671 10.710 -8.036 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.975 12.298 -8.749 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.875 14.017 -6.490 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.961 14.163 -7.876 1.00 0.00 H new ATOM 372 N ILE A 22 -1.488 7.718 -3.672 1.00 0.00 N ATOM 373 CA ILE A 22 -2.813 7.464 -4.143 1.00 0.00 C ATOM 374 C ILE A 22 -3.161 8.539 -5.129 1.00 0.00 C ATOM 375 O ILE A 22 -3.275 9.718 -4.740 1.00 0.00 O ATOM 376 CB ILE A 22 -3.858 7.534 -2.989 1.00 0.00 C ATOM 377 CG1 ILE A 22 -3.435 6.686 -1.772 1.00 0.00 C ATOM 378 CG2 ILE A 22 -5.244 7.121 -3.483 1.00 0.00 C ATOM 379 CD1 ILE A 22 -3.216 5.217 -2.048 1.00 0.00 C ATOM 0 H ILE A 22 -1.434 8.410 -2.925 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.839 6.466 -4.581 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.903 8.572 -2.659 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.514 7.102 -1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.199 6.783 -1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.956 7.178 -2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.560 7.791 -4.283 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.206 6.099 -3.860 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.922 4.714 -1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.139 4.776 -2.424 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.429 5.100 -2.793 1.00 0.00 H new ATOM 391 N LEU A 23 -3.264 8.190 -6.391 1.00 0.00 N ATOM 392 CA LEU A 23 -3.722 9.151 -7.351 1.00 0.00 C ATOM 393 C LEU A 23 -5.226 9.176 -7.212 1.00 0.00 C ATOM 394 O LEU A 23 -5.901 8.216 -7.576 1.00 0.00 O ATOM 395 CB LEU A 23 -3.323 8.757 -8.788 1.00 0.00 C ATOM 396 CG LEU A 23 -1.822 8.505 -9.059 1.00 0.00 C ATOM 397 CD1 LEU A 23 -1.579 8.189 -10.526 1.00 0.00 C ATOM 398 CD2 LEU A 23 -0.973 9.689 -8.631 1.00 0.00 C ATOM 0 H LEU A 23 -3.041 7.268 -6.765 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.274 10.128 -7.169 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.871 7.854 -9.055 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.660 9.545 -9.461 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.526 7.642 -8.463 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.515 8.016 -10.690 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.139 7.296 -10.803 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.908 9.028 -11.138 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.076 9.477 -8.836 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.279 10.576 -9.186 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.106 9.865 -7.564 1.00 0.00 H new ATOM 410 N LYS A 24 -5.733 10.246 -6.685 1.00 0.00 N ATOM 411 CA LYS A 24 -7.128 10.353 -6.349 1.00 0.00 C ATOM 412 C LYS A 24 -7.679 11.660 -6.856 1.00 0.00 C ATOM 413 O LYS A 24 -7.189 12.738 -6.502 1.00 0.00 O ATOM 414 CB LYS A 24 -7.319 10.248 -4.814 1.00 0.00 C ATOM 415 CG LYS A 24 -8.757 10.476 -4.332 1.00 0.00 C ATOM 416 CD LYS A 24 -8.848 10.544 -2.802 1.00 0.00 C ATOM 417 CE LYS A 24 -8.790 9.181 -2.116 1.00 0.00 C ATOM 418 NZ LYS A 24 -10.052 8.415 -2.284 1.00 0.00 N ATOM 0 H LYS A 24 -5.189 11.082 -6.472 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.670 9.535 -6.823 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.993 9.261 -4.487 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.668 10.976 -4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.140 11.403 -4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.394 9.670 -4.697 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.033 11.163 -2.427 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.779 11.040 -2.525 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.960 8.605 -2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.589 9.319 -1.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.974 7.504 -1.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.844 8.959 -1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.223 8.245 -3.296 1.00 0.00 H new ATOM 432 N SER A 25 -8.638 11.568 -7.719 1.00 0.00 N ATOM 433 CA SER A 25 -9.316 12.710 -8.237 1.00 0.00 C ATOM 434 C SER A 25 -10.767 12.350 -8.516 1.00 0.00 C ATOM 435 O SER A 25 -11.071 11.597 -9.441 1.00 0.00 O ATOM 436 CB SER A 25 -8.616 13.217 -9.497 1.00 0.00 C ATOM 437 OG SER A 25 -7.259 13.537 -9.209 1.00 0.00 O ATOM 0 H SER A 25 -8.978 10.681 -8.090 1.00 0.00 H new ATOM 0 HA SER A 25 -9.293 13.515 -7.502 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.661 12.457 -10.278 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.132 14.098 -9.879 1.00 0.00 H new ATOM 0 HG SER A 25 -6.780 13.712 -10.046 1.00 0.00 H new ATOM 443 N ARG A 26 -11.655 12.834 -7.685 1.00 0.00 N ATOM 444 CA ARG A 26 -13.062 12.546 -7.854 1.00 0.00 C ATOM 445 C ARG A 26 -13.682 13.531 -8.848 1.00 0.00 C ATOM 446 O ARG A 26 -14.828 13.372 -9.252 1.00 0.00 O ATOM 447 CB ARG A 26 -13.797 12.581 -6.507 1.00 0.00 C ATOM 448 CG ARG A 26 -15.231 12.068 -6.566 1.00 0.00 C ATOM 449 CD ARG A 26 -15.905 12.105 -5.214 1.00 0.00 C ATOM 450 NE ARG A 26 -17.259 11.533 -5.269 1.00 0.00 N ATOM 451 CZ ARG A 26 -18.140 11.535 -4.258 1.00 0.00 C ATOM 452 NH1 ARG A 26 -17.825 12.090 -3.098 1.00 0.00 N ATOM 453 NH2 ARG A 26 -19.330 10.978 -4.408 1.00 0.00 N ATOM 0 H ARG A 26 -11.433 13.428 -6.886 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.166 11.538 -8.256 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -13.239 11.985 -5.785 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -13.804 13.606 -6.136 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -15.802 12.671 -7.272 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -15.234 11.046 -6.944 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -15.305 11.552 -4.492 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.958 13.135 -4.861 1.00 0.00 H new ATOM 0 HE ARG A 26 -17.551 11.101 -6.145 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -16.908 12.519 -2.970 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -18.499 12.089 -2.332 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -19.582 10.544 -5.296 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -19.996 10.982 -3.636 1.00 0.00 H new ATOM 467 N ASP A 27 -12.884 14.531 -9.254 