USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 466 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0792 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 36:sc= 0.169 USER MOD Single : A 6 SER OG : rot 36:sc= 0.54 USER MOD Single : A 11 TYR OH : rot 102:sc= 0.915 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 163:sc= 1 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 40:sc= 0.226 USER MOD Single : A 28 THR OG1 : rot -110:sc= -2.84! USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 37 GLN : amide:sc= -0.596 X(o=-0.6,f=-0.97) USER MOD Single : A 38 LYS NZ :NH3+ -117:sc= 0.823 (180deg=-1.01!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 44:sc= 0.955 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -122:sc= 0.245 USER MOD Single : A 57 ASN : amide:sc= -3.2! C(o=-3.2!,f=-12!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 164:sc= -2.64! (180deg=-3.45!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.914 7.780 -5.558 1.00 0.00 N ATOM 2 CA GLY A 1 25.724 7.748 -6.998 1.00 0.00 C ATOM 3 C GLY A 1 24.518 8.595 -7.411 1.00 0.00 C ATOM 4 O GLY A 1 23.705 8.975 -6.570 1.00 0.00 O ATOM 0 H1 GLY A 1 26.839 8.202 -5.339 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.161 8.349 -5.121 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.878 6.811 -5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.621 8.119 -7.495 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.580 6.719 -7.327 1.00 0.00 H new ATOM 8 N SER A 2 24.441 8.865 -8.705 1.00 0.00 N ATOM 9 CA SER A 2 23.348 9.660 -9.240 1.00 0.00 C ATOM 10 C SER A 2 22.206 8.745 -9.687 1.00 0.00 C ATOM 11 O SER A 2 22.421 7.806 -10.451 1.00 0.00 O ATOM 12 CB SER A 2 23.819 10.530 -10.407 1.00 0.00 C ATOM 13 OG SER A 2 23.672 11.920 -10.130 1.00 0.00 O ATOM 0 H SER A 2 25.117 8.548 -9.399 1.00 0.00 H new ATOM 0 HA SER A 2 22.988 10.321 -8.452 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.865 10.312 -10.623 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.250 10.276 -11.301 1.00 0.00 H new ATOM 0 HG SER A 2 23.985 12.442 -10.898 1.00 0.00 H new ATOM 19 N SER A 3 21.016 9.052 -9.191 1.00 0.00 N ATOM 20 CA SER A 3 19.840 8.269 -9.530 1.00 0.00 C ATOM 21 C SER A 3 20.071 6.798 -9.178 1.00 0.00 C ATOM 22 O SER A 3 20.796 6.095 -9.881 1.00 0.00 O ATOM 23 CB SER A 3 19.492 8.412 -11.013 1.00 0.00 C ATOM 24 OG SER A 3 18.864 9.660 -11.296 1.00 0.00 O ATOM 0 H SER A 3 20.841 9.832 -8.557 1.00 0.00 H new ATOM 0 HA SER A 3 18.999 8.647 -8.949 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.400 8.320 -11.609 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.831 7.598 -11.311 1.00 0.00 H new ATOM 0 HG SER A 3 18.659 9.714 -12.253 1.00 0.00 H new ATOM 30 N GLY A 4 19.442 6.377 -8.091 1.00 0.00 N ATOM 31 CA GLY A 4 19.570 5.002 -7.638 1.00 0.00 C ATOM 32 C GLY A 4 18.511 4.110 -8.288 1.00 0.00 C ATOM 33 O GLY A 4 18.645 3.725 -9.448 1.00 0.00 O ATOM 0 H GLY A 4 18.842 6.963 -7.511 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.565 4.627 -7.879 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.469 4.962 -6.553 1.00 0.00 H new ATOM 37 N SER A 5 17.481 3.807 -7.511 1.00 0.00 N ATOM 38 CA SER A 5 16.399 2.967 -7.997 1.00 0.00 C ATOM 39 C SER A 5 15.067 3.439 -7.412 1.00 0.00 C ATOM 40 