USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 534 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 43 THR OG1 : rot 134:sc= 1.38 USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -151:sc= -0.184 (180deg=-0.738) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -3.75! C(o=-3.7!,f=-2.4!) USER MOD Single : A 6 THR OG1 : rot 140:sc= 1.26 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot -1:sc= -1.03 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0116 K(o=-0.012,f=-0.83) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 76:sc= 0.554 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.59) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.157 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.36 X(o=-0.36,f=-0.69) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.502 X(o=-0.5,f=-0.84) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.136 K(o=-0.14,f=-0.74) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.026 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.844 15.317 4.243 1.00 0.00 N ATOM 2 CA MET A 1 3.627 14.068 4.054 1.00 0.00 C ATOM 3 C MET A 1 2.932 13.125 3.077 1.00 0.00 C ATOM 4 O MET A 1 1.704 13.055 3.034 1.00 0.00 O ATOM 5 CB MET A 1 3.796 13.388 5.414 1.00 0.00 C ATOM 6 CG MET A 1 5.145 12.714 5.595 1.00 0.00 C ATOM 7 SD MET A 1 5.833 12.963 7.243 1.00 0.00 S ATOM 8 CE MET A 1 6.082 14.736 7.242 1.00 0.00 C ATOM 0 H1 MET A 1 3.340 15.940 4.912 1.00 0.00 H new ATOM 0 H2 MET A 1 2.740 15.803 3.330 1.00 0.00 H new ATOM 0 H3 MET A 1 1.903 15.083 4.620 1.00 0.00 H new ATOM 0 HA MET A 1 4.602 14.316 3.634 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.662 14.130 6.201 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.009 12.645 5.539 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.041 11.645 5.407 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.843 13.101 4.852 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.917 14.987 7.896 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.302 15.072 6.229 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.179 15.230 7.600 1.00 0.00 H new ATOM 20 N GLU A 2 3.727 12.401 2.295 1.00 0.00 N ATOM 21 CA GLU A 2 3.188 11.462 1.319 1.00 0.00 C ATOM 22 C GLU A 2 2.400 10.351 2.008 1.00 0.00 C ATOM 23 O GLU A 2 2.798 9.854 3.061 1.00 0.00 O ATOM 24 CB GLU A 2 4.320 10.858 0.485 1.00 0.00 C ATOM 25 CG GLU A 2 4.591 11.611 -0.807 1.00 0.00 C ATOM 26 CD GLU A 2 6.073 11.770 -1.090 1.00 0.00 C ATOM 27 OE1 GLU A 2 6.771 10.740 -1.194 1.00 0.00 O ATOM 28 OE2 GLU A 2 6.533 12.926 -1.206 1.00 0.00 O ATOM 0 H GLU A 2 4.746 12.447 2.319 1.00 0.00 H new ATOM 0 HA GLU A 2 2.511 12.008 0.662 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.231 10.840 1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.073 9.823 0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.121 11.083 -1.637 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.127 12.596 -0.753 1.00 0.00 H new ATOM 35 N GLN A 3 1.279 9.968 1.406 1.00 0.00 N ATOM 36 CA GLN A 3 0.433 8.918 1.960 1.00 0.00 C ATOM 37 C GLN A 3 0.709 7.584 1.274 1.00 0.00 C ATOM 38 O GLN A 3 -0.205 6.793 1.039 1.00 0.00 O ATOM 39 CB GLN A 3 -1.042 9.294 1.811 1.00 0.00 C ATOM 40 CG GLN A 3 -1.663 9.837 3.086 1.00 0.00 C ATOM 41 CD GLN A 3 -2.455 8.790 3.843 1.00 0.00 C ATOM 42 OE1 GLN A 3 -3.655 8.946 4.069 1.00 0.00 O ATOM 43 NE2 GLN A 3 -1.785 7.713 4.238 1.00 0.00 N ATOM 0 H GLN A 3 0.935 10.370 0.534 1.00 0.00 H new ATOM 0 HA GLN A 3 0.665 8.813 3.020 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.140 10.040 1.023 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.602 8.415 1.490 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -0.876 10.228 3.731 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.317 10.673 2.839 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.791 7.626 4.029 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.265 6.973 4.751 1.00 0.00 H new ATOM 52 N ARG A 4 1.976 7.342 0.958 1.00 0.00 N ATOM 53 CA ARG A 4 2.379 6.106 0.297 1.00 0.00 C ATOM 54 C ARG A 4 2.817 5.059 1.315 1.00 0.00 C ATOM 55 O ARG A 4 4.011 4.848 1.530 1.00 0.00 O ATOM 56 CB ARG A 4 3.514 6.379 -0.691 1.00 0.00 C ATOM 57 CG ARG A 4 3.104 7.258 -1.862 1.00 0.00 C ATOM 58 CD ARG A 4 4.192 8.258 -2.219 1.00 0.00 C ATOM 59 NE ARG A 4 5.288 7.635 -2.959 1.00 0.00 N ATOM 60 CZ ARG A 4 6.223 8.320 -3.613 1.00 0.00 C ATOM 61 NH1 ARG A 4 6.200 9.646 -3.621 1.00 0.00 N ATOM 62 NH2 ARG A 4 7.183 7.675 -4.261 1.00 0.00 N ATOM 0 H ARG A 4 2.743 7.986 1.149 1.00 0.00 H new ATOM 0 HA ARG A 4 1.517 5.718 -0.246 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.339 6.856 -0.161 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.887 5.429 -1.074 1.00 0.00 H new ATOM 0 HG2 ARG A 4 2.885 6.633 -2.728 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.186 7.791 -1.614 1.00 0.00 H new ATOM 0 HD2 ARG A 4 3.763 9.063 -2.816 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.582 8.711 -1.307 1.00 0.00 H new ATOM 0 HE ARG A 4 5.339 6.616 -2.975 1.00 0.00 H new ATOM 0 HH11 ARG A 4 5.463 10.146 -3.124 1.00 0.00 H new ATOM 0 HH12 ARG A 4 6.919 10.166 -4.124 1.00 0.00 H new ATOM 0 HH21 ARG A 4 7.204 6.655 -4.258 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.900 8.199 -4.763 1.00 0.00 H new ATOM 76 N ILE A 5 1.843 4.411 1.944 1.00 0.00 N ATOM 77 CA ILE A 5 2.122 3.391 2.944 1.00 0.00 C ATOM 78 C ILE A 5 2.487 2.066 2.297 1.00 0.00 C ATOM 79 O ILE A 5 2.277 1.861 1.101 1.00 0.00 O ATOM 80 CB ILE A 5 0.906 3.171 3.868 1.00 0.00 C ATOM 81 CG1 ILE A 5 0.305 4.512 4.263 1.00 0.00 C ATOM 82 CG2 ILE A 5 1.306 2.381 5.105 1.00 0.00 C ATOM 83 CD1 ILE A 5 -1.206 4.505 4.335 1.00 0.00 C ATOM 0 H ILE A 5 0.850 4.576 1.777 1.00 0.00 H new ATOM 0 HA ILE A 5 2.967 3.750 3.532 1.00 0.00 H new ATOM 0 HB ILE A 5 0.156 2.594 3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.705 4.807 5.233 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.622 5.268 3.544 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.434 2.237 5.743 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.700 1.410 4.805 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.071 2.929 5.655 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.561 5.495 4.622 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.616 4.241 3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.532 3.774 5.075 1.00 0.00 H new ATOM 95 N THR A 6 3.034 1.176 3.103 1.00 0.00 N ATOM 96 CA THR A 6 3.437 -0.145 2.631 1.00 0.00 C ATOM 97 C THR A 6 2.270 -1.125 2.706 1.00 0.00 C ATOM 98 O THR A 6 1.449 -1.060 3.621 1.00 0.00 O ATOM 99 CB THR A 6 4.617 -0.669 3.455 1.00 0.00 C ATOM 100 OG1 THR A 6 4.739 0.050 4.671 1.00 0.00 O ATOM 101 CG2 THR A 6 5.942 -0.573 2.731 1.00 0.00 C ATOM 0 H THR A 6 3.212 1.340 4.094 1.00 0.00 H new ATOM 0 HA THR A 6 3.746 -0.054 1.590 1.00 0.00 H new ATOM 0 HB THR A 6 4.396 -1.721 3.638 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.967 -0.569 5.396 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.735 -0.961 3.371 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.898 -1.158 1.812 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.149 0.469 2.488 1.00 0.00 H new ATOM 109 N LEU A 7 2.202 -2.032 1.737 1.00 0.00 N ATOM 110 CA LEU A 7 1.135 -3.025 1.692 1.00 0.00 C ATOM 111 C LEU A 7 1.106 -3.853 2.974 1.00 0.00 C ATOM 112 O LEU A 7 0.038 -4.213 3.468 1.00 0.00 O ATOM 113 CB LEU A 7 1.312 -3.945 0.483 1.00 0.00 C ATOM 114 CG LEU A 7 0.221 -5.002 0.306 1.00 0.00 C ATOM 115 CD1 LEU A 7 -1.045 -4.373 -0.256 1.00 0.00 C ATOM 116 CD2 LEU A 7 0.708 -6.125 -0.598 1.00 0.00 C ATOM 0 H LEU A 7 2.873 -2.100 0.972 1.00 0.00 H new ATOM 0 HA LEU A 7 0.187 -2.495 1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.352 -3.332 -0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.274 -4.450 0.568 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.011 -5.425 1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.810 -5.140 -0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.405 -3.605 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.828 -3.923 -1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.081 -6.868 -0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.968 -5.718 -1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.586 -6.594 -0.155 1.00 0.00 H new ATOM 128 N LYS A 8 2.287 -4.149 3.506 1.00 0.00 N ATOM 129 CA LYS A 8 2.397 -4.932 4.731 1.00 0.00 C ATOM 130 C LYS A 8 1.727 -4.216 5.899 1.00 0.00 C ATOM 131 O LYS A 8 1.209 -4.852 6.817 1.00 0.00 O ATOM 132 CB LYS A 8 3.867 -5.200 5.057 1.00 0.00 C ATOM 133 CG LYS A 8 4.070 -6.259 6.128 1.00 0.00 C ATOM 134 CD LYS A 8 5.511 -6.738 6.174 1.00 0.00 C ATOM 135 CE LYS A 8 5.832 -7.650 5.001 1.00 0.00 C ATOM 136 NZ LYS A 8 5.449 -9.063 5.273 1.00 0.00 N ATOM 0 H LYS A 8 3.180 -3.859 3.109 1.00 0.00 H new ATOM 0 HA LYS A 8 1.887 -5.882 4.572 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.381 -5.512 4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.333 -4.271 5.384 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.790 -5.853 7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.411 -7.105 5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.182 -5.879 6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.689 -7.269 7.109 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.308 -7.297 4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.899 -7.599 4.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.685 -9.651 4.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.968 -9.409 6.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.427 -9.117 5.456 1.00 0.00 H new ATOM 150 N ASP A 9 1.740 -2.887 5.856 1.00 0.00 N ATOM 151 CA ASP A 9 1.134 -2.082 6.910 1.00 0.00 C ATOM 152 C ASP A 9 -0.370 -1.949 6.697 1.00 0.00 C ATOM 153 O ASP A 9 -1.157 -2.139 7.623 1.00 0.00 O ATOM 154 CB ASP A 9 1.777 -0.695 6.956 1.00 0.00 C ATOM 155 CG ASP A 9 3.183 -0.728 7.522 1.00 0.00 C ATOM 156 OD1 ASP A 9 4.112 -1.116 6.780 1.00 0.00 O ATOM 157 OD2 ASP A 9 3.356 -0.369 8.704 1.00 0.00 O ATOM 0 H ASP A 9 2.164 -2.345 5.103 1.00 0.00 H new ATOM 0 HA ASP A 9 1.306 -2.587 7.861 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.803 -0.276 5.950 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.160 -0.031 7.562 1.00 0.00 H new ATOM 162 N TYR A 10 -0.763 -1.621 5.470 1.00 0.00 N ATOM 163 CA TYR A 10 -2.173 -1.460 5.135 1.00 0.00 C ATOM 164 C TYR A 10 -2.951 -2.743 5.413 1.00 0.00 C ATOM 165 O TYR A 10 -4.104 -2.699 5.843 1.00 0.00 O ATOM 166 CB TYR A 10 -2.326 -1.066 3.665 1.00 0.00 C ATOM 167 CG TYR A 10 -3.689 -0.502 3.329 1.00 0.00 C ATOM 168 CD1 TYR A 10 -4.822 -1.303 3.369 1.00 0.00 C ATOM 169 CD2 TYR A 10 -3.839 0.832 2.971 1.00 0.00 C ATOM 170 CE1 TYR A 10 -6.068 -0.791 3.061 1.00 0.00 C ATOM 171 CE2 TYR A 10 -5.082 1.351 2.662 1.00 0.00 C ATOM 172 CZ TYR A 10 -6.193 0.537 2.709 1.00 0.00 C ATOM 173 OH TYR A 10 -7.432 1.050 2.404 1.00 0.00 O ATOM 0 H TYR A 10 -0.124 -1.462 4.691 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.581 -0.668 5.762 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.564 -0.328 3.414 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.140 -1.941 3.042 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.728 -2.343 3.645 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.971 1.473 2.934 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.940 -1.427 3.096 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.182 2.390 2.385 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.105 0.340 2.467 1.00 0.00 H new ATOM 183 N ALA A 11 -2.316 -3.883 5.163 1.00 0.00 N ATOM 184 CA ALA A 11 -2.950 -5.177 5.386 1.00 0.00 C ATOM 185 C ALA A 11 -3.114 -5.461 6.875 1.00 0.00 C ATOM 186 O ALA A 11 -4.213 -5.764 7.342 1.00 0.00 O ATOM 187 CB ALA A 11 -2.143 -6.281 4.721 1.00 0.00 C ATOM 0 H ALA A 11 -1.362 -3.937 4.806 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.944 -5.148 4.939 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.628 -7.242 4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.084 -6.094 3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.137 -6.300 5.141 1.00 0.00 H new ATOM 193 N MET A 12 -2.015 -5.367 7.616 1.00 0.00 N ATOM 194 CA MET A 12 -2.037 -5.618 9.051 1.00 0.00 C ATOM 195 C MET A 12 -2.784 -4.514 9.795 1.00 0.00 C ATOM 196 O MET A 12 -3.304 -4.731 10.890 1.00 0.00 O ATOM 197 CB MET A 12 -0.609 -5.740 9.588 1.00 0.00 C ATOM 198 CG MET A 12 -0.229 -7.155 9.987 1.00 0.00 C ATOM 199 SD MET A 12 1.408 -7.631 9.397 1.00 0.00 S ATOM 200 CE MET A 12 0.976 -8.799 8.109 1.00 0.00 C ATOM 0 H MET A 12 -1.098 -5.119 7.246 1.00 0.00 H new ATOM 0 HA MET A 12 -2.565 -6.557 9.220 1.00 0.00 H new ATOM 0 HB2 MET A 12 0.088 -5.386 8.828 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.497 -5.085 10.452 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.258 -7.242 11.073 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.969 -7.850 9.592 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.885 -9.184 7.647 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.411 -9.625 8.541 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.369 -8.300 7.354 1.00 0.00 H new ATOM 210 N ARG A 13 -2.828 -3.334 9.196 1.00 0.00 N ATOM 211 CA ARG A 13 -3.506 -2.191 9.800 1.00 0.00 C ATOM 212 C ARG A 13 -4.971 -2.131 9.379 1.00 0.00 C ATOM 213 O ARG A 13 -5.871 -2.245 10.213 1.00 0.00 O ATOM 214 CB ARG A 13 -2.803 -0.891 9.409 1.00 0.00 C ATOM 215 CG ARG A 13 -3.287 0.321 10.189 1.00 0.00 C ATOM 216 CD ARG A 13 -2.259 0.774 11.213 1.00 0.00 C ATOM 217 NE ARG A 13 -2.691 1.973 11.928 1.00 0.00 N ATOM 218 CZ ARG A 13 -2.719 3.189 11.389 1.00 0.00 C ATOM 219 NH1 ARG A 13 -2.339 3.373 10.130 1.00 0.00 N ATOM 220 NH2 ARG A 13 -3.125 4.226 12.110 1.00 0.00 N ATOM 0 H ARG A 13 -2.402 -3.140 8.290 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.465 -2.313 10.882 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.730 -1.007 9.563 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.954 -0.712 8.345 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.499 1.138 9.499 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.222 0.080 10.694 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.080 -0.030 11.927 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.311 0.972 10.712 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.989 1.872 12.898 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.024 2.580 9.571 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.362 4.307 9.722 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.416 4.091 13.078 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.146 5.158 11.696 1.00 0.00 H new ATOM 234 N PHE A 14 -5.202 -1.938 8.085 1.00 0.00 N ATOM 235 CA PHE A 14 -6.544 -1.843 7.549 1.00 0.00 C ATOM 236 C PHE A 14 -7.068 -3.203 7.089 1.00 0.00 C ATOM 237 O PHE A 14 -7.972 -3.277 6.258 1.00 0.00 O ATOM 238 CB PHE A 14 -6.534 -0.865 6.385 1.00 0.00 C ATOM 239 CG PHE A 14 -6.252 0.548 6.804 1.00 0.00 C ATOM 240 CD1 PHE A 14 -7.269 1.370 7.255 1.00 0.00 C ATOM 241 CD2 PHE A 14 -4.964 1.056 6.754 1.00 0.00 C ATOM 242 CE1 PHE A 14 -7.009 2.660 7.644 1.00 0.00 C ATOM 243 CE2 PHE A 14 -4.702 2.344 7.141 1.00 0.00 C ATOM 244 CZ PHE A 14 -5.725 3.143 7.585 1.00 0.00 C ATOM 0 H PHE A 14 -4.465 -1.844 7.386 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.211 -1.490 8.336 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.782 -1.179 5.661 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.499 -0.902 5.879 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.280 0.992 7.302 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.157 0.429 6.406 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.811 3.293 7.995 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.694 2.729 7.097 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.519 4.158 7.890 1.00 0.00 H new ATOM 254 N GLY A 15 -6.499 -4.276 7.631 1.00 0.00 N ATOM 255 CA GLY A 15 -6.930 -5.610 7.256 