1.00 0.00 N ATOM 468 CA ASP A 27 -13.293 15.605 -10.202 1.00 0.00 C ATOM 469 C ASP A 27 -14.056 15.065 -11.386 1.00 0.00 C ATOM 470 O ASP A 27 -15.155 15.528 -11.689 1.00 0.00 O ATOM 471 CB ASP A 27 -12.073 16.383 -10.731 1.00 0.00 C ATOM 472 CG ASP A 27 -11.382 17.221 -9.695 1.00 0.00 C ATOM 473 OD1 ASP A 27 -10.572 16.694 -8.935 1.00 0.00 O ATOM 474 OD2 ASP A 27 -11.625 18.448 -9.631 1.00 0.00 O ATOM 0 H ASP A 27 -11.920 14.627 -8.934 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.942 16.270 -9.632 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.356 15.674 -11.146 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.394 17.028 -11.549 1.00 0.00 H new ATOM 479 N ASP A 28 -13.479 14.081 -12.044 1.00 0.00 N ATOM 480 CA ASP A 28 -14.102 13.475 -13.215 1.00 0.00 C ATOM 481 C ASP A 28 -15.314 12.638 -12.830 1.00 0.00 C ATOM 482 O ASP A 28 -16.445 12.936 -13.236 1.00 0.00 O ATOM 483 CB ASP A 28 -13.097 12.601 -13.946 1.00 0.00 C ATOM 484 CG ASP A 28 -13.664 11.979 -15.191 1.00 0.00 C ATOM 485 OD1 ASP A 28 -13.745 12.677 -16.221 1.00 0.00 O ATOM 486 OD2 ASP A 28 -13.975 10.764 -15.176 1.00 0.00 O ATOM 0 H ASP A 28 -12.576 13.679 -11.791 1.00 0.00 H new ATOM 0 HA ASP A 28 -14.435 14.282 -13.868 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.225 13.200 -14.209 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -12.752 11.813 -13.276 1.00 0.00 H new ATOM 491 N ASN A 29 -15.079 11.628 -12.022 1.00 0.00 N ATOM 492 CA ASN A 29 -16.124 10.715 -11.564 1.00 0.00 C ATOM 493 C ASN A 29 -15.588 9.877 -10.427 1.00 0.00 C ATOM 494 O ASN A 29 -16.029 10.008 -9.279 1.00 0.00 O ATOM 495 CB ASN A 29 -16.616 9.796 -12.707 1.00 0.00 C ATOM 496 CG ASN A 29 -17.661 8.785 -12.259 1.00 0.00 C ATOM 497 OD1 ASN A 29 -18.448 9.039 -11.345 1.00 0.00 O ATOM 498 ND2 ASN A 29 -17.670 7.637 -12.888 1.00 0.00 N ATOM 0 H ASN A 29 -14.152 11.408 -11.657 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.974 11.307 -11.225 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -17.034 10.411 -13.504 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.763 9.264 -13.129 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.344 6.917 -12.626 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.003 7.462 -13.640 1.00 0.00 H new ATOM 505 N SER A 30 -14.623 9.047 -10.745 1.00 0.00 N ATOM 506 CA SER A 30 -13.983 8.190 -9.786 1.00 0.00 C ATOM 507 C SER A 30 -12.606 7.808 -10.309 1.00 0.00 C ATOM 508 O SER A 30 -12.478 6.928 -11.169 1.00 0.00 O ATOM 509 CB SER A 30 -14.849 6.935 -9.534 1.00 0.00 C ATOM 510 OG SER A 30 -15.165 6.273 -10.766 1.00 0.00 O ATOM 0 H SER A 30 -14.258 8.950 -11.692 1.00 0.00 H new ATOM 0 HA SER A 30 -13.870 8.712 -8.836 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.318 6.249 -8.874 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.769 7.220 -9.024 1.00 0.00 H new ATOM 0 HG SER A 30 -14.373 6.259 -11.342 1.00 0.00 H new ATOM 516 N VAL A 31 -11.599 8.513 -9.874 1.00 0.00 N ATOM 517 CA VAL A 31 -10.256 8.244 -10.322 1.00 0.00 C ATOM 518 C VAL A 31 -9.371 7.940 -9.135 1.00 0.00 C ATOM 519 O VAL A 31 -9.093 8.828 -8.320 1.00 0.00 O ATOM 520 CB VAL A 31 -9.646 9.439 -11.126 1.00 0.00 C ATOM 521 CG1 VAL A 31 -8.248 9.106 -11.641 1.00 0.00 C ATOM 522 CG2 VAL A 31 -10.553 9.851 -12.278 1.00 0.00 C ATOM 0 H VAL A 31 -11.681 9.281 -9.208 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.306 7.384 -10.990 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.563 10.282 -10.440 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.852 9.957 -12.195 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.593 8.885 -10.798 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.299 8.237 -12.298 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.101 10.684 -12.817 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.685 9.008 -12.957 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.523 10.156 -11.886 1.00 0.00 H new ATOM 532 N GLU A 32 -9.030 6.682 -8.989 1.00 0.00 N ATOM 533 CA GLU A 32 -8.071 6.221 -8.014 1.00 0.00 C ATOM 534 C GLU A 32 -7.148 5.213 -8.613 1.00 0.00 C ATOM 535 O GLU A 32 -7.545 4.083 -8.924 1.00 0.00 O ATOM 536 CB GLU A 32 -8.698 5.685 -6.740 1.00 0.00 C ATOM 537 CG GLU A 32 -9.145 6.772 -5.812 1.00 0.00 C ATOM 538 CD GLU A 32 -9.664 6.263 -4.515 1.00 0.00 C ATOM 539 OE1 GLU A 32 -8.938 5.563 -3.797 1.00 0.00 O ATOM 540 OE2 GLU A 32 -10.790 6.626 -4.143 1.00 0.00 O ATOM 0 H GLU A 32 -9.421 5.932 -9.559 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.501 7.102 -7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.552 5.058 -6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.978 5.048 -6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.308 7.444 -5.622 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.922 7.360 -6.300 1.00 0.00 H new ATOM 547 N LYS A 33 -5.943 5.634 -8.810 1.00 0.00 N ATOM 548 CA LYS A 33 -4.907 4.807 -9.346 1.00 0.00 C ATOM 549 C LYS A 33 -3.851 4.690 -8.290 1.00 0.00 C ATOM 550 O LYS A 33 -3.484 5.686 -7.658 1.00 0.00 O ATOM 551 CB LYS A 33 -4.306 5.430 -10.602 1.00 0.00 C ATOM 552 CG LYS A 33 -5.290 5.678 -11.727 1.00 0.00 C ATOM 553 CD LYS A 33 -4.597 6.355 -12.891 1.00 0.00 C ATOM 554 CE LYS A 33 -5.544 6.631 -14.044 1.00 0.00 C ATOM 555 NZ LYS A 33 -6.163 5.400 -14.591 1.00 0.00 N ATOM 0 H LYS A 33 -5.641 6.585 -8.598 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.309 3.832 -9.621 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.839 6.377 -10.332 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.514 4.778 -10.970 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.725 4.734 -12.053 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.110 6.301 -11.371 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.157 7.293 -12.553 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.778 5.726 -13.239 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.330 7.308 -13.708 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.001 7.142 -14.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.677 5.629 -15.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.421 4.701 -14.