O SER A 5 14.860 3.379 -6.201 1.00 0.00 O ATOM 41 CB SER A 5 16.642 1.498 -7.644 1.00 0.00 C ATOM 42 OG SER A 5 16.959 1.325 -6.266 1.00 0.00 O ATOM 0 H SER A 5 17.373 4.128 -6.549 1.00 0.00 H new ATOM 0 HA SER A 5 16.362 3.051 -9.083 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.754 0.915 -7.887 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.456 1.108 -8.255 1.00 0.00 H new ATOM 0 HG SER A 5 16.449 1.968 -5.730 1.00 0.00 H new ATOM 48 N SER A 6 14.198 3.900 -8.300 1.00 0.00 N ATOM 49 CA SER A 6 12.891 4.383 -7.887 1.00 0.00 C ATOM 50 C SER A 6 11.796 3.680 -8.691 1.00 0.00 C ATOM 51 O SER A 6 11.642 3.928 -9.886 1.00 0.00 O ATOM 52 CB SER A 6 12.785 5.899 -8.058 1.00 0.00 C ATOM 53 OG SER A 6 13.029 6.304 -9.402 1.00 0.00 O ATOM 0 H SER A 6 14.373 3.949 -9.304 1.00 0.00 H new ATOM 0 HA SER A 6 12.760 4.154 -6.829 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.791 6.229 -7.755 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.499 6.389 -7.397 1.00 0.00 H new ATOM 0 HG SER A 6 12.662 5.635 -10.017 1.00 0.00 H new ATOM 59 N GLY A 7 11.062 2.817 -8.004 1.00 0.00 N ATOM 60 CA GLY A 7 9.985 2.078 -8.640 1.00 0.00 C ATOM 61 C GLY A 7 8.753 2.015 -7.734 1.00 0.00 C ATOM 62 O GLY A 7 8.151 3.043 -7.427 1.00 0.00 O ATOM 0 H GLY A 7 11.192 2.613 -7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.722 2.553 -9.585 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.321 1.068 -8.874 1.00 0.00 H new ATOM 66 N GLY A 8 8.416 0.799 -7.331 1.00 0.00 N ATOM 67 CA GLY A 8 7.267 0.589 -6.467 1.00 0.00 C ATOM 68 C GLY A 8 7.626 -0.317 -5.287 1.00 0.00 C ATOM 69 O GLY A 8 8.462 -1.210 -5.418 1.00 0.00 O ATOM 0 H GLY A 8 8.918 -0.051 -7.587 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.906 1.548 -6.097 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.454 0.142 -7.039 1.00 0.00 H new ATOM 73 N GLU A 9 6.977 -0.056 -4.162 1.00 0.00 N ATOM 74 CA GLU A 9 7.218 -0.836 -2.961 1.00 0.00 C ATOM 75 C GLU A 9 5.925 -1.510 -2.497 1.00 0.00 C ATOM 76 O GLU A 9 4.931 -0.837 -2.230 1.00 0.00 O ATOM 77 CB GLU A 9 7.810 0.034 -1.851 1.00 0.00 C ATOM 78 CG GLU A 9 9.321 0.199 -2.030 1.00 0.00 C ATOM 79 CD GLU A 9 10.032 0.248 -0.676 1.00 0.00 C ATOM 80 OE1 GLU A 9 9.631 1.101 0.145 1.00 0.00 O ATOM 81 OE2 GLU A 9 10.960 -0.569 -0.492 1.00 0.00 O ATOM 0 H GLU A 9 6.284 0.685 -4.057 1.00 0.00 H new ATOM 0 HA GLU A 9 7.946 -1.612 -3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.331 1.013 -1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.602 -0.417 -0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.713 -0.629 -2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.527 1.113 -2.586 1.00 0.00 H new ATOM 88 N GLU A 10 5.980 -2.832 -2.417 1.00 0.00 N ATOM 89 CA GLU A 10 4.825 -3.604 -1.991 1.00 0.00 C ATOM 90 C GLU A 10 4.626 -3.472 -0.480 1.00 0.00 C ATOM 91 O GLU A 10 5.593 -3.482 0.281 1.00 0.00 O ATOM 92 CB GLU A 10 4.967 -5.072 -2.399 1.00 0.00 C ATOM 93 CG GLU A 10 4.763 -5.245 -3.905 1.00 0.00 C ATOM 94 CD GLU A 10 4.280 -6.659 -4.234 1.00 0.00 C ATOM 95 OE1 GLU A 10 5.148 -7.557 -4.288 1.00 0.00 O ATOM 96 OE2 GLU A 10 3.054 -6.810 -4.424 1.00 0.00 O ATOM 0 H GLU A 10 6.806 -3.387 -2.640 1.00 0.00 H new ATOM 0 HA GLU A 10 3.942 -3.206 -2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.955 -5.437 -2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.238 -5.676 -1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.036 -4.516 -4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.699 -5.046 -4.428 1.00 0.00 H new ATOM 103 N TYR A 11 3.366 -3.350 -0.089 1.00 0.00 N ATOM 104 CA TYR A 11 3.028 -3.215 1.317 1.00 0.00 C ATOM 105 C TYR A 11 1.759 -4.001 1.654 1.00 0.00 C ATOM 106 O TYR A 11 0.860 -4.121 0.823 1.00 0.00 O ATOM 107 CB TYR A 11 2.767 -1.725 1.547 1.00 0.00 C ATOM 108 CG TYR A 11 4.002 -0.938 1.989 1.00 0.00 C ATOM 109 CD1 TYR A 11 4.871 -0.431 1.044 1.00 0.00 C ATOM 110 CD2 TYR A 11 4.247 -0.734 3.331 1.00 0.00 C ATOM 111 CE1 TYR A 11 6.033 0.310 1.459 1.00 0.00 C ATOM 112 CE2 TYR A 11 5.410 0.007 3.747 1.00 0.00 C ATOM 113 CZ TYR A 11 6.245 0.493 2.790 1.00 0.00 C ATOM 114 OH TYR A 11 7.344 1.193 3.182 1.00 0.00 O ATOM 0 H TYR A 11 2.566 -3.342 -0.722 1.00 0.00 H new ATOM 0 HA TYR A 11 3.832 -3.600 1.944 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.381 -1.288 0.626 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.989 -1.615 2.303 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.679 -0.590 -0.007 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.566 -1.130 4.070 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.721 0.712 0.730 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.614 0.173 4.795 1.00 0.00 H new ATOM 0 HH TYR A 11 7.080 2.102 3.436 1.00 0.00 H new ATOM 124 N ILE A 12 1.727 -4.516 2.874 1.00 0.00 N ATOM 125 CA ILE A 12 0.583 -5.288 3.331 1.00 0.00 C ATOM 126 C ILE A 12 -0.272 -4.423 4.258 1.00 0.00 C ATOM 127 O ILE A 12 0.196 -3.977 5.305 1.00 0.00 O ATOM 128 CB ILE A 12 1.042 -6.602 3.965 1.00 0.00 C ATOM 129 CG1 ILE A 12 1.929 -7.395 3.003 1.00 0.00 C ATOM 130 CG2 ILE A 12 -0.154 -7.423 4.451 1.00 0.00 C ATOM 131 CD1 ILE A 12 1.096 -8.360 2.158 1.00 0.00 C ATOM 0 H ILE A 12 2.475 -4.414 3.560 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.047 -5.571 2.488 1.00 0.00 H new ATOM 0 HB ILE A 12 1.648 -6.366 4.840 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.469 -6.708 2.351 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.676 -7.953 3.568 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.200 -8.352 4.898 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.710 -6.852 5.195 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.806 -7.651 3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.751 -8.911 1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.576 -9.061 2.812 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.366 -7.797 1.576 1.00 0.00 H new ATOM 143 N ALA A 13 -1.512 -4.211 3.841 1.00 0.00 N ATOM 144 CA ALA A 13 -2.437 -3.407 4.622 1.00 0.00 C ATOM 145 C ALA A 13 -2.659 -4.070 5.983 1.00 0.00 C ATOM 146 O ALA A 13 -3.184 -5.180 6.058 1.00 0.00 O ATOM 147 CB ALA A 13 -3.741 -3.227 3.842 1.00 0.00 C ATOM 0 H ALA A 13 -1.898 -4.582 2.973 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.025 -2.414 4.802 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.435 -2.624 4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.533 -2.726 2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.185 -4.203 3.645 1.00 0.00 H new ATOM 153 N LEU A 14 -2.248 -3.361 7.024 1.00 0.00 N