1.00 0.00 C ATOM 256 C GLY A 15 -6.713 -5.897 5.783 1.00 0.00 C ATOM 257 O GLY A 15 -6.757 -4.991 4.953 1.00 0.00 O ATOM 0 H GLY A 15 -5.749 -4.245 8.322 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.386 -6.345 7.850 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.987 -5.727 7.494 1.00 0.00 H new ATOM 261 N GLN A 16 -6.476 -7.164 5.458 1.00 0.00 N ATOM 262 CA GLN A 16 -6.250 -7.569 4.075 1.00 0.00 C ATOM 263 C GLN A 16 -7.520 -7.409 3.245 1.00 0.00 C ATOM 264 O GLN A 16 -7.458 -7.160 2.040 1.00 0.00 O ATOM 265 CB GLN A 16 -5.769 -9.020 4.019 1.00 0.00 C ATOM 266 CG GLN A 16 -4.270 -9.173 4.219 1.00 0.00 C ATOM 267 CD GLN A 16 -3.914 -9.656 5.611 1.00 0.00 C ATOM 268 OE1 GLN A 16 -4.200 -8.989 6.605 1.00 0.00 O ATOM 269 NE2 GLN A 16 -3.285 -10.823 5.689 1.00 0.00 N ATOM 0 H GLN A 16 -6.435 -7.928 6.133 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.480 -6.922 3.655 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.290 -9.596 4.784 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.044 -9.448 3.055 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.879 -9.876 3.483 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.783 -8.215 4.035 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.067 -11.343 4.839 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.020 -11.199 6.599 1.00 0.00 H new ATOM 278 N THR A 17 -8.670 -7.554 3.895 1.00 0.00 N ATOM 279 CA THR A 17 -9.953 -7.426 3.215 1.00 0.00 C ATOM 280 C THR A 17 -10.150 -6.013 2.678 1.00 0.00 C ATOM 281 O THR A 17 -10.380 -5.818 1.486 1.00 0.00 O ATOM 282 CB THR A 17 -11.090 -7.785 4.166 1.00 0.00 C ATOM 283 OG1 THR A 17 -10.920 -9.090 4.693 1.00 0.00 O ATOM 284 CG2 THR A 17 -12.460 -7.734 3.512 1.00 0.00 C ATOM 0 H THR A 17 -8.739 -7.760 4.892 1.00 0.00 H new ATOM 0 HA THR A 17 -9.959 -8.116 2.371 1.00 0.00 H new ATOM 0 HB THR A 17 -11.048 -7.033 4.954 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.660 -9.296 5.301 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.223 -8.000 4.244 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.649 -6.727 3.141 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.493 -8.439 2.681 1.00 0.00 H new ATOM 292 N LYS A 18 -10.050 -5.028 3.565 1.00 0.00 N ATOM 293 CA LYS A 18 -10.220 -3.631 3.180 1.00 0.00 C ATOM 294 C LYS A 18 -9.204 -3.228 2.116 1.00 0.00 C ATOM 295 O LYS A 18 -9.484 -2.384 1.265 1.00 0.00 O ATOM 296 CB LYS A 18 -10.080 -2.724 4.404 1.00 0.00 C ATOM 297 CG LYS A 18 -10.940 -1.478 4.339 1.00 0.00 C ATOM 298 CD LYS A 18 -11.100 -0.831 5.706 1.00 0.00 C ATOM 299 CE LYS A 18 -10.980 0.683 5.627 1.00 0.00 C ATOM 300 NZ LYS A 18 -12.130 1.364 6.291 1.00 0.00 N ATOM 0 H LYS A 18 -9.852 -5.171 4.555 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.220 -3.516 2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.343 -3.290 5.297 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.036 -2.429 4.510 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.493 -0.763 3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.922 -1.734 3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.071 -1.098 6.124 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.342 -1.222 6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.049 0.999 6.098 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.929 0.990 4.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.013 2.395 6.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.016 1.082 5.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.163 1.091 7.294 1.00 0.00 H new ATOM 314 N THR A 19 -8.023 -3.837 2.171 1.00 0.00 N ATOM 315 CA THR A 19 -6.966 -3.540 1.212 1.00 0.00 C ATOM 316 C THR A 19 -7.420 -3.846 -0.213 1.00 0.00 C ATOM 317 O THR A 19 -7.234 -3.036 -1.121 1.00 0.00 O ATOM 318 CB THR A 19 -5.708 -4.344 1.542 1.00 0.00 C ATOM 319 OG1 THR A 19 -5.461 -4.338 2.936 1.00 0.00 O ATOM 320 CG2 THR A 19 -4.467 -3.822 0.853 1.00 0.00 C ATOM 0 H THR A 19 -7.775 -4.538 2.869 1.00 0.00 H new ATOM 0 HA THR A 19 -6.738 -2.476 1.280 1.00 0.00 H new ATOM 0 HB THR A 19 -5.907 -5.353 1.181 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.080 -4.955 3.380 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.611 -4.437 1.130 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.607 -3.861 -0.227 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.287 -2.791 1.159 1.00 0.00 H new ATOM 328 N ALA A 20 -8.014 -5.020 -0.400 1.00 0.00 N ATOM 329 CA ALA A 20 -8.493 -5.432 -1.714 1.00 0.00 C ATOM 330 C ALA A 20 -9.759 -4.676 -2.104 1.00 0.00 C ATOM 331 O ALA A 20 -10.020 -4.462 -3.287 1.00 0.00 O ATOM 332 CB ALA A 20 -8.745 -6.933 -1.734 1.00 0.00 C ATOM 0 H ALA A 20 -8.175 -5.702 0.341 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.721 -5.192 -2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.102 -7.229 -2.720 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.818 -7.461 -1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.496 -7.186 -0.985 1.00 0.00 H new ATOM 338 N LYS A 21 -10.530 -4.274 -1.103 1.00 0.00 N ATOM 339 CA LYS A 21 -11.770 -3.542 -1.344 1.00 0.00 C ATOM 340 C LYS A 21 -11.480 -2.096 -1.736 1.00 0.00 C ATOM 341 O LYS A 21 -12.110 -1.557 -2.651 1.00 0.00 O ATOM 342 CB LYS A 21 -12.660 -3.580 -0.101 1.00 0.00 C ATOM 343 CG LYS A 21 -14.070 -3.056 -0.342 1.00 0.00 C ATOM 344 CD LYS A 21 -14.610 -2.331 0.878 1.00 0.00 C ATOM 345 CE LYS A 21 -16.120 -2.203 0.824 1.00 0.00 C ATOM 346 NZ LYS A 21 -16.550 -0.855 0.355 1.00 0.00 N ATOM 0 H LYS A 21 -10.321 -4.441 -0.119 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.294 -4.024 -2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.720 -4.606 0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.193 -2.991 0.688 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.067 -2.380 -1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.730 -3.886 -0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.321 -2.870 1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.162 -1.340 0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.525 -2.965 0.158 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.535 -2.392 1.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.589 -0.810 0.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.186 -0.129 1.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.176 -0.684 -0.600 1.00 0.00 H new ATOM 360 N ASP A 22 -10.540 -1.473 -1.040 1.00 0.00 N ATOM 361 CA ASP A 22 -10.180 -0.090 -1.313 1.00 0.00 C ATOM 362 C ASP A 22 -9.503 0.038 -2.676 1.00 0.00 C ATOM 363 O ASP A 22 -9.694 1.026 -3.384 1.00 0.00 O ATOM 364 CB ASP A 22 -9.252 0.436 -0.218 1.00 0.00 C ATOM 365 CG ASP A 22 -9.986 1.285 0.801 1.00 0.00 C ATOM 366 OD1 ASP A 22 -10.420 2.396 0.441 1.00 0.00 O ATOM 367 OD2 ASP A 22 -10.120 0.839 1.961 1.00 0.00 O ATOM 0 H ASP A 22 -10.012 -1.904 -0.281 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.093 0.505 -1.326 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.777 -0.405 0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.456 1.025 -0.672 1.00 0.00 H new ATOM 372 N LEU A 23 -8.713 -0.968 -3.037 1.00 0.00 N ATOM 373 CA LEU A 23 -8.010 -0.965 -4.313 1.00 0.00 C ATOM 374 C LEU A 23 -8.931 -1.403 -5.446 1.00 0.00 C ATOM 375 O LEU A 23 -9.308 -0.600 -6.300 1.00 0.00 O ATOM 376 CB LEU A 23 -6.789 -1.885 -4.249 1.00 0.00 C ATOM 377 CG LEU A 23 -5.501 -1.217 -3.758 1.00 0.00 C ATOM 378 CD1 LEU A 23 -5.258 -1.536 -2.291 1.00 0.00 C ATOM 379 CD2 LEU A 23 -4.315 -1.657 -4.604 1.00 0.00 C ATOM 0 H LEU A 23 -8.544 -1.795 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.680 0.054 -4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.019 -2.724 -3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.611 -2.297 -5.242 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.614 -0.138 -3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.339 -1.053 -1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.094 -1.170 -1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.167 -2.615 