USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 646 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 63 HIS : no HE2:sc= 1.19 K(o=0.51,f=-6!) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.683 K(o=0.51,f=-1.2!) USER MOD Set 2.1: A 54 LYS NZ :NH3+ 169:sc= 0.475! (180deg=-0.755!) USER MOD Set 2.2: A 88 TYR OH : rot 30:sc= 0.886 USER MOD Set 3.1: A 41 THR OG1 : rot 150:sc= 0 USER MOD Set 3.2: A 75 CYS SG : rot -120:sc= -3.06! USER MOD Single : A 7 LYS NZ :NH3+ 175:sc= 1.2 (180deg=1.11) USER MOD Single : A 8 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.28) USER MOD Single : A 11 ASN : amide:sc= -2.4! C(o=-2.4!,f=-2.6!) USER MOD Single : A 12 LYS NZ :NH3+ 172:sc= 0.62 (180deg=0.573) USER MOD Single : A 14 TYR OH : rot 49:sc= 0.777 USER MOD Single : A 20 ASN : amide:sc= 1.14 K(o=1.1,f=-0.012) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 27 THR OG1 : rot 141:sc= 1.2 USER MOD Single : A 28 TYR OH : rot -61:sc= 0.467 USER MOD Single : A 33 ASN : amide:sc= -0.814 K(o=-0.81,f=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -1.96 X(o=-2,f=-1.7) USER MOD Single : A 40 HIS : no HD1:sc= 1.04 K(o=1,f=-4.2!) USER MOD Single : A 44 SER OG : rot 82:sc= 0.989 USER MOD Single : A 55 LYS NZ :NH3+ 151:sc= -1.7! (180deg=-3.6!) USER MOD Single : A 58 LYS NZ :NH3+ -122:sc= -0.0727 (180deg=-0.172) USER MOD Single : A 68 ASN : amide:sc= -2.14! K(o=-2.1!,f=-0.076) USER MOD Single : A 70 LYS NZ :NH3+ -172:sc= 1.3 (180deg=1.15) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0612) USER MOD Single : A 80 HIS : no HE2:sc= 1.13 K(o=1.1,f=-5.8!) USER MOD Single : A 81 MET CE :methyl 139:sc= -0.179 (180deg=-0.807) USER MOD Single : A 84 LYS NZ :NH3+ -170:sc= 0.175 (180deg=0.031) USER MOD Single : A 87 SER OG : rot -29:sc= 0.166 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N GLU A 5 16.237 1.462 -5.968 1.00 0.00 N ATOM 65 CA GLU A 5 15.718 0.192 -6.446 1.00 0.00 C ATOM 66 C GLU A 5 14.414 -0.184 -5.756 1.00 0.00 C ATOM 67 O GLU A 5 14.297 -0.113 -4.529 1.00 0.00 O ATOM 68 CB GLU A 5 16.742 -0.927 -6.221 1.00 0.00 C ATOM 69 CG GLU A 5 18.042 -0.781 -7.007 1.00 0.00 C ATOM 70 CD GLU A 5 18.932 0.345 -6.511 1.00 0.00 C ATOM 71 OE1 GLU A 5 18.810 0.735 -5.326 1.00 0.00 O ATOM 72 OE2 GLU A 5 19.748 0.851 -7.311 1.00 0.00 O ATOM 0 HA GLU A 5 15.525 0.310 -7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 5 16.981 -0.972 -5.158 1.00 0.00 H new ATOM 0 HB3 GLU A 5 16.281 -1.879 -6.484 1.00 0.00 H new ATOM 0 HG2 GLU A 5 18.595 -1.719 -6.955 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.804 -0.609 -8.057 1.00 0.00 H new ATOM 79 N ILE A 6 13.440 -0.586 -6.558 1.00 0.00 N ATOM 80 CA ILE A 6 12.195 -1.114 -6.041 1.00 0.00 C ATOM 81 C ILE A 6 12.426 -2.531 -5.536 1.00 0.00 C ATOM 82 O ILE A 6 12.663 -3.449 -6.323 1.00 0.00 O ATOM 83 CB ILE A 6 11.089 -1.127 -7.120 1.00 0.00 C ATOM 84 CG1 ILE A 6 10.868 0.283 -7.672 1.00 0.00 C ATOM 85 CG2 ILE A 6 9.796 -1.687 -6.544 1.00 0.00 C ATOM 86 CD1 ILE A 6 9.824 0.356 -8.767 1.00 0.00 C ATOM 0 H ILE A 6 13.493 -0.555 -7.576 1.00 0.00 H new ATOM 0 HA ILE A 6 11.863 -0.468 -5.228 1.00 0.00 H new ATOM 0 HB ILE A 6 11.407 -1.771 -7.940 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.570 0.940 -6.855 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.813 0.664 -8.059 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.026 -1.690 -7.315 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.964 -2.706 -6.195 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.471 -1.066 -5.709 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.724 1.387 -9.107 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.129 -0.274 -9.603 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.866 0.007 -8.381 1.00 0.00 H new ATOM 98 N LYS A 7 12.400 -2.697 -4.227 1.00 0.00 N ATOM 99 CA LYS A 7 12.655 -3.992 -3.626 1.00 0.00 C ATOM 100 C LYS A 7 11.373 -4.803 -3.552 1.00 0.00 C ATOM 101 O LYS A 7 10.327 -4.296 -3.131 1.00 0.00 O ATOM 102 CB LYS A 7 13.264 -3.822 -2.233 1.00 0.00 C ATOM 103 CG LYS A 7 14.549 -3.008 -2.229 1.00 0.00 C ATOM 104 CD LYS A 7 15.663 -3.710 -2.995 1.00 0.00 C ATOM 105 CE LYS A 7 16.862 -2.798 -3.200 1.00 0.00 C ATOM 106 NZ LYS A 7 17.395 -2.283 -1.915 1.00 0.00 N ATOM 0 H LYS A 7 12.205 -1.951 -3.560 1.00 0.00 H new ATOM 0 HA LYS A 7 13.368 -4.531 -4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.535 -3.339 -1.583 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.465 -4.806 -1.810 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.362 -2.030 -2.673 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.867 -2.835 -1.201 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.973 -4.602 -2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.287 -4.041 -3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.646 -3.343 -3.725 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.576 -1.960 -3.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.261 -1.735 -2.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.685 -1.671 -1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.614 -3.081 -1.285 1.00 0.00 H new ATOM 120 N GLN A 8 11.459 -6.057 -3.975 1.00 0.00 N ATOM 121 CA GLN A 8 10.313 -6.953 -3.982 1.00 0.00 C ATOM 122 C GLN A 8 9.874 -7.286 -2.566 1.00 0.00 C ATOM 123 O GLN A 8 10.705 -7.484 -1.674 1.00 0.00 O ATOM 124 CB GLN A 8 10.638 -8.248 -4.739 1.00 0.00 C ATOM 125 CG GLN A 8 10.494 -8.153 -6.254 1.00 0.00 C ATOM 126 CD GLN A 8 11.261 -7.000 -6.865 1.00 0.00 C ATOM 127 OE1 GLN A 8 10.729 -5.908 -7.039 1.00 0.00 O ATOM 128 NE2 GLN A 8 12.524 -7.234 -7.182 1.00 0.00 N ATOM 0 H GLN A 8 12.321 -6.479 -4.321 1.00 0.00 H new ATOM 0 HA GLN A 8 9.497 -6.440 -4.491 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.660 -8.544 -4.503 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.984 -9.040 -4.374 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.838 -9.085 -6.702 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.438 -8.049 -6.504 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.928 -8.157 -7.021 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.094 -6.492 -7.588 1.00 0.00 H new ATOM 137 N GLY A 9 8.570 -7.329 -2.371 1.00 0.00 N ATOM 138 CA GLY A 9 8.014 -7.690 -1.087 1.00 0.00 C ATOM 139 C GLY A 9 6.649 -8.315 -1.244 1.00 0.00 C ATOM 140 O GLY A 9 6.017 -8.163 -2.291 1.00 0.00 O ATOM 0 H GLY A 9 7.877 -7.117 -3.089 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.681 -8.388 -0.581 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.942 -6.804 -0.456 1.00 0.00 H new ATOM 144 N GLU A 10 6.189 -9.003 -0.210 1.00 0.00 N ATOM 145 CA GLU A 10 4.915 -9.705 -0.256 1.00 0.00 C ATOM 146 C GLU A 10 3.764 -8.705 -0.386 1.00 0.00 C ATOM 147 O GLU A 10 3.311 -8.123 0.602 1.00 0.00 O ATOM 148 CB GLU A 10 4.767 -10.585 0.995 1.00 0.00 C ATOM 149 CG GLU A 10 3.615 -11.583 0.952 1.00 0.00 C ATOM 150 CD GLU A 10 2.295 -10.984 1.385 1.00 0.00 C ATOM 151 OE1 GLU A 10 2.243 -10.377 2.475 1.00 0.00 O ATOM 152 OE2 GLU A 10 1.297 -11.134 0.655 1.00 0.00 O ATOM 0 H GLU A 10 6.683 -9.090 0.678 1.00 0.00 H new ATOM 0 HA GLU A 10 4.884 -10.353 -1.132 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.697 -11.133 1.146 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.634 -9.938 1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.516 -11.971 -0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.852 -12.430 1.596 1.00 0.00 H new ATOM 159 N ASN A 11 3.349 -8.474 -1.634 1.00 0.00 N ATOM 160 CA ASN A 11 2.247 -7.566 -1.959 1.00 0.00 C ATOM 161 C ASN A 11 2.525 -6.132 -1.512 1.00 0.00 C ATOM 162 O ASN A 11 1.604 -5.329 -1.351 1.00 0.00 O ATOM 163 CB ASN A 11 0.932 -8.087 -1.377 1.00 0.00 C ATOM 164 CG ASN A 11 0.352 -9.204 -2.221 1.00 0.00 C ATOM 165 OD1 ASN A 11 0.456 -9.188 -3.447 1.00 0.00 O ATOM 166 ND2 ASN A 11 -0.232 -10.192 -1.572 1.00 0.00 N ATOM 0 H ASN A 11 3.771 -8.914 -2.452 1.00 0.00 H new ATOM 0 HA ASN A 11 2.156 -7.539 -3.045 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.100 -8.447 -0.362 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.214 -7.270 -1.311 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.619 -10.983 -2.088 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.297 -10.166 -0.554 1.00 0.00 H new ATOM 173 N LYS A 12 3.804 -5.804 -1.355 1.00 0.00 N ATOM 174 CA LYS A 12 4.208 -4.436 -1.065 1.00 0.00 C ATOM 175 C LYS A 12 5.567 -4.139 -1.685 1.00 0.00 C ATOM 176 O LYS A 12 6.525 -4.890 -1.500 1.00 0.00 O ATOM 177 CB LYS A 12 4.234 -4.158 0.450 1.00 0.00 C ATOM 178 CG LYS A 12 5.233 -4.992 1.248 1.00 0.00 C ATOM 179 CD LYS A 12 5.268 -4.549 2.706 1.00 0.00 C ATOM 180 CE LYS A 12 6.236 -5.373 3.547 1.00 0.00 C ATOM 181 NZ LYS A 12 7.649 -5.219 3.104 1.00 0.00 N ATOM 0 H LYS A 12 4.576 -6.467 -1.424 1.00 0.00 H new ATOM 0 HA LYS A 12 3.465 -3.773 -1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.460 -3.103 0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.236 -4.333 0.852 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.961 -6.046 1.190 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.226 -4.894 0.810 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.553 -3.498 2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.267 -4.628 3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.151 -5.073 4.591 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.954 -6.425 3.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.280 -5.687 3.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.768 -5.654 2.