ATOM 154 CA LEU A 14 -2.395 -3.867 8.378 1.00 0.00 C ATOM 155 C LEU A 14 -3.873 -3.829 8.775 1.00 0.00 C ATOM 156 O LEU A 14 -4.447 -4.852 9.144 1.00 0.00 O ATOM 157 CB LEU A 14 -1.481 -3.103 9.338 1.00 0.00 C ATOM 158 CG LEU A 14 0.022 -3.293 9.127 1.00 0.00 C ATOM 159 CD1 LEU A 14 0.822 -2.251 9.911 1.00 0.00 C ATOM 160 CD2 LEU A 14 0.448 -4.721 9.473 1.00 0.00 C ATOM 0 H LEU A 14 -1.813 -2.441 6.957 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.077 -4.908 8.432 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.708 -2.040 9.255 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.725 -3.403 10.357 1.00 0.00 H new ATOM 0 HG LEU A 14 0.240 -3.139 8.070 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.887 -2.409 9.743 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.546 -1.252 9.575 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.604 -2.349 10.974 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.521 -4.829 9.314 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.213 -4.928 10.517 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.086 -5.425 8.835 1.00 0.00 H new ATOM 172 N TYR A 15 -4.446 -2.638 8.684 1.00 0.00 N ATOM 173 CA TYR A 15 -5.845 -2.453 9.028 1.00 0.00 C ATOM 174 C TYR A 15 -6.648 -1.966 7.820 1.00 0.00 C ATOM 175 O TYR A 15 -6.091 -1.366 6.902 1.00 0.00 O ATOM 176 CB TYR A 15 -5.874 -1.374 10.113 1.00 0.00 C ATOM 177 CG TYR A 15 -4.762 -1.510 11.155 1.00 0.00 C ATOM 178 CD1 TYR A 15 -4.949 -2.310 12.263 1.00 0.00 C ATOM 179 CD2 TYR A 15 -3.572 -0.831 10.987 1.00 0.00 C ATOM 180 CE1 TYR A 15 -3.903 -2.438 13.244 1.00 0.00 C ATOM 181 CE2 TYR A 15 -2.526 -0.959 11.968 1.00 0.00 C ATOM 182 CZ TYR A 15 -2.743 -1.756 13.048 1.00 0.00 C ATOM 183 OH TYR A 15 -1.755 -1.877 13.975 1.00 0.00 O ATOM 0 H TYR A 15 -3.967 -1.792 8.377 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.285 -3.393 9.361 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.797 -0.395 9.640 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.839 -1.408 10.619 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.880 -2.841 12.395 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.426 -0.204 10.120 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.037 -3.061 14.116 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.590 -0.434 11.849 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.984 -1.335 13.704 1.00 0.00 H new ATOM 193 N PRO A 16 -7.977 -2.251 7.860 1.00 0.00 N ATOM 194 CA PRO A 16 -8.862 -1.849 6.780 1.00 0.00 C ATOM 195 C PRO A 16 -9.146 -0.347 6.835 1.00 0.00 C ATOM 196 O PRO A 16 -9.826 0.127 7.743 1.00 0.00 O ATOM 197 CB PRO A 16 -10.110 -2.697 6.958 1.00 0.00 C ATOM 198 CG PRO A 16 -10.070 -3.203 8.390 1.00 0.00 C ATOM 199 CD PRO A 16 -8.671 -2.960 8.931 1.00 0.00 C ATOM 0 HA PRO A 16 -8.425 -2.011 5.795 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.010 -2.110 6.776 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.123 -3.527 6.251 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.810 -2.684 8.999 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.314 -4.265 8.427 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.698 -2.368 9.846 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.172 -3.898 9.173 1.00 0.00 H new ATOM 207 N TYR A 