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.409 -1.172 -4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.200 -2.739 -4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.485 -1.376 -5.643 1.00 0.00 H new ATOM 391 N GLY A 24 -9.291 -2.682 -5.448 1.00 0.00 N ATOM 392 CA GLY A 24 -10.160 -3.206 -6.481 1.00 0.00 C ATOM 393 C GLY A 24 -9.959 -4.689 -6.720 1.00 0.00 C ATOM 394 O GLY A 24 -10.860 -5.381 -7.191 1.00 0.00 O ATOM 0 H GLY A 24 -8.995 -3.365 -4.751 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.198 -3.025 -6.203 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.980 -2.665 -7.410 1.00 0.00 H new ATOM 398 N VAL A 25 -8.766 -5.178 -6.395 1.00 0.00 N ATOM 399 CA VAL A 25 -8.442 -6.587 -6.577 1.00 0.00 C ATOM 400 C VAL A 25 -9.013 -7.432 -5.443 1.00 0.00 C ATOM 401 O VAL A 25 -9.652 -6.910 -4.530 1.00 0.00 O ATOM 402 CB VAL A 25 -6.920 -6.808 -6.649 1.00 0.00 C ATOM 403 CG1 VAL A 25 -6.364 -6.282 -7.963 1.00 0.00 C ATOM 404 CG2 VAL A 25 -6.228 -6.148 -5.466 1.00 0.00 C ATOM 0 H VAL A 25 -8.008 -4.618 -6.004 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.892 -6.896 -7.520 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.725 -7.879 -6.603 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.287 -6.447 -7.995 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.836 -6.806 -8.794 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.570 -5.215 -8.044 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.153 -6.315 -5.534 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.430 -5.077 -5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.604 -6.579 -4.538 1.00 0.00 H new ATOM 414 N GLN A 26 -8.779 -8.738 -5.508 1.00 0.00 N ATOM 415 CA GLN A 26 -9.270 -9.654 -4.487 1.00 0.00 C ATOM 416 C GLN A 26 -8.186 -9.948 -3.456 1.00 0.00 C ATOM 417 O GLN A 26 -7.041 -9.523 -3.606 1.00 0.00 O ATOM 418 CB GLN A 26 -9.748 -10.958 -5.128 1.00 0.00 C ATOM 419 CG GLN A 26 -8.652 -11.709 -5.867 1.00 0.00 C ATOM 420 CD GLN A 26 -8.888 -11.764 -7.364 1.00 0.00 C ATOM 421 OE1 GLN A 26 -10.010 -11.937 -7.820 1.00 0.00 O ATOM 422 NE2 GLN A 26 -7.819 -11.616 -8.137 1.00 0.00 N ATOM 0 H GLN A 26 -8.252 -9.186 -6.258 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.110 -9.178 -3.980 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.161 -11.604 -4.353 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.558 -10.736 -5.823 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.693 -11.229 -5.672 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.586 -12.724 -5.476 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.901 -11.474 -7.716 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.916 -11.644 -9.152 1.00 0.00 H new ATOM 431 N GLN A 27 -8.555 -10.679 -2.411 1.00 0.00 N ATOM 432 CA GLN A 27 -7.614 -11.033 -1.354 1.00 0.00 C ATOM 433 C GLN A 27 -6.569 -12.022 -1.858 1.00 0.00 C ATOM 434 O GLN A 27 -5.476 -12.122 -1.302 1.00 0.00 O ATOM 435 CB GLN A 27 -8.358 -11.625 -0.156 1.00 0.00 C ATOM 436 CG GLN A 27 -9.469 -10.730 0.372 1.00 0.00 C ATOM 437 CD GLN A 27 -10.830 -11.376 0.273 1.00 0.00 C ATOM 438 OE1 GLN A 27 -11.200 -11.932 -0.763 1.00 0.00 O ATOM 439 NE2 GLN A 27 -11.600 -11.307 1.356 1.00 0.00 N ATOM 0 H GLN A 27 -9.499 -11.039 -2.272 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.102 -10.123 -1.042 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.783 -12.587 -0.442 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.645 -11.817 0.646 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.265 -10.479 1.413 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.473 -9.794 -0.187 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.259 -10.838 2.195 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.531 -11.723 1.347 1.00 0.00 H new ATOM 448 N SER A 28 -6.912 -12.749 -2.914 1.00 0.00 N ATOM 449 CA SER A 28 -6.006 -13.731 -3.494 1.00 0.00 C ATOM 450 C SER A 28 -4.769 -13.054 -4.075 1.00 0.00 C ATOM 451 O SER A 28 -3.682 -13.634 -4.094 1.00 0.00 O ATOM 452 CB SER A 28 -6.720 -14.534 -4.583 1.00 0.00 C ATOM 453 OG SER A 28 -8.078 -14.755 -4.247 1.00 0.00 O ATOM 0 H SER A 28 -7.813 -12.676 -3.387 1.00 0.00 H new ATOM 0 HA SER A 28 -5.689 -14.408 -2.701 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.659 -14.000 -5.531 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.217 -15.491 -4.723 1.00 0.00 H new ATOM 0 HG SER A 28 -8.512 -15.269 -4.960 1.00 0.00 H new ATOM 459 N ALA A 29 -4.939 -11.823 -4.548 1.00 0.00 N ATOM 460 CA ALA A 29 -3.836 -11.070 -5.130 1.00 0.00 C ATOM 461 C ALA A 29 -2.993 -10.403 -4.050 1.00 0.00 C ATOM 462 O ALA A 29 -1.764 -10.423 -4.108 1.00 0.00 O ATOM 463 CB ALA A 29 -4.365 -10.029 -6.107 1.00 0.00 C ATOM 0 H ALA A 29 -5.830 -11.327 -4.539 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.198 -11.770 -5.670 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.530 -9.474 -6.534 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.917 -10.526 -6.905 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.028 -9.341 -5.582 1.00 0.00 H new ATOM 469 N ILE A 30 -3.659 -9.815 -3.061 1.00 0.00 N ATOM 470 CA ILE A 30 -2.964 -9.146 -1.967 1.00 0.00 C ATOM 471 C ILE A 30 -2.028 -10.111 -1.251 1.00 0.00 C ATOM 472 O ILE A 30 -0.849 -9.817 -1.054 1.00 0.00 O ATOM 473 CB ILE A 30 -3.953 -8.549 -0.946 1.00 0.00 C ATOM 474 CG1 ILE A 30 -5.005 -7.693 -1.655 1.00 0.00 C ATOM 475 CG2 ILE A 30 -3.209 -7.725 0.095 1.00 0.00 C ATOM 476 CD1 ILE A 30 -4.416 -6.606 -2.528 1.00 0.00 C ATOM 0 H ILE A 30 -4.676 -9.788 -2.995 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.384 -8.334 -2.407 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.462 -9.369 -0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.633 -8.339 -2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.653 -7.235 -0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.922 -7.311 0.808 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.497 -8.361 0.621 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.675 -6.913 -0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.221 -6.041 -2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.811 -5.936 -1.917 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.791 -7.057 -3.299 1.00 0.00 H new ATOM 488 N ASN A 31 -2.557 -11.268 -0.871 1.00 0.00 N ATOM 489 CA ASN A 31 -1.762 -12.279 -0.189 1.00 0.00 C ATOM 490 C ASN A 31 -0.608 -12.730 -1.075 1.00 0.00 C ATOM 491 O ASN A 31 0.488 -13.007 -0.592 1.00 0.00 O ATOM 492 CB ASN A 31 -2.634 -13.478 0.189 1.00 0.00 C ATOM 493 CG ASN A 31 -3.407 -13.248 1.473 1.00 0.00 C ATOM 494 OD1 ASN A 31 -4.338 -12.444 1.515 1.00 0.00 O ATOM 495 ND2 ASN A 31 -3.024 -13.957 2.529 1.00 0.00 N ATOM 0 H ASN A 31 -3.531 -11.528 -1.024 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.355 -11.842 0.723 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.333 -13.685 -0.621 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.005 -14.361 0.300 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.507 -13.846 3.420 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.247 -14.612 2.449 1.00 0.00 H new ATOM 502 N LYS A 32 -0.869 -12.795 -2.378 1.00 0.00 N ATOM 503 CA LYS A 32 0.139 -13.207 -3.343 1.00 0.00 C ATOM 504 C LYS A 32 1.285 -12.204 -3.400 1.00 0.00 C ATOM 505 O LYS A 32 2.433 -12.568 -3.651 1.00 0.00 O ATOM 506 CB LYS A 32 -0.490 -13.357 -4.730 1.00 0.00 C ATOM 507 CG LYS A 32 -0.476 -14.781 -5.253 1.00 0.00 C ATOM 508 CD LYS A 32 -1.558 -15.004 -6.298 1.00 0.00 C ATOM 509 CE LYS A 32 -1.406 -16.353 -6.982 1.00 0.00 C ATOM 510 NZ LYS A 32 -1.447 -16.232 -8.465 1.00 0.00 N ATOM 0 H LYS A 32 -1.774 -12.566 -2.788 1.00 0.00 H new ATOM 0 HA LYS A 32 0.540 -14.169 -3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.520 -13.003 -4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.042 -12.716 -5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.500 -15.001 -5.686 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.621 -15.475 -4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.539 -14.943 -5.826 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.514 -14.210 -7.044 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.462 -16.808 -6.681 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.202 -17.020 -6.