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.888 -4.208 3.050 1.00 0.00 H new ATOM 195 N PHE A 13 5.635 -3.057 -2.444 1.00 0.00 N ATOM 196 CA PHE A 13 6.891 -2.611 -3.026 1.00 0.00 C ATOM 197 C PHE A 13 7.471 -1.496 -2.175 1.00 0.00 C ATOM 198 O PHE A 13 6.741 -0.615 -1.720 1.00 0.00 O ATOM 199 CB PHE A 13 6.695 -2.118 -4.465 1.00 0.00 C ATOM 200 CG PHE A 13 6.426 -3.211 -5.461 1.00 0.00 C ATOM 201 CD1 PHE A 13 7.221 -4.344 -5.494 1.00 0.00 C ATOM 202 CD2 PHE A 13 5.382 -3.099 -6.364 1.00 0.00 C ATOM 203 CE1 PHE A 13 6.981 -5.349 -6.409 1.00 0.00 C ATOM 204 CE2 PHE A 13 5.135 -4.102 -7.283 1.00 0.00 C ATOM 205 CZ PHE A 13 5.936 -5.229 -7.305 1.00 0.00 C ATOM 0 H PHE A 13 4.833 -2.470 -2.672 1.00 0.00 H new ATOM 0 HA PHE A 13 7.578 -3.457 -3.051 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.865 -1.412 -4.485 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.586 -1.572 -4.774 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.039 -4.443 -4.795 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.755 -2.220 -6.350 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.609 -6.228 -6.425 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.318 -4.005 -7.983 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.745 -6.014 -8.021 1.00 0.00 H new ATOM 215 N TYR A 14 8.771 -1.531 -1.943 1.00 0.00 N ATOM 216 CA TYR A 14 9.397 -0.532 -1.097 1.00 0.00 C ATOM 217 C TYR A 14 10.743 -0.089 -1.651 1.00 0.00 C ATOM 218 O TYR A 14 11.582 -0.908 -2.028 1.00 0.00 O ATOM 219 CB TYR A 14 9.543 -1.055 0.343 1.00 0.00 C ATOM 220 CG TYR A 14 10.121 -2.452 0.455 1.00 0.00 C ATOM 221 CD1 TYR A 14 9.323 -3.568 0.247 1.00 0.00 C ATOM 222 CD2 TYR A 14 11.459 -2.654 0.774 1.00 0.00 C ATOM 223 CE1 TYR A 14 9.836 -4.843 0.350 1.00 0.00 C ATOM 224 CE2 TYR A 14 11.980 -3.930 0.879 1.00 0.00 C ATOM 225 CZ TYR A 14 11.163 -5.023 0.665 1.00 0.00 C ATOM 226 OH TYR A 14 11.672 -6.298 0.761 1.00 0.00 O ATOM 0 H TYR A 14 9.407 -2.232 -2.324 1.00 0.00 H new ATOM 0 HA TYR A 14 8.747 0.343 -1.083 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.178 -0.368 0.902 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.563 -1.043 0.820 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.280 -3.435 -0.000 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.101 -1.802 0.942 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.198 -5.698 0.184 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.021 -4.072 1.127 1.00 0.00 H new ATOM 0 HH TYR A 14 11.406 -6.817 -0.027 1.00 0.00 H new ATOM 236 N ILE A 15 10.919 1.221 -1.729 1.00 0.00 N ATOM 237 CA ILE A 15 12.188 1.804 -2.109 1.00 0.00 C ATOM 238 C ILE A 15 13.009 2.090 -0.861 1.00 0.00 C ATOM 239 O ILE A 15 12.636 2.929 -0.029 1.00 0.00 O ATOM 240 CB ILE A 15 12.003 3.103 -2.925 1.00 0.00 C ATOM 241 CG1 ILE A 15 11.335 2.789 -4.266 1.00 0.00 C ATOM 242 CG2 ILE A 15 13.340 3.793 -3.143 1.00 0.00 C ATOM 243 CD1 ILE A 15 11.109 4.005 -5.139 1.00 0.00 C ATOM 0 H ILE A 15 10.187 1.904 -1.531 1.00 0.00 H new ATOM 0 HA ILE A 15 12.710 1.088 -2.744 1.00 0.00 H new ATOM 0 HB ILE A 15 11.359 3.780 -2.363 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.952 2.074 -4.809 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.376 2.305 -4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.189 4.706 -3.720 1.00 0.00 H new ATOM 0 HG22 ILE A 15 13.782 4.042 -2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 15 14.009 3.127 -3.688 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.632 3.700 -6.071 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.466 4.713 -4.617 1.00 0.00 H new ATOM 0 HD13 ILE A 15 12.066 4.478 -5.359 1.00 0.00 H new ATOM 255 N GLY A 16 14.097 1.353 -0.721 1.00 0.00 N ATOM 256 CA GLY A 16 14.975 1.510 0.412 1.00 0.00 C ATOM 257 C GLY A 16 16.051 0.450 0.411 1.00 0.00 C ATOM 258 O GLY A 16 15.931 -0.562 -0.285 1.00 0.00 O ATOM 0 H GLY A 16 14.390 0.637 -1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.433 2.499 0.388 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.399 1.448 1.335 1.00 0.00 H new ATOM 262 N ASP A 17 17.108 0.677 1.173 1.00 0.00 N ATOM 263 CA ASP A 17 18.208 -0.278 1.246 1.00 0.00 C ATOM 264 C ASP A 17 17.877 -1.395 2.227 1.00 0.00 C ATOM 265 O ASP A 17 18.501 -2.456 2.218 1.00 0.00 O ATOM 266 CB ASP A 17 19.501 0.431 1.655 1.00 0.00 C ATOM 267 CG ASP A 17 19.936 1.474 0.642 1.00 0.00 C ATOM 268 OD1 ASP A 17 20.520 1.093 -0.397 1.00 0.00 O ATOM 269 OD2 ASP A 17 19.689 2.676 0.877 1.00 0.00 O ATOM 0 H ASP A 17 17.230 1.510 1.749 1.00 0.00 H new ATOM 0 HA ASP A 17 18.353 -0.719 0.260 1.00 0.00 H new ATOM 0 HB2 ASP A 17 19.359 0.908 2.625 1.00 0.00 H new ATOM 0 HB3 ASP A 17 20.294 -0.307 1.776 1.00 0.00 H new ATOM 274 N ASP A 18 16.873 -1.144 3.052 1.00 0.00 N ATOM 275 CA ASP A 18 16.387 -2.111 4.026 1.00 0.00 C ATOM 276 C ASP A 18 14.960 -1.724 4.395 1.00 0.00 C ATOM 277 O ASP A 18 14.548 -0.601 4.115 1.00 0.00 O ATOM 278 CB ASP A 18 17.286 -2.107 5.273 1.00 0.00 C ATOM 279 CG ASP A 18 16.969 -3.228 6.250 1.00 0.00 C ATOM 280 OD1 ASP A 18 16.084 -3.047 7.110 1.00 0.00 O ATOM 281 OD2 ASP A 18 17.620 -4.291 6.170 1.00 0.00 O ATOM 0 H ASP A 18 16.368 -0.258 3.065 1.00 0.00 H new ATOM 0 HA ASP A 18 16.406 -3.117 3.606 1.00 0.00 H new ATOM 0 HB2 ASP A 18 18.327 -2.190 4.961 1.00 0.00 H new ATOM 0 HB3 ASP A 18 17.182 -1.150 5.784 1.00 0.00 H new ATOM 286 N GLU A 19 14.202 -2.632 4.993 1.00 0.00 N ATOM 287 CA GLU A 19 12.847 -2.313 5.439 1.00 0.00 C ATOM 288 C GLU A 19 12.878 -1.247 6.535 1.00 0.00 C ATOM 289 O GLU A 19 11.924 -0.487 6.706 1.00 0.00 O ATOM 290 CB GLU A 19 12.138 -3.568 5.942 1.00 0.00 C ATOM 291 CG GLU A 19 11.875 -4.593 4.852 1.00 0.00 C ATOM 292 CD GLU A 19 10.415 -4.674 4.449 1.00 0.00 C ATOM 293 OE1 GLU A 19 9.951 -3.822 3.666 1.00 0.00 O ATOM 294 OE2 GLU A 19 9.723 -5.609 4.911 1.00 0.00 O ATOM 0 H GLU A 19 14.497 -3.590 5.181 1.00 0.00 H new ATOM 0 HA GLU A 19 12.292 -1.919 4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.742 -4.028 6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.190 -3.282 6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.474 -4.344 3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.205 -5.573 5.196 1.00 0.00 H new ATOM 301 N ASN A 20 13.989 -1.187 7.264 1.00 0.00 N ATOM 302 CA ASN A 20 14.182 -0.157 8.285 1.00 0.00 C ATOM 303 C ASN A 20 14.578 1.165 7.642 1.00 0.00 C ATOM 304 O ASN A 20 14.661 2.194 8.314 1.00 0.00 O ATOM 305 CB ASN A 20 15.266 -0.566 9.287 1.00 0.00 C ATOM 306 CG ASN A 20 14.863 -1.734 10.159 1.00 0.00 C ATOM 307 OD1 ASN A 20 14.247 -1.554 11.212 1.00 0.00 O ATOM 308 ND2 ASN A 20 15.211 -2.936 9.734 1.00 0.00 N ATOM 0 H ASN A 20 14.769 -1.837 7.168 1.00 0.00 H new ATOM 0 HA ASN A 20 13.235 -0.041 8.813 1.00 0.00 H new ATOM 0 HB2 ASN A 20 16.175 -0.824 8.744 1.00 0.00 H new ATOM 0 HB3 ASN A 20 15.505 0.287 9.922 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.970 -3.761 10.284 1.00 0.00 H new ATOM 0 HD22 ASN A 20 15.720 -3.039 8.856 1.00 0.00 H new ATOM 315 N ASN A 21 14.830 1.128 6.342 1.00 0.00 N ATOM 316 CA ASN A 21 15.236 2.312 5.596 1.00 0.00 C ATOM 317 C ASN A 21 14.335 2.508 4.388 1.00 0.00 C ATOM 318 O ASN A 21 14.735 3.110 3.391 1.00 0.00 O ATOM 319 CB ASN A 21 16.695 2.191 5.139 1.00 0.00 C ATOM 320 CG ASN A 21 17.673 2.203 6.295 1.00 0.00 C ATOM 321 OD1 ASN A 21 18.021 1.154 6.837 1.00 0.00 O ATOM 322 ND2 ASN A 21 18.120 3.387 6.683 1.00 0.00 N ATOM 0 H ASN A 21 14.760 0.282 5.776 1.00 0.00 H new ATOM 0 HA ASN A 21 15.146 3.176 6.254 1.00 0.00 H new ATOM 0 HB2 ASN A 21 16.819 1.267 4.573 1.00 0.00 H new ATOM 0 HB3 ASN A 21 16.929 3.013 4.462 1.00 0.00 H new ATOM 0 HD21 ASN A 21 18.779 3.454 7.459 1.00 0.00 H new ATOM 0 HD22 ASN A 21 17.806 4.232 6.206 1.00 0.00 H new ATOM 329 N ALA A 22 13.119 1.985 4.477 1.00 0.00 N ATOM 330 CA ALA A 22 12.145 2.137 3.406 1.00 0.00 C ATOM 331 C ALA A 22 11.615 3.563 3.387 1.00 0.00 C ATOM 332 O ALA A 22 10.753 3.926 4.186 1.00 0.00 O ATOM 333 CB ALA A 22 11.005 1.140 3.565 1.00 0.00 C ATOM 0 H ALA A 22 12.784 1.452 5.280 1.00 0.00 H new ATOM 0 HA ALA A 22 12.637 1.932 2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.290 1.273 2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.402 0.125 3.536 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.506 1.307 4.519 1.00 0.00 H new ATOM 339 N LEU A 23 12.155 4.370 2.488 1.00 0.00 N ATOM 340 CA LEU A 23 11.789 5.776 2.406 1.00 0.00 C ATOM 341 C LEU A 23 10.491 5.946 1.629 1.00 0.00 C ATOM 342 O LEU A 23 9.865 7.010 1.661 1.00 0.00 O ATOM 343 CB LEU A 23 12.915 6.575 1.745 1.00 0.00 C ATOM 344 CG LEU A 23 14.269 6.497 2.455 1.00 0.00 C ATOM 345 CD1 LEU A 23 15.323 7.268 1.675 1.00 0.00 C ATOM 346 CD2 LEU A 23 14.161 7.034 3.874 1.00 0.00 C ATOM 0 H LEU A 23 12.850 4.075 1.803 1.00 0.00 H new ATOM 0 HA LEU A 23 11.636 6.155 3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.038 6.221 0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.612 7.620 1.687 1.00 0.00 H new ATOM 0 HG LEU A 23 14.571 5.451 2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.280 7.202 2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 23 15.421 6.842 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 23 15.024 8.313 1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.133 6.970 4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.837 8.074 3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.435 6.443 4.432 1.00 0.00 H new ATOM 358 N ALA A 24 10.098 4.899 0.919 1.00 0.00 N ATOM 359 CA ALA A 24 8.847 4.907 0.182 1.00 0.00 C ATOM 360 C ALA A 24 8.309 3.497 0.005 1.00 0.00 C ATOM 361 O ALA A 24 8.829 2.733 -0.804 1.00 0.00 O ATOM 362 CB ALA A 24 9.040 5.572 -1.175 1.00 0.00 C ATOM 0 H ALA A 24 10.630 4.032 0.839 1.00 0.00 H new ATOM 0 HA ALA A 24 8.118 5.478 0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.095 5.572 -1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.376 6.599 -1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.787 5.022 -1.747 1.00 0.00 H new ATOM 368 N GLU A 25 7.282 3.133 0.766 1.00 0.00 N ATOM 369 CA GLU A 25 6.664 1.827 0.586 1.00 0.00 C ATOM 370 C GLU A 25 5.210 1.977 0.147 1.00 0.00 C ATOM 371 O GLU A 25 4.484 2.859 0.621 1.00 0.00 O ATOM 372 CB GLU A 25 6.770 0.946 1.848 1.00 0.00 C ATOM 373 CG GLU A 25 5.795 1.280 2.972 1.00 0.00 C ATOM 374 CD GLU A 25 6.143 2.547 3.717 1.00 0.00 C ATOM 375 OE1 GLU A 25 7.139 2.546 4.466 1.00 0.00 O ATOM 376 OE2 GLU A 25 5.408 3.546 3.572 1.00 0.00 O ATOM 0 H GLU A 25 6.868 3.711 1.498 1.00 0.00 H new ATOM 0 HA GLU A 25 7.218 1.316 -0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.618 -0.093 1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.785 1.022 2.238 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.792 