17 -8.611 0.361 5.850 1.00 0.00 N ATOM 208 CA TYR A 17 -8.799 1.800 5.775 1.00 0.00 C ATOM 209 C TYR A 17 -9.848 2.161 4.721 1.00 0.00 C ATOM 210 O TYR A 17 -9.650 1.914 3.533 1.00 0.00 O ATOM 211 CB TYR A 17 -7.448 2.380 5.352 1.00 0.00 C ATOM 212 CG TYR A 17 -7.419 3.908 5.292 1.00 0.00 C ATOM 213 CD1 TYR A 17 -7.326 4.643 6.457 1.00 0.00 C ATOM 214 CD2 TYR A 17 -7.485 4.553 4.074 1.00 0.00 C ATOM 215 CE1 TYR A 17 -7.298 6.081 6.401 1.00 0.00 C ATOM 216 CE2 TYR A 17 -7.457 5.992 4.018 1.00 0.00 C ATOM 217 CZ TYR A 17 -7.365 6.685 5.184 1.00 0.00 C ATOM 218 OH TYR A 17 -7.339 8.044 5.131 1.00 0.00 O ATOM 0 H TYR A 17 -8.048 -0.035 5.098 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.142 2.193 6.732 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.683 2.039 6.050 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.184 1.983 4.372 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.274 4.139 7.411 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.558 3.979 3.162 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.225 6.667 7.305 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.508 6.509 3.071 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.121 8.332 4.220 1.00 0.00 H new ATOM 228 N SER A 18 -10.942 2.740 5.195 1.00 0.00 N ATOM 229 CA SER A 18 -12.022 3.138 4.309 1.00 0.00 C ATOM 230 C SER A 18 -12.271 4.643 4.429 1.00 0.00 C ATOM 231 O SER A 18 -12.067 5.226 5.493 1.00 0.00 O ATOM 232 CB SER A 18 -13.304 2.362 4.620 1.00 0.00 C ATOM 233 OG SER A 18 -13.533 2.250 6.022 1.00 0.00 O ATOM 0 H SER A 18 -11.103 2.943 6.182 1.00 0.00 H new ATOM 0 HA SER A 18 -11.727 2.906 3.286 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.153 2.862 4.153 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.240 1.366 4.182 1.00 0.00 H new ATOM 0 HG SER A 18 -14.361 1.750 6.179 1.00 0.00 H new ATOM 239 N SER A 19 -12.707 5.228 3.324 1.00 0.00 N ATOM 240 CA SER A 19 -12.985 6.654 3.292 1.00 0.00 C ATOM 241 C SER A 19 -13.525 7.051 1.917 1.00 0.00 C ATOM 242 O SER A 19 -12.858 6.853 0.903 1.00 0.00 O ATOM 243 CB SER A 19 -11.733 7.467 3.625 1.00 0.00 C ATOM 244 OG SER A 19 -12.033 8.605 4.428 1.00 0.00 O ATOM 0 H SER A 19 -12.875 4.741 2.444 1.00 0.00 H new ATOM 0 HA SER A 19 -13.739 6.872 4.048 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.017 6.833 4.148 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.255 7.791 2.701 1.00 0.00 H new ATOM 0 HG SER A 19 -11.207 9.097 4.620 1.00 0.00 H new ATOM 250 N VAL A 20 -14.729 7.605 1.926 1.00 0.00 N ATOM 251 CA VAL A 20 -15.366 8.031 0.692 1.00 0.00 C ATOM 252 C VAL A 20 -14.745 9.352 0.233 1.00 0.00 C ATOM 253 O VAL A 20 -15.450 10.344 0.054 1.00 0.00 O ATOM 254 CB VAL A 20 -16.881 8.120 0.889 1.00 0.00 C ATOM 255 CG1 VAL A 20 -17.483 6.735 1.137 1.00 0.00 C ATOM 256 CG2 VAL A 20 -17.231 9.081 2.026 1.00 0.00 C ATOM 0 H VAL A 20 -15.280 7.768 2.769 1.00 0.00 H new ATOM 0 HA VAL A 20 -15.196 7.299 -0.098 1.00 0.00 H new ATOM 0 HB VAL A 20 -17.316 8.516 -0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -18.561 6.826 1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -17.279 6.091 0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -17.039 6.300 2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -18.314 9.125 