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.340 -17.174 -8.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.357 -15.821 -8.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.672 -15.616 -8.785 1.00 0.00 H new ATOM 524 N TRP A 33 0.957 -10.943 -3.173 1.00 0.00 N ATOM 525 CA TRP A 33 1.936 -9.878 -3.203 1.00 0.00 C ATOM 526 C TRP A 33 2.897 -9.978 -2.024 1.00 0.00 C ATOM 527 O TRP A 33 4.113 -9.898 -2.192 1.00 0.00 O ATOM 528 CB TRP A 33 1.194 -8.554 -3.188 1.00 0.00 C ATOM 529 CG TRP A 33 0.435 -8.311 -4.442 1.00 0.00 C ATOM 530 CD1 TRP A 33 0.569 -9.003 -5.592 1.00 0.00 C ATOM 531 CD2 TRP A 33 -0.581 -7.337 -4.668 1.00 0.00 C ATOM 532 NE1 TRP A 33 -0.290 -8.517 -6.544 1.00 0.00 N ATOM 533 CE2 TRP A 33 -1.011 -7.487 -5.998 1.00 0.00 C ATOM 534 CE3 TRP A 33 -1.164 -6.353 -3.876 1.00 0.00 C ATOM 535 CZ2 TRP A 33 -1.999 -6.685 -6.555 1.00 0.00 C ATOM 536 CZ3 TRP A 33 -2.150 -5.553 -4.427 1.00 0.00 C ATOM 537 CH2 TRP A 33 -2.558 -5.723 -5.758 1.00 0.00 C ATOM 0 H TRP A 33 0.008 -10.633 -2.964 1.00 0.00 H new ATOM 0 HA TRP A 33 2.538 -9.958 -4.108 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.507 -8.536 -2.342 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.907 -7.744 -3.036 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.255 -9.823 -5.742 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -0.378 -8.864 -7.499 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.853 -6.216 -2.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.315 -6.816 -7.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -2.612 -4.786 -3.823 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.328 -5.082 -6.162 1.00 0.00 H new ATOM 548 N ILE A 34 2.342 -10.161 -0.832 1.00 0.00 N ATOM 549 CA ILE A 34 3.150 -10.281 0.376 1.00 0.00 C ATOM 550 C ILE A 34 3.750 -11.680 0.496 1.00 0.00 C ATOM 551 O ILE A 34 4.741 -11.881 1.197 1.00 0.00 O ATOM 552 CB ILE A 34 2.320 -9.979 1.640 1.00 0.00 C ATOM 553 CG1 ILE A 34 1.564 -8.657 1.481 1.00 0.00 C ATOM 554 CG2 ILE A 34 3.218 -9.940 2.870 1.00 0.00 C ATOM 555 CD1 ILE A 34 0.141 -8.711 1.990 1.00 0.00 C ATOM 0 H ILE A 34 1.336 -10.230 -0.676 1.00 0.00 H new ATOM 0 HA ILE A 34 3.953 -9.548 0.296 1.00 0.00 H new ATOM 0 HB ILE A 34 1.590 -10.777 1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.103 -7.873 2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.554 -8.378 0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.616 -9.726 3.753 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.710 -10.905 2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.971 -9.162 2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.334 -7.741 1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.413 -9.472 1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.143 -8.960 3.051 1.00 0.00 H new ATOM 567 N HIS A 35 3.143 -12.643 -0.193 1.00 0.00 N ATOM 568 CA HIS A 35 3.617 -14.023 -0.164 1.00 0.00 C ATOM 569 C HIS A 35 4.953 -14.156 -0.879 1.00 0.00 C ATOM 570 O HIS A 35 5.811 -14.945 -0.482 1.00 0.00 O ATOM 571 CB HIS A 35 2.588 -14.943 -0.820 1.00 0.00 C ATOM 572 CG HIS A 35 1.702 -15.651 0.155 1.00 0.00 C ATOM 573 ND1 HIS A 35 1.607 -15.297 1.485 1.00 0.00 N ATOM 574 CD2 HIS A 35 0.867 -16.700 -0.015 1.00 0.00 C ATOM 575 CE1 HIS A 35 0.749 -16.100 2.091 1.00 0.00 C ATOM 576 NE2 HIS A 35 0.287 -16.960 1.204 1.00 0.00 N ATOM 0 H HIS A 35 2.321 -12.492 -0.778 1.00 0.00 H new ATOM 0 HA HIS A 35 3.753 -14.313 0.878 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.969 -14.355 -1.498 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.110 -15.683 -1.426 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.689 -17.234 -0.936 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.473 -16.059 3.134 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.391 -17.699 1.392 1.00 0.00 H new ATOM 585 N ALA A 36 5.116 -13.381 -1.937 1.00 0.00 N ATOM 586 CA ALA A 36 6.340 -13.404 -2.726 1.00 0.00 C ATOM 587 C ALA A 36 7.269 -12.253 -2.351 1.00 0.00 C ATOM 588 O ALA A 36 8.460 -12.281 -2.657 1.00 0.00 O ATOM 589 CB ALA A 36 6.004 -13.356 -4.209 1.00 0.00 C ATOM 0 H ALA A 36 4.412 -12.723 -2.273 1.00 0.00 H new ATOM 0 HA ALA A 36 6.865 -14.334 -2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.925 -13.374 -4.792 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.392 -14.219 -4.472 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.454 -12.441 -4.428 1.00 0.00 H new ATOM 595 N GLY A 37 6.720 -11.243 -1.683 1.00 0.00 N ATOM 596 CA GLY A 37 7.520 -10.102 -1.277 1.00 0.00 C ATOM 597 C GLY A 37 7.486 -8.975 -2.291 1.00 0.00 C ATOM 598 O GLY A 37 8.428 -8.188 -2.385 1.00 0.00 O ATOM 0 H GLY A 37 5.737 -11.194 -1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.159 -9.733 -0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.552 -10.421 -1.128 1.00 0.00 H new ATOM 602 N ARG A 38 6.398 -8.896 -3.050 1.00 0.00 N ATOM 603 CA ARG A 38 6.247 -7.854 -4.059 1.00 0.00 C ATOM 604 C ARG A 38 6.142 -6.479 -3.407 1.00 0.00 C ATOM 605 O ARG A 38 5.095 -6.112 -2.874 1.00 0.00 O ATOM 606 CB ARG A 38 5.008 -8.122 -4.916 1.00 0.00 C ATOM 607 CG ARG A 38 5.088 -7.509 -6.305 1.00 0.00 C ATOM 608 CD ARG A 38 3.781 -7.677 -7.064 1.00 0.00 C ATOM 609 NE ARG A 38 3.825 -7.038 -8.376 1.00 0.00 N ATOM 610 CZ ARG A 38 2.742 -6.722 -9.084 1.00 0.00 C ATOM 611 NH1 ARG A 38 1.532 -6.984 -8.610 1.00 0.00 N ATOM 612 NH2 ARG A 38 2.871 -6.140 -10.269 1.00 0.00 N ATOM 0 H ARG A 38 5.609 -9.540 -2.986 1.00 0.00 H new ATOM 0 HA ARG A 38 7.131 -7.867 -4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.867 -9.199 -5.010 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.130 -7.729 -4.404 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.329 -6.449 -6.223 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.898 -7.977 -6.865 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.566 -8.739 -7.185 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.965 -7.251 -6.480 1.00 0.00 H new ATOM 0 HE ARG A 38 4.739 -6.821 -8.774 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.427 -7.430 -7.699 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.706 -6.740 -9.157 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.799 -5.935 -10.638 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.042 -5.898 -10.811 1.00 0.00 H new ATOM 626 N LYS A 39 7.236 -5.725 -3.451 1.00 0.00 N ATOM 627 CA LYS A 39 7.267 -4.391 -2.863 1.00 0.00 C ATOM 628 C LYS A 39 6.246 -3.477 -3.531 1.00 0.00 C ATOM 629 O LYS A 39 6.250 -3.310 -4.751 1.00 0.00 O ATOM 630 CB LYS A 39 8.670 -3.791 -2.986 1.00 0.00 C ATOM 631 CG LYS A 39 9.363 -3.589 -1.648 1.00 0.00 C ATOM 632 CD LYS A 39 10.846 -3.911 -1.734 1.00 0.00 C ATOM 633 CE LYS A 39 11.668 -2.985 -0.852 1.00 0.00 C ATOM 634 NZ LYS A 39 13.109 -3.364 -0.838 1.00 0.00 N ATOM 0 H LYS A 39 8.111 -6.015 -3.887 1.00 0.00 H new ATOM 0 HA LYS A 39 7.009 -4.479 -1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.282 -4.444 -3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.603 -2.832 -3.500 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.232 -2.557 -1.321 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.895 -4.223 -0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.013 -4.945 -1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.180 -3.822 -2.768 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.566 -1.960 -1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.276 -3.010 0.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.635 -2.708 -0.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.210 -4.333 -0.