1.377 2.555 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.768 0.449 3.677 1.00 0.00 H new ATOM 383 N ILE A 26 4.801 1.130 -0.782 1.00 0.00 N ATOM 384 CA ILE A 26 3.445 1.155 -1.302 1.00 0.00 C ATOM 385 C ILE A 26 2.837 -0.244 -1.268 1.00 0.00 C ATOM 386 O ILE A 26 3.463 -1.222 -1.689 1.00 0.00 O ATOM 387 CB ILE A 26 3.404 1.726 -2.744 1.00 0.00 C ATOM 388 CG1 ILE A 26 1.968 1.752 -3.274 1.00 0.00 C ATOM 389 CG2 ILE A 26 4.306 0.924 -3.678 1.00 0.00 C ATOM 390 CD1 ILE A 26 1.836 2.393 -4.641 1.00 0.00 C ATOM 0 H ILE A 26 5.395 0.411 -1.195 1.00 0.00 H new ATOM 0 HA ILE A 26 2.854 1.812 -0.664 1.00 0.00 H new ATOM 0 HB ILE A 26 3.778 2.749 -2.710 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.589 0.731 -3.323 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.338 2.292 -2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.258 1.346 -4.682 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.333 0.965 -3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.972 -0.113 -3.704 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.791 2.376 -4.952 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.183 3.425 -4.594 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.438 1.840 -5.362 1.00 0.00 H new ATOM 402 N THR A 27 1.633 -0.341 -0.737 1.00 0.00 N ATOM 403 CA THR A 27 0.941 -1.611 -0.673 1.00 0.00 C ATOM 404 C THR A 27 -0.090 -1.708 -1.788 1.00 0.00 C ATOM 405 O THR A 27 -0.758 -0.729 -2.108 1.00 0.00 O ATOM 406 CB THR A 27 0.248 -1.802 0.690 1.00 0.00 C ATOM 407 OG1 THR A 27 -0.541 -0.647 1.007 1.00 0.00 O ATOM 408 CG2 THR A 27 1.269 -2.041 1.793 1.00 0.00 C ATOM 0 H THR A 27 1.115 0.445 -0.344 1.00 0.00 H new ATOM 0 HA THR A 27 1.683 -2.400 -0.796 1.00 0.00 H new ATOM 0 HB THR A 27 -0.398 -2.677 0.621 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.379 -0.929 1.430 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.753 -2.173 2.744 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.846 -2.937 1.566 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.940 -1.185 1.860 1.00 0.00 H new ATOM 416 N TYR A 28 -0.193 -2.879 -2.389 1.00 0.00 N ATOM 417 CA TYR A 28 -1.185 -3.122 -3.426 1.00 0.00 C ATOM 418 C TYR A 28 -1.892 -4.436 -3.130 1.00 0.00 C ATOM 419 O TYR A 28 -1.949 -5.343 -3.958 1.00 0.00 O ATOM 420 CB TYR A 28 -0.538 -3.128 -4.826 1.00 0.00 C ATOM 421 CG TYR A 28 0.571 -4.150 -5.023 1.00 0.00 C ATOM 422 CD1 TYR A 28 1.848 -3.938 -4.516 1.00 0.00 C ATOM 423 CD2 TYR A 28 0.338 -5.327 -5.731 1.00 0.00 C ATOM 424 CE1 TYR A 28 2.857 -4.866 -4.708 1.00 0.00 C ATOM 425 CE2 TYR A 28 1.341 -6.258 -5.922 1.00 0.00 C ATOM 426 CZ TYR A 28 2.597 -6.024 -5.409 1.00 0.00 C ATOM 427 OH TYR A 28 3.600 -6.952 -5.599 1.00 0.00 O ATOM 0 H TYR A 28 0.400 -3.681 -2.177 1.00 0.00 H new ATOM 0 HA TYR A 28 -1.918 -2.315 -3.425 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.316 -3.312 -5.567 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.135 -2.135 -5.027 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.056 -3.034 -3.963 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.645 -5.515 -6.138 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.844 -4.683 -4.310 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.140 -7.166 -6.472 1.00 0.00 H new ATOM 0 HH TYR A 28 4.330 -6.544 -6.109 1.00 0.00 H new ATOM 437 N ARG A 29 -2.448 -4.521 -1.935 1.00 0.00 N ATOM 438 CA ARG A 29 -2.958 -5.783 -1.434 1.00 0.00 C ATOM 439 C ARG A 29 -4.298 -6.125 -2.067 1.00 0.00 C ATOM 440 O ARG A 29 -5.036 -5.243 -2.511 1.00 0.00 O ATOM 441 CB ARG A 29 -3.072 -5.750 0.088 1.00 0.00 C ATOM 442 CG ARG A 29 -1.734 -5.529 0.778 1.00 0.00 C ATOM 443 CD ARG A 29 -1.575 -6.430 1.990 1.00 0.00 C ATOM 444 NE ARG A 29 -1.752 -7.839 1.637 1.00 0.00 N ATOM 445 CZ ARG A 29 -0.790 -8.761 1.702 1.00 0.00 C ATOM 446 NH1 ARG A 29 0.429 -8.437 2.111 1.00 0.00 N ATOM 447 NH2 ARG A 29 -1.054 -10.015 1.354 1.00 0.00 N ATOM 0 H ARG A 29 -2.557 -3.734 -1.296 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.250 -6.565 -1.710 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.760 -4.956 0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.503 -6.689 0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.925 -5.720 0.073 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.650 -4.487 1.085 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.587 -6.284 2.426 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.303 -6.150 2.751 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.674 -8.137 1.319 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.638 -7.475 2.379 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.158 -9.149 2.157 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.990 -10.270 1.038 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.321 -10.723 1.402 1.00 0.00 H new ATOM 461 N PHE A 30 -4.602 -7.413 -2.103 1.00 0.00 N ATOM 462 CA PHE A 30 -5.808 -7.902 -2.750 1.00 0.00 C ATOM 463 C PHE A 30 -7.003 -7.800 -1.818 1.00 0.00 C ATOM 464 O PHE A 30 -7.068 -8.501 -0.807 1.00 0.00 O ATOM 465 CB PHE A 30 -5.629 -9.362 -3.182 1.00 0.00 C ATOM 466 CG PHE A 30 -4.614 -9.568 -4.272 1.00 0.00 C ATOM 467 CD1 PHE A 30 -3.259 -9.579 -3.986 1.00 0.00 C ATOM 468 CD2 PHE A 30 -5.021 -9.764 -5.582 1.00 0.00 C ATOM 469 CE1 PHE A 30 -2.329 -9.776 -4.985 1.00 0.00 C ATOM 470 CE2 PHE A 30 -4.094 -9.962 -6.587 1.00 0.00 C ATOM 471 CZ PHE A 30 -2.746 -9.969 -6.288 1.00 0.00 C ATOM 0 H PHE A 30 -4.024 -8.144 -1.688 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.989 -7.282 -3.628 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.336 -9.952 -2.313 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.590 -9.749 -3.520 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.927 -9.432 -2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.074 -9.762 -5.820 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.275 -9.779 -4.749 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.423 -10.111 -7.605 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.019 -10.125 -7.071 1.00 0.00 H new ATOM 481 N VAL A 31 -7.939 -6.922 -2.146 1.00 0.00 N ATOM 482 CA VAL A 31 -9.200 -6.865 -1.419 1.00 0.00 C ATOM 483 C VAL A 31 -10.149 -7.904 -1.983 1.00 0.00 C ATOM 484 O VAL A 31 -11.142 -8.276 -1.356 1.00 0.00 O ATOM 485 CB VAL A 31 -9.863 -5.470 -1.478 1.00 0.00 C ATOM 486 CG1 VAL A 31 -9.060 -4.464 -0.673 1.00 0.00 C ATOM 487 CG2 VAL A 31 -10.032 -4.998 -2.916 1.00 0.00 C ATOM 0 H VAL A 31 -7.852 -6.245 -2.904 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.982 -7.070 -0.371 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.856 -5.552 -1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.542 -3.488 -0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.009 -4.787 0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.052 -4.394 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.501 -4.014 -2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.055 -4.938 -3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.661 -5.704 -3.459 1.00 0.00 H new ATOM 497 N ASP A 32 -9.819 -8.369 -3.178 1.00 0.00 N ATOM 498 CA ASP A 32 -10.561 -9.427 -3.839 1.00 0.00 C ATOM 499 C ASP A 32 -9.595 -10.200 -4.734 1.00 0.00 C ATOM 500 O ASP A 32 -8.383 -10.112 -4.542 1.00 0.00 O ATOM 501 CB ASP A 32 -11.719 -8.840 -4.650 1.00 0.00 C ATOM 502 CG ASP A 32 -12.807 -9.856 -4.939 1.00 0.00 C ATOM 503 OD1 ASP A 32 -13.715 -10.015 -4.097 1.00 0.00 O ATOM 504 OD2 ASP A 32 -12.760 -10.509 -6.000 1.00 0.00 O ATOM 0 H ASP A 32 -9.026 -8.021 -3.717 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.993 -10.104 -3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.149 -7.999 -4.106 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.335 -8.447 -5.592 1.00 0.00 H new ATOM 509 N ASN A 33 -10.106 -10.934 -5.709 1.00 0.00 N ATOM 510 CA ASN A 33 -9.259 -11.793 -6.533 1.00 0.00 C ATOM 511 C ASN A 33 -8.454 -10.987 -7.551 1.00 0.00 C ATOM 512 O ASN A 33 -7.273 -11.257 -7.770 1.00 0.00 O ATOM 513 CB ASN A 33 -10.106 -12.841 -7.261 1.00 0.00 C ATOM 514 CG ASN A 33 -9.266 -13.858 -8.022 1.00 0.00 C ATOM 515 OD1 ASN A 33 -9.665 -14.337 -9.085 1.00 0.00 O ATOM 516 ND2 ASN A 33 -8.113 -14.216 -7.473 1.00 0.00 N ATOM 0 H ASN A 33 -11.097 -10.955 -5.951 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.558 -12.292 -5.864 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -10.731 -13.363 -6.536 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.777 -12.338 -7.957 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.523 -14.910 -7.932 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.816 -13.797 -6.592 1.00 0.00 H new ATOM 523 N ASN A 34 -9.093 -10.001 -8.167 1.00 0.00 N ATOM 524 CA ASN A 34 -8.456 -9.231 -9.237 1.00 0.00 C ATOM 525 C ASN A 34 -8.169 -7.820 -8.762 1.00 0.00 C ATOM 526 O ASN A 34 -7.277 -7.136 -9.265 1.00 0.00 O ATOM 527 CB ASN A 34 -9.372 -9.152 -10.464 1.00 0.00 C ATOM 528 CG ASN A 34 -9.991 -10.484 -10.835 1.00 0.00 C ATOM 529 OD1 ASN A 34 -9.418 -11.259 -11.601 1.00 0.00 O ATOM 530 ND2 ASN A 34 -11.176 -10.745 -10.303 1.00 0.00 N ATOM 0 H ASN A 34 -10.047 -9.714 -7.949 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.527 -9.734 -9.506 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.166 -8.431 -10.270 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -8.800 -8.776 -11.312 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.653 -11.619 -10.523 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -11.612 -10.071 -9.673 1.00 0.00 H new ATOM 537 N GLU A 35 -8.962 -7.398 -7.801 1.00 0.00 N ATOM 538 CA GLU A 35 -8.957 -6.038 -7.322 1.00 0.00 C ATOM 539 C GLU A 35 -7.874 -5.827 -6.269 1.00 0.00 C ATOM 540 O GLU A 35 -8.018 -6.234 -5.112 1.00 0.00 O ATOM 541 CB GLU A 35 -10.339 -5.692 -6.745 1.00 0.00 C ATOM 542 CG GLU A 35 -11.503 -5.792 -7.742 1.00 0.00 C ATOM 543 CD GLU A 35 -11.841 -7.218 -8.183 1.00 0.00 C ATOM 544 OE1 GLU A 35 -11.404 -8.182 -7.524 1.00 0.00 O ATOM 545 OE2 GLU A 35 -12.560 -7.378 -9.193 1.00 0.00 O ATOM 0 H GLU A 35 -9.636 -7.999 -7.326 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.737 -5.376 -8.160 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.542 -6.356 -5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.307 -4.677 -6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.389 -5.345 -7.292 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.260 -5.200 -8.625 1.00 0.00 H new ATOM 552 N ILE A 36 -6.781 -5.205 -6.683 1.00 0.00 N ATOM 553 CA ILE A 36 -5.727 -4.824 -5.760 1.00 0.00 C ATOM 554 C ILE A 36 -5.898 -3.368 -5.372 1.00 0.00 C ATOM 555 O ILE A 36 -6.307 -2.544 -6.194 1.00 0.00 O ATOM 556 CB ILE A 36 -4.313 -5.034 -6.350 1.00 0.00 C ATOM 557 CG1 ILE A 36 -4.134 -4.243 -7.649 1.00 0.00 C ATOM 558 CG2 ILE A 36 -4.053 -6.510 -6.585 1.00 0.00 C ATOM 559 CD1 ILE A 36 -2.741 -4.345 -8.236 1.00 0.00 C ATOM 0 H ILE A 36 -6.602 -4.953 -7.655 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.814 -5.469 -4.886 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.586 -4.662 -5.628 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.856 -4.600 -8.384 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.363 -3.194 -7.460 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.054 -6.642 -7.000 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.127 -7.047 -5.640 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.791 -6.903 -7.284 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.689 -3.760 -9.154 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.015 -3.961 -7.519 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.515 -5.388 -8.457 1.00 0.00 H new ATOM 571 N ASN A 37 -5.612 -3.043 -4.127 1.00 0.00 N ATOM 572 CA ASN A 37 -5.800 -1.680 -3.671 1.00 0.00 C ATOM 573 C ASN A 37 -4.550 -1.139 -3.005 1.00 0.00 C ATOM 574 O ASN A 37 -3.851 -1.850 -2.278 1.00 0.00 O ATOM 575 CB ASN A 37 -7.008 -1.550 -2.725 1.00 0.00 C ATOM 576 CG ASN A 37 -6.745 -1.973 -1.284 1.00 0.00 C ATOM 577 OD1 ASN A 37 -7.208 -1.315 -0.353 1.00 0.00 O ATOM 578 ND2 ASN A 37 -6.060 -3.086 -1.079 1.00 0.00 N ATOM 0 H ASN A 37 -5.255 -3.690 -3.424 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.004 -1.081 -4.558 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.343 -0.513 -2.728 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.827 -2.151 -3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.903 -3.421 -0.128 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.689 -3.610 -1.872 1.00 0.00 H new ATOM 585 N ILE A 38 -4.255 0.115 -3.295 1.00 0.00 N ATOM 586 CA ILE A 38 -3.199 0.822 -2.606 1.00 0.00 C ATOM 587 C ILE A 38 -3.778 1.461 -1.355 1.00 0.00 C ATOM 588 O ILE A 38 -4.310 2.575 -1.393 1.00 0.00 O ATOM 589 CB ILE A 38 -2.527 1.901 -3.492 1.00 0.00 C ATOM 590 CG1 ILE A 38 -1.845 1.276 -4.720 1.00 0.00 C ATOM 591 CG2 ILE A 38 -1.507 2.689 -2.686 1.00 0.00 C ATOM 592 CD1 ILE A 38 -2.792 0.911 -5.844 1.00 0.00 C ATOM 0 H ILE A 38 -4.736 0.664 -4.007 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.422 0.102 -2.348 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.310 2.574 -3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.100 1.974 -5.101 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.310 0.379 -4.406 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.044 3.443 -3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.004 3.178 -1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.740 2.012 -2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.227 0.477 -6.669 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.522 0.187 -5.484 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.309 1.806 -6.189 1.00 0.00 H new ATOM 604 N ASP A 39 -3.724 0.727 -0.257 1.00 0.00 N ATOM 605 CA ASP A 39 -4.340 1.167 0.985 1.00 0.00 C ATOM 606 C ASP A 39 -3.368 1.984 1.819 1.00 0.00 C ATOM 607 O ASP A 39 -3.759 2.609 2.804 1.00 0.00 O ATOM 608 CB ASP A 39 -4.863 -0.029 1.786 1.00 0.00 C ATOM 609 CG ASP A 39 -3.762 -0.934 2.301 1.00 0.00 C ATOM 610 OD1 ASP A 39 -2.992 -1.470 1.479 1.00 0.00 O ATOM 611 OD2 ASP A 39 -3.677 -1.123 3.535 1.00 0.00 O ATOM 0 H ASP A 39 -3.259 -0.179 -0.199 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.185 1.806 0.730 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.448 0.336 2.630 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.538 -0.611 1.158 1.00 0.00 H new ATOM 616 N HIS A 40 -2.107 1.988 1.415 1.00 0.00 N ATOM 617 CA HIS A 40 -1.095 2.787 2.089 1.00 0.00 C ATOM 618 C HIS A 40 -0.048 3.272 1.091 1.00 0.00 C ATOM 619 O HIS A 40 0.414 2.514 0.239 1.00 0.00 O ATOM 620 CB HIS A 40 -0.434 1.975 3.217 1.00 0.00 C ATOM 621 CG HIS A 40 0.805 2.598 3.788 1.00 0.00 C ATOM 622 ND1 HIS A 40 0.784 3.562 4.769 1.00 0.00 N ATOM 623 CD2 HIS A 40 2.113 2.386 3.503 1.00 0.00 C ATOM 624 CE1 HIS A 40 2.020 3.916 5.061 1.00 0.00 C ATOM 625 NE2 HIS A 40 2.848 3.218 4.308 1.00 0.00 N ATOM 0 H HIS A 40 -1.760 1.447 0.623 1.00 0.00 H new ATOM 0 HA HIS A 40 -1.578 3.659 2.531 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.158 1.836 4.020 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -0.185 0.984 2.837 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.504 1.690 2.776 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.307 4.655 5.795 1.00 0.00 H new ATOM 0 HE2 HIS A 40 3.866 3.286 4.322 1.00 0.00 H new ATOM 634 N THR A 41 0.314 4.543 1.200 1.00 0.00 N ATOM 635 CA THR A 41 1.323 5.135 0.341 1.00 0.00 C ATOM 636 C THR A 41 2.275 6.001 1.160 1.00 0.00 C ATOM 637 O THR A 41 2.009 7.178 1.405 1.00 0.00 O ATOM 638 CB THR A 41 0.678 5.996 -0.766 1.00 0.00 C ATOM 639 OG1 THR A 41 -0.401 5.277 -1.374 1.00 0.00 O ATOM 640 CG2 THR A 41 1.702 6.370 -1.830 1.00 0.00 C ATOM 0 H THR A 41 -0.083 5.188 1.884 1.00 0.00 H new ATOM 0 HA THR A 41 1.878 4.321 -0.126 1.00 0.00 H new ATOM 0 HB THR A 41 0.300 6.911 -0.310 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.079 5.910 -1.690 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.223 6.976 -2.599 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.512 6.938 -1.372 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.105 5.464 -2.282 1.00 0.00 H new ATOM 648 N GLY A 42 3.372 5.412 1.602 1.00 0.00 N ATOM 649 CA GLY A 42 4.335 6.149 2.393 1.00 0.00 C ATOM 650 C GLY A 42 5.541 6.542 1.576 1.00 0.00 C ATOM 651 O GLY A 42 6.660 6.111 1.853 1.00 0.00 O ATOM 0 H GLY A 42 3.615 4.437 1.428 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.864 7.043 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.652 5.541 3.241 1.00 0.00 H new ATOM 655 N VAL A 43 5.311 7.357 0.562 1.00 0.00 N ATOM 656 CA VAL A 43 6.363 7.742 -0.361 1.00 0.00 C ATOM 657 C VAL A 43 6.863 9.149 -0.068 1.00 0.00 C ATOM 658 O VAL A 43 6.101 10.114 -0.139 1.00 0.00 O ATOM 659 CB VAL A 43 5.869 7.674 -1.820 1.00 0.00 C ATOM 660 CG1 VAL A 43 6.965 8.113 -2.779 1.00 0.00 C ATOM 661 CG2 VAL A 43 5.391 6.269 -2.157 1.00 0.00 C ATOM 0 H VAL A 43 4.400 7.767 0.357 1.00 0.00 H new ATOM 0 HA VAL A 43 7.184 7.037 -0.226 1.00 0.00 H new ATOM 0 HB VAL A 43 5.027 8.358 -1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.596 8.058 -3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.257 9.139 -2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.829 7.458 -2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.046 6.240 -3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.213 5.565 -2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.571 5.995 -1.493 1.00 0.00 H new ATOM 671 N SER A 44 8.140 9.252 0.276 1.00 0.00 N ATOM 672 CA SER A 44 8.779 10.547 0.440 1.00 0.00 C ATOM 673 C SER A 44 8.966 11.208 -0.923 1.00 0.00 C ATOM 674 O SER A 44 9.395 10.561 -1.883 1.00 0.00 O ATOM 675 CB SER A 44 10.124 10.391 1.152 1.00 0.00 C ATOM 676 OG SER A 44 9.964 9.731 2.401 1.00 0.00 O ATOM 0 H SER A 44 8.752 8.454 0.446 1.00 0.00 H new ATOM 0 HA SER A 44 8.141 11.183 1.054 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.810 9.824 0.522 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.572 11.372 1.309 1.00 0.00 H new ATOM 0 HG SER A 44 9.916 8.763 2.256 1.00 0.00 H new ATOM 766 N VAL A 52 9.309 9.694 -7.412 1.00 0.00 N ATOM 767 CA VAL A 52 9.541 8.529 -6.563 1.00 0.00 C ATOM 768 C VAL A 52 8.274 7.680 -6.465 1.00 0.00 C ATOM 769 O VAL A 52 8.314 6.458 -6.637 1.00 0.00 O ATOM 770 CB VAL A 52 9.995 8.941 -5.145 1.00 0.00 C ATOM 771 CG1 VAL A 52 10.376 7.719 -4.320 1.00 0.00 C ATOM 772 CG2 VAL A 52 11.152 9.924 -5.217 1.00 0.00 C ATOM 0 HA VAL A 52 10.338 7.945 -7.023 1.00 0.00 H new ATOM 0 HB VAL A 52 9.158 9.434 -4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.692 8.035 -3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.515 7.056 -4.233 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.194 7.190 -4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.457 10.202 -4.208 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.992 9.460 -5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.838 10.816 -5.760 1.00 0.00 H new ATOM 782 N GLY A 53 7.146 8.338 -6.219 1.00 0.00 N ATOM 783 CA GLY A 53 5.883 7.634 -6.135 1.00 0.00 C ATOM 784 C GLY A 53 5.447 7.095 -7.480 1.00 0.00 C ATOM 785 O GLY A 53 4.822 6.040 -7.561 1.00 0.00 O ATOM 0 H GLY A 53 7.085 9.346 -6.077 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.973 6.811 -5.426 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.118 8.307 -5.748 1.00 0.00 H new ATOM 789 N LYS A 54 5.799 7.816 -8.539 1.00 0.00 N ATOM 790 CA LYS A 54 5.442 7.420 -9.894 1.00 0.00 C ATOM 791 C LYS A 54 6.179 6.142 -10.280 1.00 0.00 C ATOM 792 O LYS A 54 5.639 5.287 -10.979 1.00 0.00 O ATOM 793 CB LYS A 54 5.777 8.540 -10.883 1.00 0.00 C ATOM 794 CG LYS A 54 5.214 8.313 -12.277 1.00 0.00 C ATOM 795 CD LYS A 54 5.630 9.420 -13.234 1.00 0.00 C ATOM 796 CE LYS A 54 4.911 9.307 -14.571 1.00 0.00 C ATOM 797 NZ LYS A 54 3.439 9.445 -14.419 1.00 0.00 N ATOM 0 H LYS A 54 6.334 8.682 -8.483 1.00 0.00 H new ATOM 0 HA LYS A 54 4.369 7.233 -9.930 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.392 9.483 -10.494 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.860 8.641 -10.950 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.560 7.352 -12.658 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.126 8.263 -12.227 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.414 10.390 -12.785 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.707 9.376 -13.395 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.280 10.077 -15.249 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.141 8.344 -15.