2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -16.779 8.728 2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -16.850 10.075 1.792 1.00 0.00 H new ATOM 266 N GLU A 21 -13.433 9.321 0.055 1.00 0.00 N ATOM 267 CA GLU A 21 -12.709 10.504 -0.381 1.00 0.00 C ATOM 268 C GLU A 21 -12.078 10.264 -1.754 1.00 0.00 C ATOM 269 O GLU A 21 -11.314 9.316 -1.934 1.00 0.00 O ATOM 270 CB GLU A 21 -11.649 10.907 0.647 1.00 0.00 C ATOM 271 CG GLU A 21 -12.277 11.681 1.807 1.00 0.00 C ATOM 272 CD GLU A 21 -12.143 13.190 1.596 1.00 0.00 C ATOM 273 OE1 GLU A 21 -12.648 13.665 0.556 1.00 0.00 O ATOM 274 OE2 GLU A 21 -11.538 13.835 2.480 1.00 0.00 O ATOM 0 H GLU A 21 -12.852 8.496 0.204 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.417 11.329 -0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.149 10.016 1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.886 11.520 0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.330 11.415 1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.794 11.397 2.742 1.00 0.00 H new ATOM 281 N PRO A 22 -12.429 11.162 -2.712 1.00 0.00 N ATOM 282 CA PRO A 22 -11.906 11.058 -4.064 1.00 0.00 C ATOM 283 C PRO A 22 -10.446 11.513 -4.124 1.00 0.00 C ATOM 284 O PRO A 22 -10.085 12.344 -4.956 1.00 0.00 O ATOM 285 CB PRO A 22 -12.831 11.916 -4.911 1.00 0.00 C ATOM 286 CG PRO A 22 -13.553 12.836 -3.940 1.00 0.00 C ATOM 287 CD PRO A 22 -13.331 12.297 -2.536 1.00 0.00 C ATOM 0 HA PRO A 22 -11.890 10.032 -4.431 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.267 12.490 -5.646 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.539 11.299 -5.464 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -13.172 13.854 -4.023 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.618 12.875 -4.170 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.892 13.054 -1.886 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.270 11.989 -2.077 1.00 0.00 H new ATOM 295 N GLY A 23 -9.647 10.950 -3.230 1.00 0.00 N ATOM 296 CA GLY A 23 -8.235 11.287 -3.170 1.00 0.00 C ATOM 297 C GLY A 23 -7.448 10.221 -2.405 1.00 0.00 C ATOM 298 O GLY A 23 -6.348 9.849 -2.807 1.00 0.00 O ATOM 0 H GLY A 23 -9.951 10.262 -2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.837 11.382 -4.180 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.109 12.255 -2.685 1.00 0.00 H new ATOM 302 N ASP A 24 -8.044 9.761 -1.314 1.00 0.00 N ATOM 303 CA ASP A 24 -7.413 8.745 -0.489 1.00 0.00 C ATOM 304 C ASP A 24 -7.746 7.361 -1.048 1.00 0.00 C ATOM 305 O ASP A 24 -8.907 7.060 -1.321 1.00 0.00 O ATOM 306 CB ASP A 24 -7.925 8.809 0.951 1.00 0.00 C ATOM 307 CG ASP A 24 -7.328 9.933 1.801 1.00 0.00 C ATOM 308 OD1 ASP A 24 -7.339 11.082 1.310 1.00 0.00 O ATOM 309 OD2 ASP A 24 -6.874 9.616 2.922 1.00 0.00 O ATOM 0 H ASP A 24 -8.957 10.073 -0.983 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.338 8.924 -0.498 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.009 8.926 0.930 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.716 7.856 1.437 1.00 0.00 H new ATOM 314 N LEU A 25 -6.706 6.554 -1.202 1.00 0.00 N ATOM 315 CA LEU A 25 -6.873 5.208 -1.723 1.00 0.00 C ATOM 316 C LEU A 25 -7.654 4.367 -0.711 1.00 0.00 C ATOM 317 O LEU A 25 -7.267 4.272 0.452 1.00 0.00 O ATOM 318 CB LEU A 25 -5.518 4.609 -2.105 1.00 0.00 C