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.826 5.005 -13.894 1.00 0.00 H new ATOM 569 N TYR A 34 -3.381 3.520 -8.063 1.00 0.00 N ATOM 570 CA TYR A 34 -2.420 3.327 -7.029 1.00 0.00 C ATOM 571 C TYR A 34 -1.068 3.129 -7.637 1.00 0.00 C ATOM 572 O TYR A 34 -0.944 2.486 -8.691 1.00 0.00 O ATOM 573 CB TYR A 34 -2.841 2.159 -6.131 1.00 0.00 C ATOM 574 CG TYR A 34 -4.242 2.367 -5.592 1.00 0.00 C ATOM 575 CD1 TYR A 34 -4.479 3.261 -4.568 1.00 0.00 C ATOM 576 CD2 TYR A 34 -5.327 1.721 -6.156 1.00 0.00 C ATOM 577 CE1 TYR A 34 -5.757 3.499 -4.107 1.00 0.00 C ATOM 578 CE2 TYR A 34 -6.606 1.960 -5.714 1.00 0.00 C ATOM 579 CZ TYR A 34 -6.815 2.851 -4.686 1.00 0.00 C ATOM 580 OH TYR A 34 -8.096 3.097 -4.249 1.00 0.00 O ATOM 0 H TYR A 34 -3.642 2.678 -8.576 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.367 4.211 -6.393 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.799 1.228 -6.696 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.139 2.061 -5.303 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.648 3.784 -4.119 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.166 1.016 -6.958 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.922 4.192 -3.295 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.442 1.452 -6.171 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.153 4.011 -3.900 1.00 0.00 H new ATOM 590 N VAL A 35 -0.074 3.733 -7.032 1.00 0.00 N ATOM 591 CA VAL A 35 1.275 3.608 -7.509 1.00 0.00 C ATOM 592 C VAL A 35 1.732 2.150 -7.320 1.00 0.00 C ATOM 593 O VAL A 35 1.303 1.466 -6.387 1.00 0.00 O ATOM 594 CB VAL A 35 2.229 4.613 -6.796 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.437 4.266 -5.340 1.00 0.00 C ATOM 596 CG2 VAL A 35 3.550 4.759 -7.527 1.00 0.00 C ATOM 0 H VAL A 35 -0.179 4.319 -6.204 1.00 0.00 H new ATOM 0 HA VAL A 35 1.310 3.858 -8.569 1.00 0.00 H new ATOM 0 HB VAL A 35 1.735 5.584 -6.826 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.109 4.994 -4.885 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.478 4.283 -4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.874 3.271 -5.262 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.184 5.469 -6.995 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.049 3.791 -7.573 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.368 5.122 -8.538 1.00 0.00 H new ATOM 606 N LEU A 36 2.579 1.691 -8.196 1.00 0.00 N ATOM 607 CA LEU A 36 2.973 0.318 -8.239 1.00 0.00 C ATOM 608 C LEU A 36 4.097 0.003 -7.259 1.00 0.00 C ATOM 609 O LEU A 36 4.465 -1.162 -7.084 1.00 0.00 O ATOM 610 CB LEU A 36 3.337 -0.115 -9.674 1.00 0.00 C ATOM 611 CG LEU A 36 2.204 -0.133 -10.743 1.00 0.00 C ATOM 612 CD1 LEU A 36 1.014 -0.967 -10.294 1.00 0.00 C ATOM 613 CD2 LEU A 36 1.766 1.273 -11.142 1.00 0.00 C ATOM 0 H LEU A 36 3.020 2.271 -8.910 1.00 0.00 H new ATOM 0 HA LEU A 36 2.110 -0.267 -7.921 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.124 0.548 -10.033 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.763 -1.117 -9.622 1.00 0.00 H new ATOM 0 HG LEU A 36 2.625 -0.607 -11.630 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.247 -0.953 -11.068 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.335 -1.994 -10.119 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.606 -0.553 -9.372 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.975 1.209 -11.889 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.394 1.801 -10.264 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.616 1.814 -11.558 1.00 0.00 H new ATOM 625 N THR A 37 4.602 1.007 -6.591 1.00 0.00 N ATOM 626 CA THR A 37 5.702 0.803 -5.697 1.00 0.00 C ATOM 627 C THR A 37 5.169 0.452 -4.307 1.00 0.00 C ATOM 628 O THR A 37 4.026 0.754 -3.961 1.00 0.00 O ATOM 629 CB THR A 37 6.644 2.059 -5.629 1.00 0.00 C ATOM 630 OG1 THR A 37 7.826 1.768 -4.858 1.00 0.00 O ATOM 631 CG2 THR A 37 5.939 3.261 -5.007 1.00 0.00 C ATOM 0 H THR A 37 4.268 1.969 -6.651 1.00 0.00 H new ATOM 0 HA THR A 37 6.302 -0.024 -6.077 1.00 0.00 H new ATOM 0 HB THR A 37 6.919 2.303 -6.655 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.401 2.561 -4.828 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.623 4.109 -4.978 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.065 3.520 -5.605 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.624 3.014 -3.993 1.00 0.00 H new ATOM 639 N SER A 38 5.981 -0.225 -3.553 1.00 0.00 N ATOM 640 CA SER A 38 5.629 -0.700 -2.252 1.00 0.00 C ATOM 641 C SER A 38 6.720 -0.271 -1.290 1.00 0.00 C ATOM 642 O SER A 38 6.945 -0.880 -0.247 1.00 0.00 O ATOM 643 CB SER A 38 5.477 -2.210 -2.311 1.00 0.00 C ATOM 644 OG SER A 38 4.570 -2.572 -3.353 1.00 0.00 O ATOM 0 H SER A 38 6.931 -0.468 -3.834 1.00 0.00 H new ATOM 0 HA SER A 38 4.682 -0.285 -1.907 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.448 -2.674 -2.486 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.112 -2.584 -1.354 1.00 0.00 H new ATOM 0 HG SER A 38 4.480 -3.547 -3.384 1.00 0.00 H new ATOM 650 N HIS A 39 7.387 0.794 -1.695 1.00 0.00 N ATOM 651 CA HIS A 39 8.441 1.446 -0.951 1.00 0.00 C ATOM 652 C HIS A 39 8.033 1.715 0.516 1.00 0.00 C ATOM 653 O HIS A 39 7.079 2.457 0.797 1.00 0.00 O ATOM 654 CB HIS A 39 8.835 2.730 -1.715 1.00 0.00 C ATOM 655 CG HIS A 39 9.532 3.779 -0.926 1.00 0.00 C ATOM 656 ND1 HIS A 39 10.851 3.729 -0.561 1.00 0.00 N ATOM 657 CD2 HIS A 39 9.047 4.916 -0.426 1.00 0.00 C ATOM 658 CE1 HIS A 39 11.148 4.797 0.138 1.00 0.00 C ATOM 659 NE2 HIS A 39 10.069 5.537 0.233 1.00 0.00 N ATOM 0 H HIS A 39 7.198 1.245 -2.590 1.00 0.00 H new ATOM 0 HA HIS A 39 9.311 0.793 -0.880 1.00 0.00 H new ATOM 0 HB2 HIS A 39 9.476 2.448 -2.550 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.931 3.166 -2.140 1.00 0.00 H new ATOM 0 HD2 HIS A 39 8.034 5.278 -0.524 1.00 0.00 H new ATOM 0 HE1 HIS A 39 12.114 5.028 0.562 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.004 6.431 0.720 1.00 0.00 H new ATOM 668 N VAL A 40 8.769 1.122 1.421 1.00 0.00 N ATOM 669 CA VAL A 40 8.473 1.207 2.833 1.00 0.00 C ATOM 670 C VAL A 40 9.294 2.249 3.576 1.00 0.00 C ATOM 671 O VAL A 40 10.373 2.669 3.133 1.00 0.00 O ATOM 672 CB VAL A 40 8.557 -0.165 3.562 1.00 0.00 C ATOM 673 CG1 VAL A 40 7.350 -1.011 3.226 1.00 0.00 C ATOM 674 CG2 VAL A 40 9.819 -0.917 3.174 1.00 0.00 C ATOM 0 H VAL A 40 9.594 0.564 1.201 1.00 0.00 H new ATOM 0 HA VAL A 40 7.435 1.539 2.859 1.00 0.00 H new ATOM 0 