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.001 9.550 -15.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.057 8.598 -13.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.227 10.284 -13.842 1.00 0.00 H new ATOM 811 N LYS A 55 7.416 6.027 -9.811 1.00 0.00 N ATOM 812 CA LYS A 55 8.229 4.844 -10.051 1.00 0.00 C ATOM 813 C LYS A 55 7.558 3.609 -9.455 1.00 0.00 C ATOM 814 O LYS A 55 7.422 2.580 -10.121 1.00 0.00 O ATOM 815 CB LYS A 55 9.618 5.040 -9.440 1.00 0.00 C ATOM 816 CG LYS A 55 10.572 3.881 -9.688 1.00 0.00 C ATOM 817 CD LYS A 55 11.933 4.113 -9.041 1.00 0.00 C ATOM 818 CE LYS A 55 12.820 5.047 -9.857 1.00 0.00 C ATOM 819 NZ LYS A 55 12.293 6.437 -9.922 1.00 0.00 N ATOM 0 H LYS A 55 7.880 6.747 -9.257 1.00 0.00 H new ATOM 0 HA LYS A 55 8.331 4.695 -11.126 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.057 5.952 -9.846 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.513 5.188 -8.365 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.136 2.962 -9.296 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.700 3.740 -10.761 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.791 4.532 -8.045 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.439 3.156 -8.915 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.819 5.063 -9.422 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.919 4.654 -10.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.084 7.104 -10.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.653 6.528 -10.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.773 6.652 -9.048 1.00 0.00 H new ATOM 833 N LEU A 56 7.127 3.726 -8.202 1.00 0.00 N ATOM 834 CA LEU A 56 6.454 2.632 -7.515 1.00 0.00 C ATOM 835 C LEU A 56 5.104 2.327 -8.152 1.00 0.00 C ATOM 836 O LEU A 56 4.780 1.167 -8.409 1.00 0.00 O ATOM 837 CB LEU A 56 6.261 2.969 -6.035 1.00 0.00 C ATOM 838 CG LEU A 56 7.532 2.948 -5.188 1.00 0.00 C ATOM 839 CD1 LEU A 56 7.238 3.448 -3.784 1.00 0.00 C ATOM 840 CD2 LEU A 56 8.111 1.542 -5.141 1.00 0.00 C ATOM 0 H LEU A 56 7.233 4.572 -7.641 1.00 0.00 H new ATOM 0 HA LEU A 56 7.085 1.748 -7.604 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.811 3.959 -5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.549 2.263 -5.609 1.00 0.00 H new ATOM 0 HG LEU A 56 8.267 3.611 -5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.153 3.428 -3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.860 4.469 -3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.490 2.806 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.016 1.541 -4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.380 0.862 -4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.352 1.214 -6.152 1.00 0.00 H new ATOM 852 N LEU A 57 4.325 3.373 -8.406 1.00 0.00 N ATOM 853 CA LEU A 57 3.004 3.215 -9.003 1.00 0.00 C ATOM 854 C LEU A 57 3.107 2.554 -10.373 1.00 0.00 C ATOM 855 O LEU A 57 2.260 1.740 -10.742 1.00 0.00 O ATOM 856 CB LEU A 57 2.302 4.572 -9.125 1.00 0.00 C ATOM 857 CG LEU A 57 0.858 4.516 -9.636 1.00 0.00 C ATOM 858 CD1 LEU A 57 -0.024 3.736 -8.671 1.00 0.00 C ATOM 859 CD2 LEU A 57 0.312 5.921 -9.844 1.00 0.00 C ATOM 0 H LEU A 57 4.586 4.339 -8.208 1.00 0.00 H new ATOM 0 HA LEU A 57 2.413 2.572 -8.351 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.306 5.054 -8.148 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.883 5.205 -9.795 1.00 0.00 H new ATOM 0 HG LEU A 57 0.854 3.999 -10.596 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.045 3.708 -9.052 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.355 2.719 -8.573 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.014 4.222 -7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.714 5.863 -10.207 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.332 6.463 -8.898 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.926 6.445 -10.576 1.00 0.00 H new ATOM 871 N LYS A 58 4.158 2.894 -11.115 1.00 0.00 N ATOM 872 CA LYS A 58 4.382 2.309 -12.430 1.00 0.00 C ATOM 873 C LYS A 58 4.517 0.800 -12.322 1.00 0.00 C ATOM 874 O LYS A 58 3.915 0.070 -13.096 1.00 0.00 O ATOM 875 CB LYS A 58 5.638 2.885 -13.088 1.00 0.00 C ATOM 876 CG LYS A 58 5.827 2.433 -14.531 1.00 0.00 C ATOM 877 CD LYS A 58 7.150 2.911 -15.109 1.00 0.00 C ATOM 878 CE LYS A 58 8.331 2.150 -14.529 1.00 0.00 C ATOM 879 NZ LYS A 58 8.355 0.727 -14.968 1.00 0.00 N ATOM 0 H LYS A 58 4.865 3.570 -10.827 1.00 0.00 H new ATOM 0 HA LYS A 58 3.520 2.555 -13.050 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.587 3.973 -13.060 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.511 2.591 -12.506 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.782 1.345 -14.579 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.007 2.813 -15.140 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.137 2.790 -16.192 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.270 3.976 -14.908 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.258 2.637 -14.831 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.289 2.192 -13.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.333 0.106 -14.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.526 0.534 -15.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.223 0.546 -15.512 1.00 0.00 H new ATOM 893 N ALA A 59 5.301 0.343 -11.349 1.00 0.00 N ATOM 894 CA ALA A 59 5.532 -1.087 -11.155 1.00 0.00 C ATOM 895 C ALA A 59 4.224 -1.818 -10.871 1.00 0.00 C ATOM 896 O ALA A 59 3.980 -2.905 -11.400 1.00 0.00 O ATOM 897 CB ALA A 59 6.531 -1.318 -10.030 1.00 0.00 C ATOM 0 H ALA A 59 5.788 0.942 -10.682 1.00 0.00 H new ATOM 0 HA ALA A 59 5.950 -1.491 -12.077 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.691 -2.388 -9.899 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.477 -0.837 -10.279 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.141 -0.894 -9.105 1.00 0.00 H new ATOM 903 N VAL A 60 3.380 -1.211 -10.046 1.00 0.00 N ATOM 904 CA VAL A 60 2.090 -1.796 -9.708 1.00 0.00 C ATOM 905 C VAL A 60 1.188 -1.864 -10.941 1.00 0.00 C ATOM 906 O VAL A 60 0.660 -2.926 -11.275 1.00 0.00 O ATOM 907 CB VAL A 60 1.384 -0.989 -8.595 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.062 -1.635 -8.213 1.00 0.00 C ATOM 909 CG2 VAL A 60 2.282 -0.855 -7.374 1.00 0.00 C ATOM 0 H VAL A 60 3.566 -0.313 -9.599 1.00 0.00 H new ATOM 0 HA VAL A 60 2.275 -2.806 -9.342 1.00 0.00 H new ATOM 0 HB VAL A 60 1.178 0.009 -8.982 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.416 -1.049 -7.428 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.590 -1.673 -9.086 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.243 -2.647 -7.851 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.765 -0.283 -6.603 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.524 -1.846 -6.990 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.201 -0.339 -7.653 1.00 0.00 H new ATOM 919 N VAL A 61 1.040 -0.732 -11.622 1.00 0.00 N ATOM 920 CA VAL A 61 0.200 -0.647 -12.816 1.00 0.00 C ATOM 921 C VAL A 61 0.712 -1.577 -13.914 1.00 0.00 C ATOM 922 O VAL A 61 -0.067 -2.266 -14.573 1.00 0.00 O ATOM 923 CB VAL A 61 0.142 0.804 -13.354 1.00 0.00 C ATOM 924 CG1 VAL A 61 -0.635 0.878 -14.662 1.00 0.00 C ATOM 925 CG2 VAL A 61 -0.479 1.729 -12.319 1.00 0.00 C ATOM 0 H VAL A 61 1.493 0.145 -11.367 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.804 -0.958 -12.528 1.00 0.00 H new ATOM 0 HB VAL A 61 1.164 1.129 -13.550 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.658 1.909 -15.014 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.150 0.250 -15.409 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.654 0.527 -14.500 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.512 2.745 -12.712 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.491 1.394 -12.092 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.121 1.712 -11.409 1.00 0.00 H new ATOM 935 N GLU A 62 2.024 -1.600 -14.078 1.00 0.00 N ATOM 936 CA GLU A 62 2.672 -2.382 -15.123 1.00 0.00 C ATOM 937 C GLU A 62 2.442 -3.877 -14.905 1.00 0.00 C ATOM 938 O GLU A 62 2.085 -4.600 -15.836 1.00 0.00 O ATOM 939 CB GLU A 62 4.166 -2.045 -15.133 1.00 0.00 C ATOM 940 CG GLU A 62 4.927 -2.508 -16.363 1.00 0.00 C ATOM 941 CD GLU A 62 6.244 -1.765 -16.517 1.00 0.00 C ATOM 942 OE1 GLU A 62 7.051 -1.762 -15.565 1.00 0.00 O ATOM 943 OE2 GLU A 62 6.474 -1.167 -17.589 1.00 0.00 O ATOM 0 H GLU A 62 2.673 -1.077 -13.490 1.00 0.00 H new ATOM 0 HA GLU A 62 2.240 -2.130 -16.092 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.279 -0.965 -15.041 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.628 -2.489 -14.251 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.119 -3.579 -16.292 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.314 -2.352 -17.251 1.00 0.00 H new ATOM 950 N HIS A 63 2.612 -4.330 -13.667 1.00 0.00 N ATOM 951 CA HIS A 63 2.433 -5.743 -13.342 1.00 0.00 C ATOM 952 C HIS A 63 0.955 -6.125 -13.358 1.00 0.00 C ATOM 953 O HIS A 63 0.594 -7.228 -13.773 1.00 0.00 O ATOM 954 CB HIS A 63 3.050 -6.065 -11.976 1.00 0.00 C ATOM 955 CG HIS A 63 3.016 -7.522 -11.625 1.00 0.00 C ATOM 956 ND1 HIS A 63 3.519 -8.506 -12.445 1.00 0.00 N ATOM 957 CD2 HIS A 63 2.531 -8.159 -10.533 1.00 0.00 C ATOM 958 CE1 HIS A 63 3.349 -9.682 -11.874 1.00 0.00 C ATOM 959 NE2 HIS A 63 2.751 -9.503 -10.712 1.00 0.00 N ATOM 0 H HIS A 63 2.872 -3.743 -12.874 1.00 0.00 H new ATOM 0 HA HIS A 63 2.946 -6.330 -14.104 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.085 -5.722 -11.965 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.520 -5.503 -11.207 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.956 -8.350 -13.354 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.059 -7.696 -9.679 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.649 -10.633 -12.288 1.00 0.00 H new ATOM 968 N ALA A 64 0.100 -5.216 -12.906 1.00 0.00 N ATOM 