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.490 -3.315 -1.804 1.00 0.00 H new ATOM 648 N ILE A 40 5.370 -2.887 -2.724 1.00 0.00 N ATOM 649 CA ILE A 40 4.342 -1.989 -3.238 1.00 0.00 C ATOM 650 C ILE A 40 3.967 -0.935 -2.201 1.00 0.00 C ATOM 651 O ILE A 40 4.183 -1.120 -1.003 1.00 0.00 O ATOM 652 CB ILE A 40 3.075 -2.764 -3.650 1.00 0.00 C ATOM 653 CG1 ILE A 40 3.431 -3.876 -4.639 1.00 0.00 C ATOM 654 CG2 ILE A 40 2.045 -1.819 -4.257 1.00 0.00 C ATOM 655 CD1 ILE A 40 2.230 -4.639 -5.154 1.00 0.00 C ATOM 0 H ILE A 40 5.351 -3.014 -1.712 1.00 0.00 H new ATOM 0 HA ILE A 40 4.759 -1.498 -4.117 1.00 0.00 H new ATOM 0 HB ILE A 40 2.641 -3.218 -2.759 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.964 -3.441 -5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.115 -4.574 -4.156 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.157 -2.383 -4.542 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.772 -1.059 -3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.468 -1.338 -5.139 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.560 -5.411 -5.850 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.708 -5.104 -4.317 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.555 -3.953 -5.666 1.00 0.00 H new ATOM 667 N PHE A 41 3.401 0.170 -2.672 1.00 0.00 N ATOM 668 CA PHE A 41 2.990 1.256 -1.790 1.00 0.00 C ATOM 669 C PHE A 41 1.686 1.880 -2.275 1.00 0.00 C ATOM 670 O PHE A 41 1.627 2.447 -3.368 1.00 0.00 O ATOM 671 CB PHE A 41 4.083 2.325 -1.716 1.00 0.00 C ATOM 672 CG PHE A 41 5.332 1.859 -1.023 1.00 0.00 C ATOM 673 CD1 PHE A 41 6.266 1.089 -1.694 1.00 0.00 C ATOM 674 CD2 PHE A 41 5.569 2.194 0.301 1.00 0.00 C ATOM 675 CE1 PHE A 41 7.416 0.661 -1.060 1.00 0.00 C ATOM 676 CE2 PHE A 41 6.717 1.767 0.942 1.00 0.00 C ATOM 677 CZ PHE A 41 7.642 1.001 0.260 1.00 0.00 C ATOM 0 H PHE A 41 3.216 0.338 -3.661 1.00 0.00 H new ATOM 0 HA PHE A 41 2.830 0.843 -0.794 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.336 2.645 -2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.691 3.198 -1.194 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.094 0.820 -2.726 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.849 2.795 0.837 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.137 0.061 -1.595 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.890 2.032 1.975 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.541 0.668 0.758 1.00 0.00 H new ATOM 687 N LEU A 42 0.642 1.771 -1.461 1.00 0.00 N ATOM 688 CA LEU A 42 -0.657 2.324 -1.812 1.00 0.00 C ATOM 689 C LEU A 42 -0.796 3.757 -1.314 1.00 0.00 C ATOM 690 O LEU A 42 -0.158 4.152 -0.336 1.00 0.00 O ATOM 691 CB LEU A 42 -1.781 1.458 -1.234 1.00 0.00 C ATOM 692 CG LEU A 42 -1.535 0.896 0.171 1.00 0.00 C ATOM 693 CD1 LEU A 42 -0.622 -0.320 0.123 1.00 0.00 C ATOM 694 CD2 LEU A 42 -0.972 1.969 1.094 1.00 0.00 C ATOM 0 H LEU A 42 0.672 1.305 -0.554 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.735 2.329 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.696 2.050 -1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.957 0.624 -1.913 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.494 0.574 0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.465 -0.697 1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.083 -1.097 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.337 -0.038 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.806 1.546 2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.027 2.335 0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.680 2.795 1.166 1.00 0.00 H new ATOM 706 N THR A 43 -1.634 4.534 -1.992 1.00 0.00 N ATOM 707 CA THR A 43 -1.860 5.924 -1.618 1.00 0.00 C ATOM 708 C THR A 43 -3.302 6.133 -1.168 1.00 0.00 C ATOM 709 O THR A 43 -4.238 5.956 -1.949 1.00 0.00 O ATOM 710 CB THR A 43 -1.538 6.853 -2.789 1.00 0.00 C ATOM 711 OG1 THR A 43 -0.330 6.464 -3.418 1.00 0.00 O ATOM 712 CG2 THR A 43 -1.395 8.303 -2.379 1.00 0.00 C ATOM 0 H THR A 43 -2.168 4.224 -2.804 1.00 0.00 H new ATOM 0 HA THR A 43 -1.197 6.163 -0.786 1.00 0.00 H new ATOM 0 HB THR A 43 -2.385 6.766 -3.470 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.454 6.460 -4.390 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.167 8.908 -3.256 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.327 8.648 -1.932 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.588 8.398 -1.653 1.00 0.00 H new ATOM 720 N ILE A 44 -3.473 6.509 0.095 1.00 0.00 N ATOM 721 CA ILE A 44 -4.800 6.741 0.650 1.00 0.00 C ATOM 722 C ILE A 44 -5.256 8.175 0.407 1.00 0.00 C ATOM 723 O ILE A 44 -4.654 9.122 0.913 1.00 0.00 O ATOM 724 CB ILE A 44 -4.836 6.452 2.162 1.00 0.00 C ATOM 725 CG1 ILE A 44 -4.223 5.082 2.459 1.00 0.00 C ATOM 726 CG2 ILE A 44 -6.265 6.521 2.681 1.00 0.00 C ATOM 727 CD1 ILE A 44 -4.165 4.752 3.934 1.00 0.00 C ATOM 0 H ILE A 44 -2.708 6.659 0.753 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.478 6.056 0.141 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.246 7.212 2.674 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.803 4.315 1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.214 5.048 2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.274 6.314 3.751 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.670 7.517 2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.876 5.781 2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.719 3.767 4.069 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.560 5.498 4.450 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.174 4.754 4.347 1.00 0.00 H new ATOM 739 N ASN A 45 -6.326 8.326 -0.367 1.00 0.00 N ATOM 740 CA ASN A 45 -6.866 9.644 -0.673 1.00 0.00 C ATOM 741 C ASN A 45 -7.864 10.084 0.395 1.00 0.00 C ATOM 742 O ASN A 45 -8.220 9.308 1.281 1.00 0.00 O ATOM 743 CB ASN A 45 -7.544 9.636 -2.045 1.00 0.00 C ATOM 744 CG ASN A 45 -6.654 9.048 -3.123 1.00 0.00 C ATOM 745 OD1 ASN A 45 -5.428 9.067 -3.013 1.00 0.00 O ATOM 746 ND2 ASN A 45 -7.271 8.521 -4.175 1.00 0.00 N ATOM 0 H ASN A 45 -6.835 7.552 -0.793 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.038 10.353 -0.688 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.469 9.062 -1.987 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.818 10.655 -2.319 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.726 8.110 -4.933 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.290 8.527 -4.225 1.00 0.00 H new ATOM 753 N ALA A 46 -8.309 11.333 0.304 1.00 0.00 N ATOM 754 CA ALA A 46 -9.266 11.875 1.263 1.00 0.00 C ATOM 755 C ALA A 46 -10.700 11.570 0.849 1.00 0.00 C ATOM 756 O ALA A 46 -11.650 12.043 1.479 1.00 0.00 O ATOM 757 CB ALA A 46 -9.067 13.374 1.410 1.00 0.00 C ATOM 0 H ALA A 46 -8.023 11.989 -0.423 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.087 11.395 2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.786 13.768 2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.055 13.574 1.763 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.216 13.857 0.444 1.00 0.00 H new ATOM 763 N ASP A 47 -10.860 10.779 -0.209 1.00 0.00 N ATOM 764 CA ASP A 47 -12.180 10.415 -0.700 1.00 0.00 C ATOM 765 C ASP A 47 -12.500 8.958 -0.384 1.00 0.00 C ATOM 766 O ASP A 47 -13.660 8.548 -0.407 1.00 0.00 O ATOM 767 CB ASP A 47 -12.280 10.652 -2.212 1.00 0.00 C ATOM 768 CG ASP A 47 -10.930 10.707 -2.899 1.00 0.00 C ATOM 769 OD1 ASP A 47 -10.310 11.792 -2.901 1.00 0.00 O ATOM 770 OD2 ASP A 47 -10.490 9.666 -3.434 1.00 0.00 O ATOM 0 H ASP A 47 -10.088 10.379 -0.742 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.907 11.049 -0.193 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.876 9.856 -2.659 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -12.810 11.587 -2.392 1.00 0.00 H new ATOM 775 N GLY A 48 -11.470 8.177 -0.094 1.00 0.00 N ATOM 776 CA GLY A 48 -11.660 6.774 0.214 1.00 0.00 C ATOM 777 C GLY A 48 -11.130 5.864 -0.879 1.00 0.00 C ATOM 778 O GLY A 48 -11.430 4.669 -0.898 1.00 0.00 O ATOM 0 H GLY A 48 -10.500 8.492 -0.066 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.158 6.540 1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.722 6.578 0.363 1.00 0.00 H new ATOM 782 N SER