HB VAL A 40 8.582 0.031 4.634 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.421 -1.968 3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.444 -0.494 3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.313 -1.181 2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.850 -1.872 3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.821 -1.094 2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.693 -0.325 3.446 1.00 0.00 H new ATOM 684 N SER A 41 8.739 2.690 4.667 1.00 0.00 N ATOM 685 CA SER A 41 9.355 3.608 5.562 1.00 0.00 C ATOM 686 C SER A 41 9.644 2.864 6.857 1.00 0.00 C ATOM 687 O SER A 41 8.947 1.893 7.200 1.00 0.00 O ATOM 688 CB SER A 41 8.430 4.816 5.814 1.00 0.00 C ATOM 689 OG SER A 41 9.042 5.787 6.662 1.00 0.00 O ATOM 0 H SER A 41 7.806 2.404 4.964 1.00 0.00 H new ATOM 0 HA SER A 41 10.282 3.994 5.138 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.169 5.278 4.862 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.500 4.473 6.267 1.00 0.00 H new ATOM 0 HG SER A 41 8.427 6.538 6.797 1.00 0.00 H new ATOM 695 N LYS A 42 10.658 3.306 7.556 1.00 0.00 N ATOM 696 CA LYS A 42 11.101 2.693 8.786 1.00 0.00 C ATOM 697 C LYS A 42 10.384 3.351 9.979 1.00 0.00 C ATOM 698 O LYS A 42 10.561 2.960 11.134 1.00 0.00 O ATOM 699 CB LYS A 42 12.625 2.883 8.872 1.00 0.00 C ATOM 700 CG LYS A 42 13.314 2.274 10.075 1.00 0.00 C ATOM 701 CD LYS A 42 14.803 2.559 10.024 1.00 0.00 C ATOM 702 CE LYS A 42 15.526 2.058 11.263 1.00 0.00 C ATOM 703 NZ LYS A 42 15.042 2.713 12.492 1.00 0.00 N ATOM 0 H LYS A 42 11.211 4.118 7.282 1.00 0.00 H new ATOM 0 HA LYS A 42 10.863 1.630 8.809 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.073 2.461 7.972 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.837 3.952 8.862 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.889 2.682 10.992 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.143 1.198 10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 42 15.231 2.087 9.140 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.962 3.632 9.921 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.390 0.980 11.350 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.596 2.237 11.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.707 2.527 13.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.972 3.739 12.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.105 2.336 12.740 1.00 0.00 H new ATOM 717 N ASN A 43 9.566 4.326 9.684 1.00 0.00 N ATOM 718 CA ASN A 43 8.864 5.061 10.715 1.00 0.00 C ATOM 719 C ASN A 43 7.418 4.655 10.780 1.00 0.00 C ATOM 720 O ASN A 43 6.828 4.258 9.770 1.00 0.00 O ATOM 721 CB ASN A 43 8.938 6.582 10.471 1.00 0.00 C ATOM 722 CG ASN A 43 10.329 7.161 10.625 1.00 0.00 C ATOM 723 OD1 ASN A 43 10.724 7.579 11.714 1.00 0.00 O ATOM 724 ND2 ASN A 43 11.074 7.218 9.551 1.00 0.00 N ATOM 0 H ASN A 43 9.365 4.635 8.733 1.00 0.00 H new ATOM 0 HA ASN A 43 9.354 4.823 11.659 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.575 6.797 9.466 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.267 7.085 11.167 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.011 7.617 9.601 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.718 6.863 8.664 1.00 0.00 H new ATOM 731 N ARG A 44 6.860 4.723 11.964 1.00 0.00 N ATOM 732 CA ARG A 44 5.452 4.531 12.166 1.00 0.00 C ATOM 733 C ARG A 44 4.841 5.915 12.359 1.00 0.00 C ATOM 734 O ARG A 44 4.926 6.483 13.454 1.00 0.00 O ATOM 735 CB ARG A 44 5.158 3.616 13.378 1.00 0.00 C ATOM 736 CG ARG A 44 5.808 2.240 13.277 1.00 0.00 C ATOM 737 CD ARG A 44 5.119 1.203 14.165 1.00 0.00 C ATOM 738 NE ARG A 44 5.165 1.505 15.596 1.00 0.00 N ATOM 739 CZ ARG A 44 4.816 0.640 16.568 1.00 0.00 C ATOM 740 NH1 ARG A 44 4.328 -0.564 16.260 1.00 0.00 N ATOM 741 NH2 ARG A 44 4.928 0.992 17.837 1.00 0.00 N ATOM 0 H ARG A 44 7.379 4.915 12.821 1.00 0.00 H new ATOM 0 HA ARG A 44 5.015 4.027 11.304 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.507 4.107 14.286 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.079 3.493 13.476 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.780 1.903 12.241 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.858 2.316 13.559 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.077 1.115 13.858 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.584 0.232 13.996 1.00 0.00 H new ATOM 0 HE ARG A 44 5.483 2.433 15.876 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.217 -0.835 15.283 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.066 -1.213 17.002 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.279 1.918 18.080 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.664 0.337 18.573 1.00 0.00 H new ATOM 755 N PRO A 45 4.302 6.519 11.279 1.00 0.00 N ATOM 756 CA PRO A 45 3.815 7.892 11.296 1.00 0.00 C ATOM 757 C PRO A 45 2.474 8.084 11.992 1.00 0.00 C ATOM 758 O PRO A 45 1.642 7.161 12.086 1.00 0.00 O ATOM 759 CB PRO A 45 3.684 8.264 9.805 1.00 0.00 C ATOM 760 CG PRO A 45 4.253 7.109 9.051 1.00 0.00 C ATOM 761 CD PRO A 45 4.125 5.926 9.950 1.00 0.00 C ATOM 0 HA PRO A 45 4.503 8.519 11.864 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.642 8.434 9.534 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.226 9.183 9.581 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.714 6.949 8.117 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.296 7.289 8.790 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.154 5.441 9.848 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.882 5.171 9.738 1.00 0.00 H new ATOM 769 N LYS A 46 2.304 9.285 12.493 1.00 0.00 N ATOM 770 CA LYS A 46 1.090 9.733 13.114 1.00 0.00 C ATOM 771 C LYS A 46 0.475 10.826 12.247 1.00 0.00 C ATOM 772 O LYS A 46 -0.706 10.782 11.908 1.00 0.00 O ATOM 773 CB LYS A 46 1.397 10.291 14.510 1.00 0.00 C ATOM 774 CG LYS A 46 0.186 10.824 15.255 1.00 0.00 C ATOM 775 CD LYS A 46 0.585 11.401 16.596 1.00 0.00 C ATOM 776 CE LYS A 46 -0.622 11.927 17.349 1.00 0.00 C ATOM 777 NZ LYS A 46 -0.264 12.462 18.681 1.00 0.00 N ATOM 0 H LYS A 46 3.034 9.997 12.477 1.00 0.00 H new ATOM 0 HA LYS A 46 0.394 8.900 13.213 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.859 9.505 15.108 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.130 11.092 14.414 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.305 11.591 14.656 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.538 10.022 15.401 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.082 10.635 17.191 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.304 12.207 16.449 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.100 12.711 16.762 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.352 11.126 17.