969 CA ALA A 64 -1.338 -5.446 -12.935 1.00 0.00 C ATOM 970 C ALA A 64 -1.829 -5.524 -14.373 1.00 0.00 C ATOM 971 O ALA A 64 -2.737 -6.291 -14.695 1.00 0.00 O ATOM 972 CB ALA A 64 -2.074 -4.350 -12.181 1.00 0.00 C ATOM 0 H ALA A 64 0.377 -4.315 -12.516 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.545 -6.396 -12.442 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.146 -4.542 -12.215 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.741 -4.336 -11.143 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.863 -3.386 -12.643 1.00 0.00 H new ATOM 978 N ARG A 65 -1.202 -4.733 -15.235 1.00 0.00 N ATOM 979 CA ARG A 65 -1.519 -4.716 -16.654 1.00 0.00 C ATOM 980 C ARG A 65 -1.226 -6.081 -17.273 1.00 0.00 C ATOM 981 O ARG A 65 -1.945 -6.543 -18.158 1.00 0.00 O ATOM 982 CB ARG A 65 -0.688 -3.627 -17.336 1.00 0.00 C ATOM 983 CG ARG A 65 -1.161 -3.236 -18.725 1.00 0.00 C ATOM 984 CD ARG A 65 -0.327 -2.081 -19.259 1.00 0.00 C ATOM 985 NE ARG A 65 -0.777 -1.610 -20.565 1.00 0.00 N ATOM 986 CZ ARG A 65 -0.195 -0.608 -21.224 1.00 0.00 C ATOM 987 NH1 ARG A 65 0.853 0.021 -20.693 1.00 0.00 N ATOM 988 NH2 ARG A 65 -0.662 -0.236 -22.409 1.00 0.00 N ATOM 0 H ARG A 65 -0.460 -4.086 -14.968 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.578 -4.500 -16.793 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -0.691 -2.739 -16.704 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.345 -3.967 -17.403 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.084 -4.091 -19.397 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.212 -2.950 -18.692 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.363 -1.255 -18.549 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.714 -2.395 -19.331 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.578 -2.071 -20.996 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.211 -0.264 -19.781 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.297 0.788 -21.198 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.465 -0.717 -22.814 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.218 0.531 -22.914 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.171 -6.725 -16.781 1.00 0.00 N ATOM 1003 CA GLU A 66 0.193 -8.061 -17.234 1.00 0.00 C ATOM 1004 C GLU A 66 -0.876 -9.075 -16.840 1.00 0.00 C ATOM 1005 O GLU A 66 -1.396 -9.808 -17.681 1.00 0.00 O ATOM 1006 CB GLU A 66 1.518 -8.506 -16.613 1.00 0.00 C ATOM 1007 CG GLU A 66 2.673 -7.544 -16.814 1.00 0.00 C ATOM 1008 CD GLU A 66 3.960 -8.085 -16.232 1.00 0.00 C ATOM 1009 OE1 GLU A 66 4.097 -8.111 -14.989 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.830 -8.519 -17.018 1.00 0.00 O ATOM 0 H GLU A 66 0.447 -6.340 -16.067 1.00 0.00 H new ATOM 0 HA GLU A 66 0.287 -8.018 -18.319 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.370 -8.654 -15.543 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.793 -9.473 -17.033 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.807 -7.354 -17.879 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.436 -6.588 -16.347 1.00 0.00 H new ATOM 1017 N ASN A 67 -1.211 -9.092 -15.557 1.00 0.00 N ATOM 1018 CA ASN A 67 -2.055 -10.144 -14.995 1.00 0.00 C ATOM 1019 C ASN A 67 -3.540 -9.842 -15.169 1.00 0.00 C ATOM 1020 O ASN A 67 -4.383 -10.607 -14.699 1.00 0.00 O ATOM 1021 CB ASN A 67 -1.741 -10.343 -13.508 1.00 0.00 C ATOM 1022 CG ASN A 67 -0.271 -10.627 -13.235 1.00 0.00 C ATOM 1023 OD1 ASN A 67 0.246 -10.282 -12.174 1.00 0.00 O ATOM 1024 ND2 ASN A 67 0.412 -11.255 -14.181 1.00 0.00 N ATOM 0 H ASN A 67 -0.911 -8.388 -14.882 1.00 0.00 H new ATOM 0 HA ASN A 67 -1.833 -11.060 -15.543 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.039 -9.450 -12.958 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.341 -11.169 -13.125 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.400 -11.467 -14.041 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.050 -11.526 -15.049 1.00 0.00 H new ATOM 1031 N ASN A 68 -3.852 -8.729 -15.836 1.00 0.00 N ATOM 1032 CA ASN A 68 -5.246 -8.332 -16.093 1.00 0.00 C ATOM 1033 C ASN A 68 -5.957 -8.008 -14.781 1.00 0.00 C ATOM 1034 O ASN A 68 -7.146 -8.293 -14.610 1.00 0.00 O ATOM 1035 CB ASN A 68 -6.019 -9.436 -16.839 1.00 0.00 C ATOM 1036 CG ASN A 68 -5.580 -9.644 -18.281 1.00 0.00 C ATOM 1037 OD1 ASN A 68 -6.390 -10.001 -19.137 1.00 0.00 O ATOM 1038 ND2 ASN A 68 -4.304 -9.441 -18.564 1.00 0.00 N ATOM 0 H ASN A 68 -3.158 -8.082 -16.211 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.223 -7.443 -16.724 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.902 -10.374 -16.297 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.081 -9.191 -16.827 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.964 -9.580 -19.516 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.660 -9.145 -17.831 1.00 0.00 H new ATOM 1045 N LEU A 69 -5.225 -7.393 -13.862 1.00 0.00 N ATOM 1046 CA LEU A 69 -5.759 -7.066 -12.547 1.00 0.00 C ATOM 1047 C LEU A 69 -6.434 -5.701 -12.560 1.00 0.00 C ATOM 1048 O LEU A 69 -6.322 -4.950 -13.527 1.00 0.00 O ATOM 1049 CB LEU A 69 -4.644 -7.085 -11.498 1.00 0.00 C ATOM 1050 CG LEU A 69 -3.946 -8.436 -11.314 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -2.827 -8.322 -10.293 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -4.948 -9.499 -10.887 1.00 0.00 C ATOM 0 H LEU A 69 -4.256 -7.109 -14.004 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.503 -7.819 -12.289 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.896 -6.342 -11.773 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.063 -6.777 -10.540 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.513 -8.733 -12.269 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.342 -9.291 -10.175 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.096 -7.590 -10.635 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.239 -8.003 -9.336 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.435 -10.453 -10.761 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.408 -9.207 -9.943 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.719 -9.600 -11.651 1.00 0.00 H new ATOM 1064 N LYS A 70 -7.133 -5.388 -11.481 1.00 0.00 N ATOM 1065 CA LYS A 70 -7.810 -4.104 -11.345 1.00 0.00 C ATOM 1066 C LYS A 70 -7.152 -3.300 -10.237 1.00 0.00 C ATOM 1067 O LYS A 70 -6.939 -3.817 -9.141 1.00 0.00 O ATOM 1068 CB LYS A 70 -9.287 -4.308 -11.005 1.00 0.00 C ATOM 1069 CG LYS A 70 -10.028 -5.236 -11.951 1.00 0.00 C ATOM 1070 CD LYS A 70 -11.443 -5.479 -11.459 1.00 0.00 C ATOM 1071 CE LYS A 70 -12.165 -6.523 -12.292 1.00 0.00 C ATOM 1072 NZ LYS A 70 -13.465 -6.900 -11.679 1.00 0.00 N ATOM 0 H LYS A 70 -7.248 -6.009 -10.680 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.735 -3.569 -12.292 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.362 -4.706 -9.993 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.784 -3.338 -11.004 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.054 -4.801 -12.950 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.496 -6.184 -12.030 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.414 -5.802 -10.418 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.002 -4.544 -11.487 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.333 -6.136 -13.297 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.538 -7.409 -12.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.870 -7.708 -12.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.316 -7.163 -10.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.120 -6.093 -11.730 1.00 0.00 H new ATOM 1086 N ILE A 71 -6.825 -2.048 -10.510 1.00 0.00 N ATOM 1087 CA ILE A 71 -6.189 -1.210 -9.506 1.00 0.00 C ATOM 1088 C ILE A 71 -7.145 -0.164 -8.950 1.00 0.00 C ATOM 1089 O ILE A 71 -7.693 0.660 -9.686 1.00 0.00 O ATOM 1090 CB ILE A 71 -4.934 -0.508 -10.061 1.00 0.00 C ATOM 1091 CG1 ILE A 71 -3.875 -1.548 -10.417 1.00 0.00 C ATOM 1092 CG2 ILE A 71 -4.384 0.500 -9.057 1.00 0.00 C ATOM 1093 CD1 ILE A 71 -2.582 -0.945 -10.906 1.00 0.00 C ATOM 0 H ILE A 71 -6.987 -1.593 -11.408 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.893 -1.878 -8.697 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.210 0.039 -10.963 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.672 -2.163 -9.540 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.272 -2.211 -11.186 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.499 0.982 -9.473 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.142 1.254 -8.846 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.117 -0.014 -8.134 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.875 -1.741 -11.141 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.772 -0.353 -11.801 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.163 -0.305 -10.130 1.00 0.00 H new ATOM 1105 N ILE A 72 -7.348 -0.227 -7.643 1.00 0.00 N ATOM 1106 CA ILE A 72 -8.069 0.803 -6.915 1.00 0.00 C ATOM 1107 C ILE A 72 -7.171 1.347 -5.806 1.00 0.00 C ATOM 1108 O ILE A 72 -6.190 0.707 -5.428 1.00 0.00 O ATOM 1109 CB ILE A 72 -9.394 0.282 -6.313 1.00 0.00 C ATOM 1110 CG1 ILE A 72 -9.150 -0.966 -5.457 1.00 0.00 C ATOM 1111 CG2 ILE A 72 -10.399 -0.015 -7.417 1.00 0.00 C ATOM 1112 CD1 ILE A 72 -10.400 -1.513 -4.797 1.00 0.00 C ATOM 0 H ILE A 72 -7.017 -0.994 -7.058 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.329 1.593 -7.619 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.806 1.059 -5.670 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.712 -1.743 -6.083 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.418 -0.728 -4.685 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -11.326 -0.381 -6.976 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.600 0.896 -7.981 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.991 -0.773 -8.086 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.145 -2.395 -4.209 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.829 -0.753 -4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -11.127 -1.785 -5.563 1.00 0.00 H new ATOM 1124 N ALA A 73 -7.486 2.521 -5.291 1.00 0.00 N ATOM 1125 CA ALA A 73 -6.625 3.150 -4.307 1.00 0.00 C ATOM 1126 C ALA A 73 -7.414 3.644 -3.104 1.00 0.00 C ATOM 1127 O ALA A 73 -8.424 4.335 -3.246 1.00 0.00 O ATOM 1128 CB ALA A 73 -5.850 4.294 -4.942 1.00 0.00 C ATOM 0 H ALA A 73 -8.322 3.053 -5.534 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.921 2.398 -3.951 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.208 4.758 -4.194 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.238 3.910 -5.758 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.548 5.035 -5.330 1.00 0.00 H new ATOM 1134 N SER A 74 -6.946 3.274 -1.923 1.00 0.00 N ATOM 1135 CA SER A 74 -7.539 3.730 -0.680 1.00 0.00 C ATOM 1136 C SER A 74 -6.934 5.079 -0.304 1.00 0.00 C ATOM 1137 O SER A 74 -7.646 6.015 0.066 1.00 0.00 O ATOM 1138 CB SER A 74 -7.298 2.694 0.428 1.00 0.00 C ATOM 1139 OG SER A 74 -7.925 3.069 1.641 1.00 0.00 O ATOM 0 H SER A 74 -6.147 2.651 -1.801 1.00 0.00 H new ATOM 0 HA SER A 74 -8.616 3.847 -0.804 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.677 1.724 0.107 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.227 2.580 0.592 1.00 0.00 H new ATOM 0 HG SER A 74 -7.752 2.387 2.323 1.00 0.00 H new ATOM 1145 N CYS A 75 -5.613 5.172 -0.426 1.00 0.00 N ATOM 1146 CA CYS A 75 -4.912 6.425 -0.203 1.00 0.00 C ATOM 1147 C CYS A 75 -5.292 7.440 -1.274 1.00 0.00 C ATOM 1148 O CYS A 75 -5.108 7.190 -2.469 1.00 0.00 O ATOM 1149 CB CYS A 75 -3.403 6.204 -0.203 1.00 0.00 C ATOM 1150 SG CYS A 75 -2.805 5.366 1.274 1.00 0.00 S ATOM 0 H CYS A 75 -5.008 4.390 -0.679 1.00 0.00 H new ATOM 0 HA CYS A 75 -5.205 6.813 0.772 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -3.129 5.618 -1.081 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -2.902 7.168 -0.293 1.00 0.00 H new ATOM 0 HG CYS A 75 -1.949 6.128 1.889 1.00 0.00 H new ATOM 1156 N SER A 76 -5.817 8.583 -0.845 1.00 0.00 N ATOM 1157 CA SER A 76 -6.283 9.608 -1.769 1.00 0.00 C ATOM 1158 C SER A 76 -5.132 10.124 -2.632 1.00 0.00 C ATOM 1159 O SER A 76 -5.337 10.516 -3.779 1.00 0.00 O ATOM 1160 CB SER A 76 -6.929 10.763 -0.997 1.00 0.00 C ATOM 1161 OG SER A 76 -7.603 11.658 -1.871 1.00 0.00 O ATOM 0 H SER A 76 -5.930 8.822 0.140 1.00 0.00 H new ATOM 0 HA SER A 76 -7.030 9.163 -2.427 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.634 10.365 -0.267 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.164 11.303 -0.440 1.00 0.00 H new ATOM 0 HG SER A 76 -8.006 12.383 -1.349 1.00 0.00 H new ATOM 1167 N PHE A 77 -3.921 10.102 -2.078 1.00 0.00 N ATOM 1168 CA PHE A 77 -2.737 10.545 -2.805 1.00 0.00 C ATOM 1169 C PHE A 77 -2.541 9.717 -4.074 1.00 0.00 C ATOM 1170 O PHE A 77 -2.533 10.258 -5.181 1.00 0.00 O ATOM 1171 CB PHE A 77 -1.497 10.449 -1.908 1.00 0.00 C ATOM 1172 CG PHE A 77 -0.221 10.859 -2.589 1.00 0.00 C ATOM 1173 CD1 PHE A 77 -0.028 12.167 -3.003 1.00 0.00 C ATOM 1174 CD2 PHE A 77 0.788 9.934 -2.809 1.00 0.00 C ATOM 1175 CE1 PHE A 77 1.146 12.546 -3.625 1.00 0.00 C ATOM 1176 CE2 PHE A 77 1.964 10.307 -3.430 1.00 0.00 C ATOM 1177 CZ PHE A 77 2.144 11.615 -3.840 1.00 0.00 C ATOM 0 H PHE A 77 -3.736 9.782 -1.127 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.880 11.586 -3.095 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.647 11.076 -1.029 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.395 9.423 -1.554 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.805 12.899 -2.838 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.653 8.911 -2.491 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.283 13.569 -3.943 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.743 9.577 -3.595 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.062 11.908 -4.327 1.00 0.00 H new ATOM 1187 N ALA A 78 -2.415 8.404 -3.906 1.00 0.00 N ATOM 1188 CA ALA A 78 -2.209 7.500 -5.032 1.00 0.00 C ATOM 1189 C ALA A 78 -3.415 7.508 -5.963 1.00 0.00 C ATOM 1190 O ALA A 78 -3.273 7.438 -7.185 1.00 0.00 O ATOM 1191 CB ALA A 78 -1.934 6.093 -4.529 1.00 0.00 C ATOM 0 H ALA A 78 -2.452 7.942 -2.998 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.344 7.846 -5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.782 5.426 -5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.039 6.098 -3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.783 5.744 -3.942 1.00 0.00 H new ATOM 1197 N LYS A 79 -4.601 7.610 -5.375 1.00 0.00 N ATOM 1198 CA LYS A 79 -5.840 7.674 -6.141 1.00 0.00 C ATOM 1199 C LYS A 79 -5.830 8.906 -7.042 1.00 0.00 C ATOM 1200 O LYS A 79 -6.231 8.845 -8.205 1.00 0.00 O ATOM 1201 CB LYS A 79 -7.044 7.697 -5.181 1.00 0.00 C ATOM 1202 CG LYS A 79 -8.410 7.597 -5.859 1.00 0.00 C ATOM 1203 CD LYS A 79 -8.924 8.952 -6.327 1.00 0.00 C ATOM 1204 CE LYS A 79 -9.132 9.912 -5.162 1.00 0.00 C ATOM 1205 NZ LYS A 79 -10.231 9.472 -4.257 1.00 0.00 N ATOM 0 H LYS A 79 -4.731 7.650 -4.364 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.925 6.791 -6.775 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.943 6.872 -4.476 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.009 8.619 -4.600 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.341 6.923 -6.713 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.127 7.159 -5.164 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.215 9.385 -7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.865 8.819 -6.861 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.206 9.995 -4.592 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.358 10.906 -5.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.415 10.212 -3.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.093 9.303 -4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.953 8.593 -3.775 1.00 0.00 H new ATOM 1219 N HIS A 80 -5.337 10.013 -6.504 1.00 0.00 N ATOM 1220 CA HIS A 80 -5.310 11.272 -7.232 1.00 0.00 C ATOM 1221 C HIS A 80 -4.204 11.266 -8.283 1.00 0.00 C ATOM 1222 O HIS A 80 -4.251 12.028 -9.249 1.00 0.00 O ATOM 1223 CB HIS A 80 -5.131 12.442 -6.264 1.00 0.00 C ATOM 1224 CG HIS A 80 -5.478 13.768 -6.860 1.00 0.00 C ATOM 1225 ND1 HIS A 80 -6.724 14.058 -7.363 1.00 0.00 N ATOM 1226 CD2 HIS A 80 -4.738 14.887 -7.022 1.00 0.00 C ATOM 1227 CE1 HIS A 80 -6.738 15.299 -7.810 1.00 0.00 C ATOM 1228 NE2 HIS A 80 -5.541 15.830 -7.613 1.00 0.00 N ATOM 0 H HIS A 80 -4.949 10.064 -5.562 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.263 11.393 -7.747 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -5.753 12.274 -5.385 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.096 12.466 -5.923 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -7.515 13.414 -7.387 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.704 15.016 -6.738 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -7.583 15.798 -8.261 1.00 0.00 H new ATOM 1237 N MET A 81 -3.210 10.406 -8.095 1.00 0.00 N ATOM 1238 CA MET A 81 -2.164 10.224 -9.096 1.00 0.00 C ATOM 1239 C MET A 81 -2.746 9.537 -10.323 1.00 0.00 C ATOM 1240 O MET A 81 -2.358 9.826 -11.457 1.00 0.00 O ATOM 1241 CB MET A 81 -1.000 9.399 -8.537 1.00 0.00 C ATOM 1242 CG MET A 81 -0.265 10.074 -7.388 1.00 0.00 C ATOM 1243 SD MET A 81 1.096 9.081 -6.748 1.00 0.00 S ATOM 1244 CE MET A 81 2.142 8.965 -8.196 1.00 0.00 C ATOM 0 H MET A 81 -3.106 9.826 -7.263 1.00 0.00 H new ATOM 0 HA MET A 81 -1.779 11.205 -9.373 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.380 8.436 -8.197 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.292 9.197 -9.340 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.121 11.036 -7.725 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.970 10.278 -6.582 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.185 9.078 -7.901 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.002 7.993 -8.669 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.877 9.753 -8.901 1.00 0.00 H new ATOM 1254 N LEU A 82 -3.697 8.643 -10.080 1.00 0.00 N ATOM 1255 CA LEU A 82 -4.394 7.942 -11.152 1.00 0.00 C ATOM 1256 C LEU A 82 -5.349 8.888 -11.873 1.00 0.00 C ATOM 1257 O LEU A 82 -5.601 8.740 -13.066 1.00 0.00 O ATOM 1258 CB LEU A 82 -5.161 6.743 -10.587 1.00 0.00 C ATOM 1259 CG LEU A 82 -4.298 5.689 -9.889 1.00 0.00 C ATOM 1260 CD1 LEU A 82 -5.168 4.616 -9.253 1.00 0.00 C ATOM 1261 CD2 LEU A 82 -3.321 5.063 -10.873 1.00 0.00 C ATOM 0 H LEU A 82 -4.005 8.385 -9.143 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.657 7.581 -11.869 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.904 7.108 -9.878 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.705 6.264 -11.401 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.729 6.182 -9.101 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.534 3.877 -8.763 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.829 5.073 -8.517 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.765 4.128 -10.023 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.716 4.316 -10.359 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.875 4.587 -11.683 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.672 5.837 -11.283 1.00 0.00 H new ATOM 1273 N GLU A 83 -5.876 9.860 -11.134 1.00 0.00 N ATOM 1274 CA GLU A 83 -6.725 10.892 -11.718 1.00 0.00 C ATOM 1275 C GLU A 83 -5.892 11.832 -12.582 1.00 0.00 C ATOM 1276 O GLU A 83 -6.343 12.300 -13.626 1.00 0.00 O ATOM 1277 CB GLU A 83 -7.415 11.711 -10.627 1.00 0.00 C ATOM 1278 CG GLU A 83 -8.299 10.906 -9.693 1.00 0.00 C ATOM 1279 CD GLU A 83 -8.950 11.786 -8.649 1.00 0.00 C ATOM 1280 OE1 GLU A 83 -8.326 12.024 -7.596 1.00 0.00 O ATOM 1281 OE2 GLU A 83 -10.075 12.267 -8.892 1.00 0.00 O ATOM 0 H GLU A 83 -5.730 9.954 -10.129 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.480 10.396 -12.328 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.653 12.219 -10.036 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.019 12.485 -11.100 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.069 10.394 -10.270 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.704 10.136 -9.202 1.00 0.00 H new ATOM 1288 N LYS A 84 -4.678 12.114 -12.117 1.00 0.00 N ATOM 1289 CA LYS A 84 -3.770 13.026 -12.802 1.00 0.00 C ATOM 1290 C LYS A 84 -3.493 12.581 -14.230 1.00 0.00 C ATOM 1291 O LYS A 84 -3.651 13.354 -15.174 1.00 0.00 O ATOM 1292 CB LYS A 84 -2.441 13.114 -12.044 1.00 0.00 C ATOM 1293 CG LYS A 84 -1.354 13.849 -12.814 1.00 0.00 C ATOM 1294 CD LYS A 84 0.020 13.608 -12.212 1.00 0.00 C ATOM 1295 CE LYS A 84 1.118 14.262 -13.038 1.00 0.00 C ATOM 1296 NZ LYS A 84 1.216 13.692 -14.412 1.00 0.00 N ATOM 0 H LYS A 84 -4.298 11.718 -11.257 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.254 14.002 -12.831 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.607 13.619 -11.092 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.095 12.106 -11.814 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.359 13.521 -13.853 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.568 14.918 -12.816 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.046 14.001 -11.196 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.205 12.536 -12.144 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.928 15.333 -13.105 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.074 14.139 -12.