A 49 -10.340 6.430 -1.791 1.00 0.00 N ATOM 783 CA SER A 49 -9.776 5.659 -2.889 1.00 0.00 C ATOM 784 C SER A 49 -8.300 5.371 -2.639 1.00 0.00 C ATOM 785 O SER A 49 -7.500 6.288 -2.451 1.00 0.00 O ATOM 786 CB SER A 49 -9.949 6.408 -4.208 1.00 0.00 C ATOM 787 OG SER A 49 -10.740 5.669 -5.113 1.00 0.00 O ATOM 0 H SER A 49 -10.079 7.416 -1.788 1.00 0.00 H new ATOM 0 HA SER A 49 -10.309 4.710 -2.951 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.413 7.376 -4.021 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.972 6.603 -4.650 1.00 0.00 H new ATOM 0 HG SER A 49 -10.837 6.172 -5.949 1.00 0.00 H new ATOM 793 N VAL A 50 -7.946 4.092 -2.637 1.00 0.00 N ATOM 794 CA VAL A 50 -6.565 3.682 -2.410 1.00 0.00 C ATOM 795 C VAL A 50 -6.004 2.955 -3.626 1.00 0.00 C ATOM 796 O VAL A 50 -6.513 1.907 -4.026 1.00 0.00 O ATOM 797 CB VAL A 50 -6.442 2.762 -1.176 1.00 0.00 C ATOM 798 CG1 VAL A 50 -5.014 2.761 -0.657 1.00 0.00 C ATOM 799 CG2 VAL A 50 -7.411 3.189 -0.083 1.00 0.00 C ATOM 0 H VAL A 50 -8.595 3.321 -2.790 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.991 4.592 -2.232 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.701 1.747 -1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.943 2.108 0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.344 2.400 -1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.729 3.774 -0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.306 2.526 0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.190 4.213 0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.432 3.135 -0.460 1.00 0.00 H new ATOM 809 N TYR A 51 -4.951 3.515 -4.213 1.00 0.00 N ATOM 810 CA TYR A 51 -4.322 2.917 -5.387 1.00 0.00 C ATOM 811 C TYR A 51 -2.888 2.494 -5.082 1.00 0.00 C ATOM 812 O TYR A 51 -2.173 3.176 -4.349 1.00 0.00 O ATOM 813 CB TYR A 51 -4.346 3.898 -6.563 1.00 0.00 C ATOM 814 CG TYR A 51 -3.390 5.061 -6.409 1.00 0.00 C ATOM 815 CD1 TYR A 51 -2.035 4.908 -6.668 1.00 0.00 C ATOM 816 CD2 TYR A 51 -3.845 6.310 -6.008 1.00 0.00 C ATOM 817 CE1 TYR A 51 -1.157 5.967 -6.531 1.00 0.00 C ATOM 818 CE2 TYR A 51 -2.974 7.375 -5.868 1.00 0.00 C ATOM 819 CZ TYR A 51 -1.633 7.198 -6.131 1.00 0.00 C ATOM 820 OH TYR A 51 -0.763 8.255 -5.993 1.00 0.00 O ATOM 0 H TYR A 51 -4.515 4.381 -3.896 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.890 2.027 -5.659 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.103 3.359 -7.479 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.358 4.285 -6.680 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.660 3.945 -6.982 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.896 6.452 -5.802 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.105 5.831 -6.736 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.343 8.340 -5.554 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.258 9.051 -5.705 1.00 0.00 H new ATOM 830 N ALA A 52 -2.476 1.364 -5.650 1.00 0.00 N ATOM 831 CA ALA A 52 -1.128 0.850 -5.438 1.00 0.00 C ATOM 832 C ALA A 52 -0.246 1.092 -6.658 1.00 0.00 C ATOM 833 O ALA A 52 -0.741 1.266 -7.771 1.00 0.00 O ATOM 834 CB ALA A 52 -1.175 -0.632 -5.106 1.00 0.00 C ATOM 0 H ALA A 52 -3.056 0.788 -6.260 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.692 1.387 -4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.162 -1.002 -4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.760 -0.783 -4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.637 -1.175 -5.930 1.00 0.00 H new ATOM 840 N GLU A 53 1.064 1.101 -6.439 1.00 0.00 N ATOM 841 CA GLU A 53 2.021 1.320 -7.518 1.00 0.00 C ATOM 842 C GLU A 53 3.383 0.730 -7.162 1.00 0.00 C ATOM 843 O GLU A 53 3.655 0.431 -6.000 1.00 0.00 O ATOM 844 CB GLU A 53 2.157 2.815 -7.812 1.00 0.00 C ATOM 845 CG GLU A 53 2.789 3.605 -6.678 1.00 0.00 C ATOM 846 CD GLU A 53 2.789 5.099 -6.938 1.00 0.00 C ATOM 847 OE1 GLU A 53 1.984 5.556 -7.777 1.00 0.00 O ATOM 848 OE2 GLU A 53 3.594 5.812 -6.304 1.00 0.00 O ATOM 0 H GLU A 53 1.489 0.959 -5.522 1.00 0.00 H new ATOM 0 HA GLU A 53 1.649 0.816 -8.410 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.757 2.946 -8.713 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.170 3.226 -8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.250 3.401 -5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.814 3.265 -6.531 1.00 0.00 H new ATOM 855 N GLU A 54 4.234 0.566 -8.169 1.00 0.00 N ATOM 856 CA GLU A 54 5.566 0.011 -7.960 1.00 0.00 C ATOM 857 C GLU A 54 6.643 1.053 -8.244 1.00 0.00 C ATOM 858 O GLU A 54 6.501 1.878 -9.147 1.00 0.00 O ATOM 859 CB GLU A 54 5.777 -1.213 -8.853 1.00 0.00 C ATOM 860 CG GLU A 54 6.719 -2.247 -8.255 1.00 0.00 C ATOM 861 CD GLU A 54 8.179 -1.895 -8.466 1.00 0.00 C ATOM 862 OE1 GLU A 54 8.474 -1.123 -9.402 1.00 0.00 O ATOM 863 OE2 GLU A 54 9.025 -2.393 -7.695 1.00 0.00 O ATOM 0 H GLU A 54 4.025 0.809 -9.137 1.00 0.00 H new ATOM 0 HA GLU A 54 5.645 -0.291 -6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.812 -1.682 -9.047 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.172 -0.887 -9.815 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.522 -2.339 -7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.515 -3.220 -8.701 1.00 0.00 H new ATOM 870 N VAL A 55 7.722 1.007 -7.468 1.00 0.00 N ATOM 871 CA VAL A 55 8.824 1.945 -7.636 1.00 0.00 C ATOM 872 C VAL A 55 10.048 1.252 -8.226 1.00 0.00 C ATOM 873 O VAL A 55 10.361 0.116 -7.868 1.00 0.00 O ATOM 874 CB VAL A 55 9.217 2.597 -6.297 1.00 0.00 C ATOM 875 CG1 VAL A 55 10.220 3.718 -6.522 1.00 0.00 C ATOM 876 CG2 VAL A 55 7.983 3.115 -5.573 1.00 0.00 C ATOM 0 H VAL A 55 7.855 0.330 -6.717 1.00 0.00 H new ATOM 0 HA VAL A 55 8.479 2.719 -8.322 1.00 0.00 H new ATOM 0 HB VAL A 55 9.688 1.840 -5.670 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.485 4.166 -5.565 1.00 0.00 H new ATOM 0 HG12 VAL A 55 11.116 3.315 -6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.779 4.477 -7.168 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.280 3.572 -4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.482 3.857 -6.194 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.302 2.287 -5.376 1.00 0.00 H new ATOM 886 N LYS A 56 10.736 1.940 -9.131 1.00 0.00 N ATOM 887 CA LYS A 56 11.925 1.388 -9.769 1.00 0.00 C ATOM 888 C LYS A 56 13.095 2.368 -9.681 1.00 0.00 C ATOM 889 O LYS A 56 12.967 3.530 -10.067 1.00 0.00 O ATOM 890 CB LYS A 56 11.634 1.054 -11.234 1.00 0.00 C ATOM 891 CG LYS A 56 12.630 0.083 -11.846 1.00 0.00 C ATOM 892 CD LYS A 56 12.102 -1.342 -11.831 1.00 0.00 C ATOM 893 CE LYS A 56 12.789 -2.183 -10.767 1.00 0.00 C ATOM 894 NZ LYS A 56 12.946 -3.600 -11.194 1.00 0.00 N ATOM 0 H LYS A 56 10.490 2.881 -9.439 1.00 0.00 H new ATOM 0 HA LYS A 56 12.199 0.474 -9.242 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.633 0.630 -11.309 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.634 1.976 -11.815 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.846 0.381 -12.872 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.570 0.129 -11.296 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.027 -1.330 -11.649 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.254 -1.797 -12.810 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.769 -1.760 -10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.210 -2.144 -9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.419 -4.139 -10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.010 -4.012 -11.