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.121 12.809 19.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.169 11.709 19.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.412 13.244 18.571 1.00 0.00 H new ATOM 791 N ASN A 47 1.297 11.788 11.861 1.00 0.00 N ATOM 792 CA ASN A 47 0.844 12.931 11.069 1.00 0.00 C ATOM 793 C ASN A 47 0.843 12.625 9.594 1.00 0.00 C ATOM 794 O ASN A 47 1.686 13.125 8.832 1.00 0.00 O ATOM 795 CB ASN A 47 1.667 14.196 11.362 1.00 0.00 C ATOM 796 CG ASN A 47 1.363 14.794 12.716 1.00 0.00 C ATOM 797 OD1 ASN A 47 0.227 14.743 13.193 1.00 0.00 O ATOM 798 ND2 ASN A 47 2.365 15.335 13.363 1.00 0.00 N ATOM 0 H ASN A 47 2.292 11.804 12.084 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.185 13.128 11.370 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.728 13.954 11.307 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.469 14.939 10.589 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.218 15.731 14.291 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.292 15.360 12.938 1.00 0.00 H new ATOM 805 N ALA A 48 -0.043 11.743 9.223 1.00 0.00 N ATOM 806 CA ALA A 48 -0.274 11.322 7.869 1.00 0.00 C ATOM 807 C ALA A 48 -1.502 10.461 7.900 1.00 0.00 C ATOM 808 O ALA A 48 -1.917 10.028 8.983 1.00 0.00 O ATOM 809 CB ALA A 48 0.907 10.519 7.333 1.00 0.00 C ATOM 0 H ALA A 48 -0.655 11.274 9.891 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.398 12.185 7.215 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.704 10.214 6.307 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.806 11.134 7.357 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.056 9.634 7.952 1.00 0.00 H new ATOM 815 N ILE A 49 -2.101 10.230 6.778 1.00 0.00 N ATOM 816 CA ILE A 49 -3.249 9.373 6.730 1.00 0.00 C ATOM 817 C ILE A 49 -2.777 7.941 6.608 1.00 0.00 C ATOM 818 O ILE A 49 -2.031 7.595 5.676 1.00 0.00 O ATOM 819 CB ILE A 49 -4.214 9.725 5.555 1.00 0.00 C ATOM 820 CG1 ILE A 49 -4.726 11.183 5.667 1.00 0.00 C ATOM 821 CG2 ILE A 49 -5.392 8.744 5.502 1.00 0.00 C ATOM 822 CD1 ILE A 49 -5.494 11.497 6.943 1.00 0.00 C ATOM 0 H ILE A 49 -1.818 10.621 5.880 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.817 9.515 7.649 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.650 9.636 4.626 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.873 11.858 5.598 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.369 11.393 4.812 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.050 9.010 4.675 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.016 7.732 5.355 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.948 8.792 6.438 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.811 12.540 6.930 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.370 10.852 7.008 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.851 11.324 7.806 1.00 0.00 H new ATOM 834 N VAL A 50 -3.146 7.139 7.566 1.00 0.00 N ATOM 835 CA VAL A 50 -2.800 5.754 7.548 1.00 0.00 C ATOM 836 C VAL A 50 -4.028 4.933 7.185 1.00 0.00 C ATOM 837 O VAL A 50 -5.090 5.056 7.812 1.00 0.00 O ATOM 838 CB VAL A 50 -2.116 5.264 8.873 1.00 0.00 C ATOM 839 CG1 VAL A 50 -0.786 5.975 9.078 1.00 0.00 C ATOM 840 CG2 VAL A 50 -3.005 5.471 10.093 1.00 0.00 C ATOM 0 H VAL A 50 -3.693 7.429 8.377 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.039 5.607 6.782 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.946 4.193 8.766 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.324 5.624 10.001 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.126 5.761 8.238 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.954 7.050 9.142 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.488 5.117 10.985 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.231 6.532 10.202 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.933 4.913 9.966 1.00 0.00 H new ATOM 850 N ILE A 51 -3.909 4.168 6.137 1.00 0.00 N ATOM 851 CA ILE A 51 -5.023 3.397 5.622 1.00 0.00 C ATOM 852 C ILE A 51 -4.850 1.918 5.982 1.00 0.00 C ATOM 853 O ILE A 51 -3.735 1.398 5.977 1.00 0.00 O ATOM 854 CB ILE A 51 -5.153 3.566 4.070 1.00 0.00 C ATOM 855 CG1 ILE A 51 -5.262 5.057 3.698 1.00 0.00 C ATOM 856 CG2 ILE A 51 -6.367 2.807 3.534 1.00 0.00 C ATOM 857 CD1 ILE A 51 -5.355 5.323 2.205 1.00 0.00 C ATOM 0 H ILE A 51 -3.042 4.056 5.611 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.938 3.770 6.081 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.256 3.149 3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.141 5.478 4.186 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.394 5.583 4.096 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.433 2.942 2.454 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.262 1.746 3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.273 3.191 4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.429 6.396 2.031 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.465 4.935 1.710 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.239 4.828 1.802 1.00 0.00 H new ATOM 869 N LYS A 52 -5.942 1.274 6.303 1.00 0.00 N ATOM 870 CA LYS A 52 -5.964 -0.126 6.681 1.00 0.00 C ATOM 871 C LYS A 52 -5.858 -0.998 5.420 1.00 0.00 C ATOM 872 O LYS A 52 -6.454 -0.658 4.394 1.00 0.00 O ATOM 873 CB LYS A 52 -7.287 -0.405 7.386 1.00 0.00 C ATOM 874 CG LYS A 52 -7.432 -1.791 7.996 1.00 0.00 C ATOM 875 CD LYS A 52 -8.852 -2.018 8.508 1.00 0.00 C ATOM 876 CE LYS A 52 -9.275 -0.951 9.513 1.00 0.00 C ATOM 877 NZ LYS A 52 -10.671 -1.128 9.951 1.00 0.00 N ATOM 0 H LYS A 52 -6.863 1.712 6.311 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.128 -0.355 7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.419 0.335 8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.096 -0.257 6.671 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.185 -2.548 7.251 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.723 -1.907 8.816 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.545 -2.018 7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.916 -3.001 8.974 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.616 -0.988 10.380 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.158 0.036 9.