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.078 14.046 -14.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.254 12.654 -14.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.384 13.978 -14.967 1.00 0.00 H new ATOM 1310 N GLU A 85 -3.089 11.334 -14.384 1.00 0.00 N ATOM 1311 CA GLU A 85 -2.565 10.872 -15.649 1.00 0.00 C ATOM 1312 C GLU A 85 -3.471 9.816 -16.266 1.00 0.00 C ATOM 1313 O GLU A 85 -3.651 8.731 -15.711 1.00 0.00 O ATOM 1314 CB GLU A 85 -1.156 10.331 -15.431 1.00 0.00 C ATOM 1315 CG GLU A 85 -0.283 10.367 -16.668 1.00 0.00 C ATOM 1316 CD GLU A 85 1.183 10.254 -16.319 1.00 0.00 C ATOM 1317 OE1 GLU A 85 1.774 11.270 -15.891 1.00 0.00 O ATOM 1318 OE2 GLU A 85 1.749 9.152 -16.442 1.00 0.00 O ATOM 0 H GLU A 85 -3.115 10.627 -13.649 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.526 11.706 -16.350 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.674 10.909 -14.642 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.224 9.302 -15.077 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.563 9.551 -17.335 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.458 11.296 -17.210 1.00 0.00 H new ATOM 1325 N ASP A 86 -4.020 10.140 -17.432 1.00 0.00 N ATOM 1326 CA ASP A 86 -4.956 9.258 -18.127 1.00 0.00 C ATOM 1327 C ASP A 86 -4.228 8.076 -18.760 1.00 0.00 C ATOM 1328 O ASP A 86 -4.844 7.221 -19.390 1.00 0.00 O ATOM 1329 CB ASP A 86 -5.722 10.031 -19.211 1.00 0.00 C ATOM 1330 CG ASP A 86 -6.668 11.075 -18.645 1.00 0.00 C ATOM 1331 OD1 ASP A 86 -6.206 12.185 -18.306 1.00 0.00 O ATOM 1332 OD2 ASP A 86 -7.887 10.799 -18.559 1.00 0.00 O ATOM 0 H ASP A 86 -3.832 11.015 -17.921 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.663 8.879 -17.389 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.007 10.519 -19.874 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.290 9.326 -19.818 1.00 0.00 H new ATOM 1337 N SER A 87 -2.915 8.030 -18.576 1.00 0.00 N ATOM 1338 CA SER A 87 -2.099 6.955 -19.123 1.00 0.00 C ATOM 1339 C SER A 87 -2.141 5.732 -18.204 1.00 0.00 C ATOM 1340 O SER A 87 -1.576 4.685 -18.516 1.00 0.00 O ATOM 1341 CB SER A 87 -0.655 7.434 -19.316 1.00 0.00 C ATOM 1342 OG SER A 87 0.093 6.522 -20.102 1.00 0.00 O ATOM 0 H SER A 87 -2.391 8.729 -18.049 1.00 0.00 H new ATOM 0 HA SER A 87 -2.503 6.668 -20.094 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.656 8.413 -19.795 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.177 7.555 -18.344 1.00 0.00 H new ATOM 0 HG SER A 87 -0.256 5.616 -19.972 1.00 0.00 H new ATOM 1348 N TYR A 88 -2.804 5.874 -17.063 1.00 0.00 N ATOM 1349 CA TYR A 88 -2.972 4.762 -16.134 1.00 0.00 C ATOM 1350 C TYR A 88 -4.379 4.182 -16.246 1.00 0.00 C ATOM 1351 O TYR A 88 -4.769 3.316 -15.462 1.00 0.00 O ATOM 1352 CB TYR A 88 -2.712 5.212 -14.692 1.00 0.00 C ATOM 1353 CG TYR A 88 -1.287 5.651 -14.423 1.00 0.00 C ATOM 1354 CD1 TYR A 88 -0.254 4.726 -14.371 1.00 0.00 C ATOM 1355 CD2 TYR A 88 -0.981 6.990 -14.210 1.00 0.00 C ATOM 1356 CE1 TYR A 88 1.045 5.120 -14.112 1.00 0.00 C ATOM 1357 CE2 TYR A 88 0.315 7.392 -13.954 1.00 0.00 C ATOM 1358 CZ TYR A 88 1.323 6.454 -13.906 1.00 0.00 C ATOM 1359 OH TYR A 88 2.618 6.852 -13.651 1.00 0.00 O ATOM 0 H TYR A 88 -3.234 6.747 -16.758 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.246 3.992 -16.397 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.385 6.036 -14.454 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.961 4.393 -14.018 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.469 3.680 -14.536 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.769 7.728 -14.245 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.837 4.387 -14.071 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.537 8.436 -13.792 1.00 0.00 H new ATOM 0 HH TYR A 88 3.242 6.241 -14.096 1.00 0.00 H new ATOM 1369 N GLN A 89 -5.120 4.631 -17.254 1.00 0.00 N ATOM 1370 CA GLN A 89 -6.533 4.289 -17.388 1.00 0.00 C ATOM 1371 C GLN A 89 -6.715 2.868 -17.933 1.00 0.00 C ATOM 1372 O GLN A 89 -7.835 2.412 -18.148 1.00 0.00 O ATOM 1373 CB GLN A 89 -7.225 5.307 -18.302 1.00 0.00 C ATOM 1374 CG GLN A 89 -8.745 5.252 -18.252 1.00 0.00 C ATOM 1375 CD GLN A 89 -9.396 6.303 -19.128 1.00 0.00 C ATOM 1376 OE1 GLN A 89 -9.686 6.063 -20.299 1.00 0.00 O ATOM 1377 NE2 GLN A 89 -9.619 7.481 -18.568 1.00 0.00 N ATOM 0 H GLN A 89 -4.764 5.236 -17.994 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.990 4.322 -16.399 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.899 6.309 -18.025 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.899 5.138 -19.328 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.080 4.264 -18.567 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.076 5.387 -17.222 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.363 7.639 -17.593 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.047 8.231 -19.111 1.00 0.00 H new ATOM 1386 N ASP A 90 -5.609 2.170 -18.154 1.00 0.00 N ATOM 1387 CA ASP A 90 -5.663 0.788 -18.623 1.00 0.00 C ATOM 1388 C ASP A 90 -6.253 -0.113 -17.548 1.00 0.00 C ATOM 1389 O ASP A 90 -7.275 -0.766 -17.761 1.00 0.00 O ATOM 1390 CB ASP A 90 -4.271 0.285 -19.011 1.00 0.00 C ATOM 1391 CG ASP A 90 -3.701 1.020 -20.202 1.00 0.00 C ATOM 1392 OD1 ASP A 90 -4.036 0.658 -21.347 1.00 0.00 O ATOM 1393 OD2 ASP A 90 -2.921 1.972 -19.997 1.00 0.00 O ATOM 0 H ASP A 90 -4.666 2.534 -18.017 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.301 0.759 -19.506 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.597 0.399 -18.162 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.323 -0.780 -19.236 1.00 0.00 H new ATOM 1398 N VAL A 91 -5.615 -0.125 -16.384 1.00 0.00 N ATOM 1399 CA VAL A 91 -6.049 -0.970 -15.274 1.00 0.00 C ATOM 1400 C VAL A 91 -6.851 -0.172 -14.250 1.00 0.00 C ATOM 1401 O VAL A 91 -7.346 -0.719 -13.262 1.00 0.00 O ATOM 1402 CB VAL A 91 -4.849 -1.637 -14.575 1.00 0.00 C ATOM 1403 CG1 VAL A 91 -4.192 -2.653 -15.499 1.00 0.00 C ATOM 1404 CG2 VAL A 91 -3.843 -0.587 -14.128 1.00 0.00 C ATOM 0 H VAL A 91 -4.792 0.443 -16.182 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.687 -1.745 -15.697 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.211 -2.162 -13.691 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.346 -3.115 -14.989 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.917 -3.421 -15.769 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.842 -2.151 -16.401 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.002 -1.075 -13.636 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.485 -0.034 -14.996 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.321 0.101 -13.431 1.00 0.00 H new ATOM 1414 N TYR A 92 -6.961 1.127 -14.482 1.00 0.00 N ATOM 1415 CA TYR A 92 -7.778 1.984 -13.642 1.00 0.00 C ATOM 1416 C TYR A 92 -9.225 1.906 -14.110 1.00 0.00 C ATOM 1417 O TYR A 92 -9.545 2.306 -15.229 1.00 0.00 O ATOM 1418 CB TYR A 92 -7.263 3.427 -13.698 1.00 0.00 C ATOM 1419 CG TYR A 92 -8.020 4.403 -12.822 1.00 0.00 C ATOM 1420 CD1 TYR A 92 -8.000 4.287 -11.438 1.00 0.00 C ATOM 1421 CD2 TYR A 92 -8.751 5.446 -13.381 1.00 0.00 C ATOM 1422 CE1 TYR A 92 -8.684 5.182 -10.636 1.00 0.00 C ATOM 1423 CE2 TYR A 92 -9.434 6.345 -12.586 1.00 0.00 C ATOM 1424 CZ TYR A 92 -9.401 6.207 -11.215 1.00 0.00 C ATOM 1425 OH TYR A 92 -10.082 7.098 -10.420 1.00 0.00 O ATOM 0 H TYR A 92 -6.492 1.611 -15.248 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.720 1.648 -12.607 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.213 3.435 -13.405 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.309 3.775 -14.730 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.441 3.484 -10.981 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.785 5.555 -14.455 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.657 5.078 -9.561 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -9.992 7.153 -13.037 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.535 7.760 -10.984 1.00 0.00 H new ATOM 1435 N LEU A 93 -10.082 1.357 -13.259 1.00 0.00 N ATOM 1436 CA LEU A 93 -11.489 1.148 -13.599 1.00 0.00 C ATOM 1437 C LEU A 93 -12.219 2.474 -13.799 1.00 0.00 C ATOM 1438 O LEU A 93 -13.133 2.573 -14.619 1.00 0.00 O ATOM 1439 CB LEU A 93 -12.184 0.337 -12.503 1.00 0.00 C ATOM 1440 CG LEU A 93 -11.606 -1.058 -12.255 1.00 0.00 C ATOM 1441 CD1 LEU A 93 -12.319 -1.728 -11.091 1.00 0.00 C ATOM 1442 CD2 LEU A 93 -11.712 -1.908 -13.514 1.00 0.00 C ATOM 0 H LEU A 93 -9.828 1.046 -12.322 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.523 0.595 -14.538 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.138 0.902 -11.572 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -13.238 0.235 -12.763 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.552 -0.958 -11.998 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -11.896 -2.719 -10.927 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -12.192 -1.126 -10.191 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.381 -1.819 -11.319 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -11.297 -2.897 -13.321 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -12.759 -2.004 -13.801 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -11.156 -1.432 -14.322 1.00 0.00 H new