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.520 -3.640 -12.060 1.00 0.00 H new ATOM 908 N PRO A 57 14.255 1.912 -9.172 1.00 0.00 N ATOM 909 CA PRO A 57 15.443 2.762 -9.042 1.00 0.00 C ATOM 910 C PRO A 57 16.087 3.069 -10.389 1.00 0.00 C ATOM 911 O PRO A 57 15.504 2.807 -11.441 1.00 0.00 O ATOM 912 CB PRO A 57 16.385 1.924 -8.177 1.00 0.00 C ATOM 913 CG PRO A 57 15.987 0.515 -8.446 1.00 0.00 C ATOM 914 CD PRO A 57 14.502 0.542 -8.688 1.00 0.00 C ATOM 0 HA PRO A 57 15.203 3.736 -8.615 1.00 0.00 H new ATOM 0 HB2 PRO A 57 17.428 2.099 -8.442 1.00 0.00 H new ATOM 0 HB3 PRO A 57 16.279 2.171 -7.121 1.00 0.00 H new ATOM 0 HG2 PRO A 57 16.516 0.119 -9.313 1.00 0.00 H new ATOM 0 HG3 PRO A 57 16.233 -0.128 -7.601 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.202 -0.204 -9.424 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.943 0.332 -7.776 1.00 0.00 H new ATOM 922 N ASP A 58 17.294 3.624 -10.350 1.00 0.00 N ATOM 923 CA ASP A 58 18.018 3.965 -11.570 1.00 0.00 C ATOM 924 C ASP A 58 19.357 3.232 -11.629 1.00 0.00 C ATOM 925 O ASP A 58 19.969 2.956 -10.598 1.00 0.00 O ATOM 926 CB ASP A 58 18.242 5.479 -11.647 1.00 0.00 C ATOM 927 CG ASP A 58 17.520 6.110 -12.821 1.00 0.00 C ATOM 928 OD1 ASP A 58 16.347 5.753 -13.059 1.00 0.00 O ATOM 929 OD2 ASP A 58 18.127 6.960 -13.505 1.00 0.00 O ATOM 0 H ASP A 58 17.791 3.847 -9.488 1.00 0.00 H new ATOM 0 HA ASP A 58 17.417 3.652 -12.423 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.899 5.942 -10.722 1.00 0.00 H new ATOM 0 HB3 ASP A 58 19.310 5.682 -11.729 1.00 0.00 H new ATOM 934 N PRO A 59 19.831 2.908 -12.846 1.00 0.00 N ATOM 935 CA PRO A 59 21.104 2.205 -13.034 1.00 0.00 C ATOM 936 C PRO A 59 22.305 3.084 -12.700 1.00 0.00 C ATOM 937 O PRO A 59 22.775 3.853 -13.537 1.00 0.00 O ATOM 938 CB PRO A 59 21.097 1.850 -14.523 1.00 0.00 C ATOM 939 CG PRO A 59 20.218 2.876 -15.151 1.00 0.00 C ATOM 940 CD PRO A 59 19.166 3.202 -14.129 1.00 0.00 C ATOM 0 HA PRO A 59 21.194 1.340 -12.377 1.00 0.00 H new ATOM 0 HB2 PRO A 59 22.103 1.880 -14.942 1.00 0.00 H new ATOM 0 HB3 PRO A 59 20.712 0.844 -14.689 1.00 0.00 H new ATOM 0 HG2 PRO A 59 20.788 3.765 -15.422 1.00 0.00 H new ATOM 0 HG3 PRO A 59 19.767 2.495 -16.067 1.00 0.00 H new ATOM 0 HD2 PRO A 59 18.856 4.245 -14.191 1.00 0.00 H new ATOM 0 HD3 PRO A 59 18.271 2.595 -14.266 1.00 0.00 H new ATOM 948 N SER A 60 22.800 2.960 -11.472 1.00 0.00 N ATOM 949 CA SER A 60 23.947 3.742 -11.029 1.00 0.00 C ATOM 950 C SER A 60 24.359 3.350 -9.613 1.00 0.00 C ATOM 951 O SER A 60 25.547 3.257 -9.306 1.00 0.00 O ATOM 952 CB SER A 60 23.623 5.236 -11.084 1.00 0.00 C ATOM 953 OG SER A 60 24.741 5.984 -11.533 1.00 0.00 O ATOM 0 H SER A 60 22.424 2.326 -10.767 1.00 0.00 H new ATOM 0 HA SER A 60 24.780 3.533 -11.701 1.00 0.00 H new ATOM 0 HB2 SER A 60 22.778 5.404 -11.751 1.00 0.00 H new ATOM 0 HB3 SER A 60 23.323 5.583 -10.095 1.00 0.00 H new ATOM 0 HG SER A 60 24.508 6.935 -11.561 1.00 0.00 H new ATOM 959 N ASN A 61 23.370 3.124 -8.756 1.00 0.00 N ATOM 960 CA ASN A 61 23.629 2.742 -7.372 1.00 0.00 C ATOM 961 C ASN A 61 23.691 1.224 -7.229 1.00 0.00 C ATOM 962 O ASN A 61 22.709 0.588 -6.846 1.00 0.00 O ATOM 963 CB ASN A 61 22.547 3.310 -6.453 1.00 0.00 C ATOM 964 CG ASN A 61 23.047 3.538 -5.042 1.00 0.00 C ATOM 965 OD1 ASN A 61 22.789 2.740 -4.141 1.00 0.00 O ATOM 966 ND2 ASN A 61 23.769 4.635 -4.839 1.00 0.00 N ATOM 0 H ASN A 61 22.381 3.199 -8.995 1.00 0.00 H new ATOM 0 HA ASN A 61 24.595 3.155 -7.082 1.00 0.00 H new ATOM 0 HB2 ASN A 61 22.184 4.252 -6.863 1.00 0.00 H new ATOM 0 HB3 ASN A 61 21.699 2.625 -6.429 1.00 0.00 H new ATOM 0 HD21 ASN A 61 24.132 4.842 -3.909 1.00 0.00 H new ATOM 0 HD22 ASN A 61 23.960 5.270 -5.614 1.00 0.00 H new ATOM 973 N LYS A 62 24.849 0.651 -7.538 1.00 0.00 N ATOM 974 CA LYS A 62 25.039 -0.792 -7.443 1.00 0.00 C ATOM 975 C LYS A 62 26.266 -1.125 -6.600 1.00 0.00 C ATOM 976 O LYS A 62 27.013 -2.053 -6.911 1.00 0.00 O ATOM 977 CB LYS A 62 25.183 -1.401 -8.839 1.00 0.00 C ATOM 978 CG LYS A 62 23.935 -1.268 -9.694 1.00 0.00 C ATOM 979 CD LYS A 62 24.274 -1.258 -11.176 1.00 0.00 C ATOM 980 CE LYS A 62 24.581 -2.657 -11.689 1.00 0.00 C ATOM 981 NZ LYS A 62 23.531 -3.150 -12.622 1.00 0.00 N ATOM 0 H LYS A 62 25.671 1.164 -7.857 1.00 0.00 H new ATOM 0 HA LYS A 62 24.161 -1.218 -6.957 1.00 0.00 H new ATOM 0 HB2 LYS A 62 26.017 -0.921 -9.351 1.00 0.00 H new ATOM 0 HB3 LYS A 62 25.435 -2.457 -8.741 1.00 0.00 H new ATOM 0 HG2 LYS A 62 23.257 -2.094 -9.480 1.00 0.00 H new ATOM 0 HG3 LYS A 62 23.410 -0.349 -9.433 1.00 0.00 H new ATOM 0 HD2 LYS A 62 23.440 -0.839 -11.738 1.00 0.00 H new ATOM 0 HD3 LYS A 62 25.133 -0.610 -11.349 1.00 0.00 H new ATOM 0 HE2 LYS A 62 25.545 -2.654 -12.197 1.00 0.00 H new ATOM 0 HE3 LYS A 62 24.668 -3.342 -10.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 23.778 -4.106 -12.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 22.615 -3.178 -12.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 23.466 -2.511 -13.440 1.00 0.00 H new ATOM 995 N LYS A 63 26.470 -0.359 -5.533 1.00 0.00 N ATOM 996 CA LYS A 63 27.607 -0.572 -4.645 1.00 0.00 C ATOM 997 C LYS A 63 27.241 -0.237 -3.201 1.00 0.00 C ATOM 998 O LYS A 63 28.001 0.424 -2.494 1.00 0.00 O ATOM 999 CB LYS A 63 28.798 0.276 -5.099 1.00 0.00 C ATOM 1000 CG LYS A 63 30.102 -0.501 -5.183 1.00 0.00 C ATOM 1001 CD LYS A 63 30.823 -0.244 -6.498 1.00 0.00 C ATOM 1002 CE LYS A 63 32.302 -0.583 -6.398 1.00 0.00 C ATOM 1003 NZ LYS A 63 33.152 0.446 -7.061 1.00 0.00 N ATOM 0 H LYS A 63 25.863 0.415 -5.262 1.00 0.00 H new ATOM 0 HA LYS A 63 27.884 -1.625 -4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 63 28.577 0.704 -6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 63 28.925 1.109 -4.407 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.748 -0.219 -4.352 1.00 0.00 H new ATOM 0 HG3 LYS A 63 29.898 -1.567 -5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.365 -0.839 -7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.707 0.803 -6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 63 32.585 -0.667 -5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 63 32.484 -1.555 -6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 34.153 0.179 -6.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 32.899 0.509 -8.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 32.998 1.369 -6.607 1.00 0.00 H new ATOM 1017 N THR A 64 26.069 -0.698 -2.772 1.00 0.00 N ATOM 1018 CA THR A 64 25.602 -0.447 -1.413 1.00 0.00 C ATOM 1019 C THR A 64 26.258 -1.405 -0.427 1.00 0.00 C ATOM 1020 O THR A 64 26.642 -2.518 -0.789 1.00 0.00 O ATOM 1021 CB THR A 64 24.080 -0.585 -1.340 1.00 0.00 C ATOM 1022 OG1 THR A 64 23.642 -1.712 -2.078 1.00 0.00 O ATOM 1023 CG2 THR A 64 23.343 0.627 -1.869 1.00 0.00 C ATOM 0 H THR A 64 25.427 -1.246 -3.345 1.00 0.00 H new ATOM 0 HA THR A 64 25.881 0.571 -1.143 1.00 0.00 H new ATOM 0 HB THR A 64 23.851 -0.695 -0.280 1.00 0.00 H new ATOM 0 HG1 THR A 64 22.667 -1.784 -2.017 1.00 0.00 H new ATOM 0 HG21 THR A 64 22.268 0.463 -1.788 1.00 0.00 H new ATOM 0 HG22 THR A 64 23.621 1.505 -1.286 1.00 0.00 H new ATOM 0 HG23 THR A 64 23.608 0.787 -2.914 1.00 0.00 H new ATOM 1031 N THR A 65 26.387 -0.966 0.820 1.00 0.00 N ATOM 1032 CA THR A 65 26.997 -1.785 1.860 1.00 0.00 C ATOM 1033 C THR A 65 25.935 -2.537 2.653 1.00 0.00 C ATOM 1034 O THR A 65 26.168 -3.653 3.119 1.00 0.00 O ATOM 1035 CB THR A 65 27.830 -0.912 2.802 1.00 0.00 C ATOM 1036 OG1 THR A 65 28.665 -0.038 2.065 1.00 0.00 O ATOM 1037 CG2 THR A 65 28.711 -1.711 3.735 1.00 0.00 C ATOM 0 H THR A 65 26.077 -0.047 1.135 1.00 0.00 H new ATOM 0 HA THR A 65 27.649 -2.514 1.378 1.00 0.00 H new ATOM 0 HB THR A 65 27.106 -0.358 3.399 1.00 0.00 H new ATOM 0 HG1 THR A 65 29.189 0.513 2.683 1.00 0.00 H new ATOM 0 HG21 THR A 65 29.274 -1.031 4.375 1.00 0.00 H new ATOM 0 HG22 THR A 65 28.091 -2.361 4.353 1.00 0.00 H new ATOM 0 HG23 THR A 65 29.404 -2.317 3.151 1.00 0.00 H new ATOM 1045 N ALA A 66 24.768 -1.921 2.802 1.00 0.00 N ATOM 1046 CA ALA A 66 23.668 -2.533 3.538 1.00 0.00 C ATOM 1047 C ALA A 66 23.051 -3.682 2.747 1.00 0.00 C ATOM 1048 O ALA A 66 21.942 -4.122 3.114 1.00 0.00 O ATOM 1049 CB ALA A 66 22.612 -1.490 3.871 1.00 0.00 C ATOM 1050 OXT ALA A 66 23.682 -4.130 1.767 1.00 0.00 O ATOM 0 H ALA A 66 24.559 -0.998 2.423 1.00 0.00 H new ATOM 0 HA ALA A 66 24.066 -2.940 4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 66 21.797 -1.960 4.420 1.00 0.00 H new ATOM 0 HB2 ALA A 66 23.056 -0.705 4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 66 22.225 -1.056 2.949 1.00 0.00 H new TER 1056 ALA A 66