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.918 -0.383 10.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.304 -1.067 9.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.778 -2.059 10.402 1.00 0.00 H new ATOM 891 N MET A 53 -5.140 -2.136 5.522 1.00 0.00 N ATOM 892 CA MET A 53 -4.911 -3.068 4.377 1.00 0.00 C ATOM 893 C MET A 53 -6.210 -3.429 3.673 1.00 0.00 C ATOM 894 O MET A 53 -6.296 -3.400 2.453 1.00 0.00 O ATOM 895 CB MET A 53 -4.266 -4.391 4.837 1.00 0.00 C ATOM 896 CG MET A 53 -2.874 -4.299 5.431 1.00 0.00 C ATOM 897 SD MET A 53 -2.246 -5.938 5.887 1.00 0.00 S ATOM 898 CE MET A 53 -0.669 -5.517 6.611 1.00 0.00 C ATOM 0 H MET A 53 -4.701 -2.441 6.391 1.00 0.00 H new ATOM 0 HA MET A 53 -4.246 -2.536 3.697 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.922 -4.850 5.577 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.227 -5.066 3.982 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.199 -3.835 4.712 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.893 -3.656 6.311 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.354 -6.314 7.285 1.00 0.00 H new ATOM 0 HE2 MET A 53 0.073 -5.395 5.822 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.762 -4.585 7.169 1.00 0.00 H new ATOM 908 N ASP A 54 -7.220 -3.717 4.478 1.00 0.00 N ATOM 909 CA ASP A 54 -8.545 -4.184 4.024 1.00 0.00 C ATOM 910 C ASP A 54 -9.231 -3.212 3.044 1.00 0.00 C ATOM 911 O ASP A 54 -10.093 -3.610 2.261 1.00 0.00 O ATOM 912 CB ASP A 54 -9.444 -4.442 5.252 1.00 0.00 C ATOM 913 CG ASP A 54 -10.819 -4.991 4.912 1.00 0.00 C ATOM 914 OD1 ASP A 54 -10.932 -6.187 4.565 1.00 0.00 O ATOM 915 OD2 ASP A 54 -11.822 -4.262 5.037 1.00 0.00 O ATOM 0 H ASP A 54 -7.152 -3.635 5.492 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.391 -5.110 3.469 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.939 -5.143 5.917 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.564 -3.509 5.803 1.00 0.00 H new ATOM 920 N ASN A 55 -8.835 -1.955 3.074 1.00 0.00 N ATOM 921 CA ASN A 55 -9.431 -0.943 2.203 1.00 0.00 C ATOM 922 C ASN A 55 -8.879 -1.054 0.781 1.00 0.00 C ATOM 923 O ASN A 55 -9.594 -0.818 -0.204 1.00 0.00 O ATOM 924 CB ASN A 55 -9.165 0.474 2.756 1.00 0.00 C ATOM 925 CG ASN A 55 -9.766 1.585 1.894 1.00 0.00 C ATOM 926 OD1 ASN A 55 -10.904 1.993 2.094 1.00 0.00 O ATOM 927 ND2 ASN A 55 -9.008 2.088 0.947 1.00 0.00 N ATOM 0 H ASN A 55 -8.103 -1.603 3.690 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.507 -1.118 2.176 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.574 0.545 3.764 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.089 0.629 2.836 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.363 2.839 0.355 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.064 1.728 0.804 1.00 0.00 H new ATOM 934 N LEU A 56 -7.637 -1.464 0.680 1.00 0.00 N ATOM 935 CA LEU A 56 -6.933 -1.488 -0.588 1.00 0.00 C ATOM 936 C LEU A 56 -7.385 -2.638 -1.465 1.00 0.00 C ATOM 937 O LEU A 56 -7.761 -3.707 -0.963 1.00 0.00 O ATOM 938 CB LEU A 56 -5.393 -1.536 -0.402 1.00 0.00 C ATOM 939 CG LEU A 56 -4.696 -0.265 0.128 1.00 0.00 C ATOM 940 CD1 LEU A 56 -4.961 0.936 -0.773 1.00 0.00 C ATOM 941 CD2 LEU A 56 -5.093 0.032 1.558 1.00 0.00 C ATOM 0 H LEU A 56 -7.083 -1.791 1.472 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.185 -0.554 -1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.163 -2.354 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.946 -1.787 -1.364 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.623 -0.459 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.455 1.813 -0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.585 0.729 -1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.033 1.126 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.583 0.934 1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.171 0.183 1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.811 -0.806 2.195 1.00 0.00 H new ATOM 953 N PRO A 57 -7.399 -2.429 -2.796 1.00 0.00 N ATOM 954 CA PRO A 57 -7.736 -3.470 -3.747 1.00 0.00 C ATOM 955 C PRO A 57 -6.767 -4.650 -3.655 1.00 0.00 C ATOM 956 O PRO A 57 -5.584 -4.488 -3.275 1.00 0.00 O ATOM 957 CB PRO A 57 -7.606 -2.790 -5.107 1.00 0.00 C ATOM 958 CG PRO A 57 -7.726 -1.342 -4.824 1.00 0.00 C ATOM 959 CD PRO A 57 -7.120 -1.146 -3.474 1.00 0.00 C ATOM 0 HA PRO A 57 -8.729 -3.880 -3.564 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.649 -3.023 -5.575 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.385 -3.124 -5.792 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.205 -0.751 -5.577 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.769 -1.025 -4.835 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.050 -0.947 -3.537 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.571 -0.305 -2.947 1.00 0.00 H new ATOM 967 N ILE A 58 -7.249 -5.813 -4.031 1.00 0.00 N ATOM 968 CA ILE A 58 -6.493 -7.048 -3.941 1.00 0.00 C ATOM 969 C ILE A 58 -5.190 -7.038 -4.746 1.00 0.00 C ATOM 970 O ILE A 58 -4.222 -7.700 -4.372 1.00 0.00 O ATOM 971 CB ILE A 58 -7.378 -8.310 -4.233 1.00 0.00 C ATOM 972 CG1 ILE A 58 -8.146 -8.241 -5.588 1.00 0.00 C ATOM 973 CG2 ILE A 58 -8.360 -8.517 -3.096 1.00 0.00 C ATOM 974 CD1 ILE A 58 -7.312 -8.453 -6.839 1.00 0.00 C ATOM 0 H ILE A 58 -8.187 -5.932 -4.413 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.178 -7.120 -2.900 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.694 -9.155 -4.312 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.938 -8.990 -5.572 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.630 -7.267 -5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.974 -9.394 -3.301 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.813 -8.666 -2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -9.000 -7.640 -3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.952 -8.383 -7.719 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.536 -7.689 -6.893 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.849 -9.439 -6.805 1.00 0.00 H new ATOM 986 N GLU A 59 -5.155 -6.244 -5.808 1.00 0.00 N ATOM 987 CA GLU A 59 -3.978 -6.145 -6.645 1.00 0.00 C ATOM 988 C GLU A 59 -2.861 -5.382 -5.933 1.00 0.00 C ATOM 989 O GLU A 59 -1.677 -5.727 -6.055 1.00 0.00 O ATOM 990 CB GLU A 59 -4.303 -5.487 -7.983 1.00 0.00 C ATOM 991 CG GLU A 59 -4.837 -4.065 -7.887 1.00 0.00 C ATOM 992 CD GLU A 59 -5.010 -3.429 -9.238 1.00 0.00 C ATOM 993 OE1 GLU A 59 -4.054 -2.811 -9.746 1.00 0.00 O ATOM 994 OE2 GLU A 59 -6.099 -3.538 -9.824 1.00 0.00 O ATOM 0 H GLU A 59 -5.935 -5.659 -6.107 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.631 -7.159 -6.842 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.402 -5.480 -8.596 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.038 -6.101 -8.504 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.795 -4.073 -7.366 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.154 -3.462 -7.289 1.00 0.00 H new ATOM 1001 N VAL A 60 -3.252 -4.376 -5.162 1.00 0.00 N ATOM 1002 CA VAL A 60 -2.314 -3.543 -4.445 1.00 0.00 C ATOM 1003 C VAL A 60 -1.715 -4.351 -3.316 1.00 0.00 C ATOM 1004 O VAL A 60 -0.500 -4.421 -3.171 1.00 0.00 O ATOM 1005 CB VAL A 60 -3.002 -2.268 -3.875 1.00 0.00 C ATOM 1006 CG1 VAL A 60 -1.997 -1.366 -3.165 1.00 0.00 C ATOM 1007 CG2 VAL A 60 -3.715 -1.502 -4.979 1.00 0.00 C ATOM 0 H VAL A 60 -4.229 -4.120 -5.020 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.536 -3.216 -5.135 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.741 -2.591 -3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.509 -0.485 -2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.539 -1.911 -2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.224 -1.057 -3.869 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.189 -0.615 -4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.993 -1.202 -5.739 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.475 -2.139 -5.432 1.00 0.00 H new ATOM 1017 N LYS A 61 -2.584 -5.032 -2.571 1.00 0.00 N ATOM 1018 CA LYS A 61 -2.158 -5.850 -1.436 1.00 0.00 C ATOM 1019 C LYS A 61 -1.244 -6.980 -1.882 1.00 0.00 C ATOM 1020 O LYS A 61 -0.354 -7.396 -1.139 1.00 0.00 O ATOM 1021 CB LYS A 61 -3.347 -6.411 -0.670 1.00 0.00 C ATOM 1022 CG LYS A 61 -4.277 -5.352 -0.103 1.00 0.00 C ATOM 1023 CD LYS A 61 -5.307 -5.962 0.838 1.00 0.00 C ATOM 1024 CE LYS A 61 -6.185 -6.995 0.154 1.00 0.00 C ATOM 1025 NZ LYS A 61 -7.116 -7.623 1.108 1.00 0.00 N ATOM 0 H LYS A 61 -3.591 -5.033 -2.734 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.600 -5.196 -0.766 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.917 -7.063 -1.332 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.979 -7.031 0.148 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.694 -4.602 0.431 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.786 -4.839 -0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.794 -6.427 1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.935 -5.170 1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.749 -6.521 -0.649 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.559 -7.761 -0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.702 -8.324 0.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.576 -8.095 1.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.728 -6.894 1.526 1.00 0.00 H new ATOM 1039 N ASP A 62 -1.464 -7.463 -3.093 1.00 0.00 N ATOM 1040 CA ASP A 62 -0.614 -8.485 -3.690 1.00 0.00 C ATOM 1041 C ASP A 62 0.804 -7.972 -3.843 1.00 0.00 C ATOM 1042 O ASP A 62 1.756 -8.612 -3.392 1.00 0.00 O ATOM 1043 CB ASP A 62 -1.168 -8.925 -5.048 1.00 0.00 C ATOM 1044 CG ASP A 62 -0.194 -9.766 -5.851 1.00 0.00 C ATOM 1045 OD1 ASP A 62 0.187 -10.877 -5.408 1.00 0.00 O ATOM 1046 OD2 ASP A 62 0.169 -9.351 -6.977 1.00 0.00 O ATOM 0 H ASP A 62 -2.234 -7.161 -3.690 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.603 -9.349 -3.026 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.085 -9.494 -4.891 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.436 -8.041 -5.627 1.00 0.00 H new ATOM 1051 N LYS A 63 0.936 -6.785 -4.422 1.00 0.00 N ATOM 1052 CA LYS A 63 2.246 -6.182 -4.634 1.00 0.00 C ATOM 1053 C LYS A 63 2.904 -5.855 -3.299 1.00 0.00 C ATOM 1054 O LYS A 63 4.100 -6.082 -3.117 1.00 0.00 O ATOM 1055 CB LYS A 63 2.151 -4.921 -5.499 1.00 0.00 C ATOM 1056 CG LYS A 63 1.480 -5.146 -6.849 1.00 0.00 C ATOM 1057 CD LYS A 63 1.614 -3.946 -7.790 1.00 0.00 C ATOM 1058 CE LYS A 63 2.954 -3.927 -8.559 1.00 0.00 C ATOM 1059 NZ LYS A 63 4.158 -3.785 -7.701 1.00 0.00 N ATOM 0 H LYS A 63 0.153 -6.221 -4.753 1.00 0.00 H new ATOM 0 HA LYS A 63 2.861 -6.908 -5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.597 -4.158 -4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.155 -4.529 -5.664 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.917 -6.024 -7.324 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.423 -5.362 -6.692 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.791 -3.959 -8.505 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.520 -3.026 -7.212 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.041 -4.849 -9.134 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.935 -3.105 -9.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.007 -3.730 -8.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.079 -2.918 -7.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.233 -4.607 -7.069 1.00 0.00 H new ATOM 1073 N LEU A 64 2.099 -5.363 -2.364 1.00 0.00 N ATOM 1074 CA LEU A 64 2.564 -5.039 -1.023 1.00 0.00 C ATOM 1075 C LEU A 64 3.136 -6.287 -0.342 1.00 0.00 C ATOM 1076 O LEU A 64 4.247 -6.261 0.230 1.00 0.00 O ATOM 1077 CB LEU A 64 1.417 -4.470 -0.170 1.00 0.00 C ATOM 1078 CG LEU A 64 0.735 -3.185 -0.671 1.00 0.00 C ATOM 1079 CD1 LEU A 64 -0.343 -2.739 0.303 1.00 0.00 C ATOM 1080 CD2 LEU A 64 1.745 -2.071 -0.888 1.00 0.00 C ATOM 0 H LEU A 64 1.107 -5.178 -2.515 1.00 0.00 H new ATOM 0 HA LEU A 64 3.346 -4.285 -1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.653 -5.242 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.804 -4.278 0.831 1.00 0.00 H new ATOM 0 HG LEU A 64 0.270 -3.408 -1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.814 -1.829 -0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.094 -3.523 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.105 -2.545 1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.231 -1.177 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.251 -1.850 0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.479 -2.385 -1.630 1.00 0.00 H new ATOM 1092 N THR A 65 2.402 -7.379 -0.440 1.00 0.00 N ATOM 1093 CA THR A 65 2.807 -8.616 0.160 1.00 0.00 C ATOM 1094 C THR A 65 4.107 -9.140 -0.463 1.00 0.00 C ATOM 1095 O THR A 65 5.042 -9.480 0.260 1.00 0.00 O ATOM 1096 CB THR A 65 1.688 -9.686 0.076 1.00 0.00 C ATOM 1097 OG1 THR A 65 0.497 -9.176 0.704 1.00 0.00 O ATOM 1098 CG2 THR A 65 2.107 -10.974 0.777 1.00 0.00 C ATOM 0 H THR A 65 1.513 -7.424 -0.938 1.00 0.00 H new ATOM 0 HA THR A 65 2.995 -8.414 1.214 1.00 0.00 H new ATOM 0 HB THR A 65 1.501 -9.907 -0.975 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.024 -8.588 0.079 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.303 -11.707 0.703 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.005 -11.371 0.303 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.313 -10.766 1.827 1.00 0.00 H new ATOM 1106 N ARG A 66 4.190 -9.125 -1.788 1.00 0.00 N ATOM 1107 CA ARG A 66 5.360 -9.662 -2.500 1.00 0.00 C ATOM 1108 C ARG A 66 6.618 -8.833 -2.255 1.00 0.00 C ATOM 1109 O ARG A 66 7.731 -9.323 -2.421 1.00 0.00 O ATOM 1110 CB ARG A 66 5.120 -9.718 -4.009 1.00 0.00 C ATOM 1111 CG ARG A 66 3.955 -10.571 -4.458 1.00 0.00 C ATOM 1112 CD ARG A 66 3.861 -10.560 -5.967 1.00 0.00 C ATOM 1113 NE ARG A 66 2.678 -11.257 -6.469 1.00 0.00 N ATOM 1114 CZ ARG A 66 2.635 -11.996 -7.578 1.00 0.00 C ATOM 1115 NH1 ARG A 66 3.759 -12.293 -8.239 1.00 0.00 N ATOM 1116 NH2 ARG A 66 1.473 -12.463 -8.005 1.00 0.00 N ATOM 0 H ARG A 66 3.464 -8.748 -2.398 1.00 0.00 H new ATOM 0 HA ARG A 66 5.508 -10.667 -2.105 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.963 -8.702 -4.371 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.025 -10.091 -4.488 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.082 -11.593 -4.100 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.029 -10.194 -4.024 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.844 -9.528 -6.317 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.754 -11.024 -6.385 1.00 0.00 H new ATOM 0 HE ARG A 66 1.817 -11.171 -5.928 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.657 -11.954 -7.895 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.718 -12.859 -9.087 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.619 -12.257 -7.487 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.431 -13.029 -8.852 1.00 0.00 H new ATOM 1130 N PHE A 67 6.449 -7.588 -1.888 1.00 0.00 N ATOM 1131 CA PHE A 67 7.582 -6.709 -1.736 1.00 0.00 C ATOM 1132 C PHE A 67 8.158 -6.726 -0.328 1.00 0.00 C ATOM 1133 O PHE A 67 9.352 -6.968 -0.137 1.00 0.00 O ATOM 1134 CB PHE A 67 7.204 -5.285 -2.130 1.00 0.00 C ATOM 1135 CG PHE A 67 8.370 -4.335 -2.227 1.00 0.00 C ATOM 1136 CD1 PHE A 67 9.098 -4.255 -3.394 1.00 0.00 C ATOM 1137 CD2 PHE A 67 8.730 -3.519 -1.164 1.00 0.00 C ATOM 1138 CE1 PHE A 67 10.155 -3.388 -3.506 1.00 0.00 C ATOM 1139 CE2 PHE A 67 9.788 -2.651 -1.272 1.00 0.00 C ATOM 1140 CZ PHE A 67 10.503 -2.584 -2.444 1.00 0.00 C ATOM 0 H PHE A 67 5.544 -7.161 -1.690 1.00 0.00 H new ATOM 0 HA PHE A 67 8.360 -7.081 -2.403 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.691 -5.311 -3.092 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.494 -4.896 -1.401 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.833 -4.883 -4.232 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.171 -3.567 -0.241 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.715 -3.336 -4.428 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.058 -2.021 -0.437 1.00 0.00 H new ATOM 0 HZ PHE A 67 11.336 -1.902 -2.532 1.00 0.00 H new ATOM 1150 N PHE A 68 7.343 -6.459 0.660 1.00 0.00 N ATOM 1151 CA PHE A 68 7.886 -6.290 2.000 1.00 0.00 C ATOM 1152 C PHE A 68 7.357 -7.267 3.036 1.00 0.00 C ATOM 1153 O PHE A 68 7.991 -7.458 4.076 1.00 0.00 O ATOM 1154 CB PHE A 68 7.678 -4.847 2.485 1.00 0.00 C ATOM 1155 CG PHE A 68 6.241 -4.386 2.459 1.00 0.00 C ATOM 1156 CD1 PHE A 68 5.355 -4.772 3.450 1.00 0.00 C ATOM 1157 CD2 PHE A 68 5.780 -3.577 1.440 1.00 0.00 C ATOM 1158 CE1 PHE A 68 4.051 -4.359 3.425 1.00 0.00 C ATOM 1159 CE2 PHE A 68 4.477 -3.159 1.416 1.00 0.00 C ATOM 1160 CZ PHE A 68 3.608 -3.552 2.409 1.00 0.00 C ATOM 0 H PHE A 68 6.332 -6.355 0.577 1.00 0.00 H new ATOM 0 HA PHE A 68 8.949 -6.513 1.904 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.057 -4.760 3.503 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.274 -4.178 1.864 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.698 -5.407 4.253 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.454 -3.271 0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.371 -4.668 4.205 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.130 -2.520 0.617 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.579 -3.225 2.388 1.00 0.00 H new ATOM 1170 N LEU A 69 6.226 -7.870 2.786 1.00 0.00 N ATOM 1171 CA LEU A 69 5.590 -8.668 3.820 1.00 0.00 C ATOM 1172 C LEU A 69 6.028 -10.122 3.723 1.00 0.00 C ATOM 1173 O LEU A 69 6.536 -10.698 4.699 1.00 0.00 O ATOM 1174 CB LEU A 69 4.064 -8.551 3.704 1.00 0.00 C ATOM 1175 CG LEU A 69 3.244 -9.035 4.904 1.00 0.00 C ATOM 1176 CD1 LEU A 69 3.506 -8.158 6.128 1.00 0.00 C ATOM 1177 CD2 LEU A 69 1.762 -9.041 4.565 1.00 0.00 C ATOM 0 H LEU A 69 5.728 -7.831 1.897 1.00 0.00 H new ATOM 0 HA LEU A 69 5.898 -8.290 4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.816 -7.505 3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.745 -9.112 2.826 1.00 0.00 H new ATOM 0 HG LEU A 69 3.552 -10.053 5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.913 -8.520 6.968 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.564 -8.200 6.386 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.227 -7.128 5.904 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.193 -9.387 5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.445 -8.032 4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.584 -9.708 3.722 1.00 0.00 H new