ATOM 319 CG LEU A 25 -5.563 3.321 -2.929 1.00 0.00 C ATOM 320 CD1 LEU A 25 -6.074 3.593 -4.345 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.199 2.627 -2.936 1.00 0.00 C ATOM 0 H LEU A 25 -5.744 6.807 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.458 5.226 -2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.958 5.357 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.959 4.412 -1.190 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.270 2.639 -2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.096 2.661 -4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.080 4.011 -4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.411 4.302 -4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.258 1.714 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.454 3.294 -3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.912 2.378 -1.914 1.00 0.00 H new ATOM 333 N THR A 26 -8.739 3.778 -1.191 1.00 0.00 N ATOM 334 CA THR A 26 -9.578 2.948 -0.343 1.00 0.00 C ATOM 335 C THR A 26 -9.153 1.482 -0.444 1.00 0.00 C ATOM 336 O THR A 26 -9.077 0.928 -1.540 1.00 0.00 O ATOM 337 CB THR A 26 -11.036 3.187 -0.741 1.00 0.00 C ATOM 338 OG1 THR A 26 -11.035 3.055 -2.160 1.00 0.00 O ATOM 339 CG2 THR A 26 -11.479 4.632 -0.502 1.00 0.00 C ATOM 0 H THR A 26 -9.057 3.859 -2.157 1.00 0.00 H new ATOM 0 HA THR A 26 -9.465 3.215 0.708 1.00 0.00 H new ATOM 0 HB THR A 26 -11.681 2.512 -0.178 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.452 2.311 -2.419 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.521 4.747 -0.801 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.376 4.874 0.556 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.856 5.306 -1.090 1.00 0.00 H new ATOM 347 N PHE A 27 -8.886 0.895 0.713 1.00 0.00 N ATOM 348 CA PHE A 27 -8.471 -0.496 0.769 1.00 0.00 C ATOM 349 C PHE A 27 -8.874 -1.136 2.099 1.00 0.00 C ATOM 350 O PHE A 27 -9.449 -0.474 2.962 1.00 0.00 O ATOM 351 CB PHE A 27 -6.945 -0.513 0.650 1.00 0.00 C ATOM 352 CG PHE A 27 -6.233 0.395 1.655 1.00 0.00 C ATOM 353 CD1 PHE A 27 -6.074 1.718 1.383 1.00 0.00 C ATOM 354 CD2 PHE A 27 -5.759 -0.122 2.821 1.00 0.00 C ATOM 355 CE1 PHE A 27 -5.413 2.560 2.316 1.00 0.00 C ATOM 356 CE2 PHE A 27 -5.098 0.721 3.753 1.00 0.00 C ATOM 357 CZ PHE A 27 -4.939 2.044 3.481 1.00 0.00 C ATOM 0 H PHE A 27 -8.949 1.358 1.620 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.948 -1.059 -0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.592 -1.535 0.785 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.666 -0.210 -0.359 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.450 2.128 0.458 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.885 -1.173 3.037 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.287 3.611 2.100 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.721 0.311 4.679 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.436 2.685 4.190 1.00 0.00 H new ATOM 367 N THR A 28 -8.556 -2.416 2.224 1.00 0.00 N ATOM 368 CA THR A 28 -8.878 -3.153 3.434 1.00 0.00 C ATOM 369 C THR A 28 -7.606 -3.721 4.067 1.00 0.00 C ATOM 370 O THR A 28 -6.498 -3.365 3.668 1.00 0.00 O ATOM 371 CB THR A 28 -9.909 -4.225 3.076 1.00 0.00 C ATOM 372 OG1 THR A 28 -9.371 -4.849 1.913 1.00 0.00 O ATOM 373 CG2 THR A 28 -11.233 -3.626 2.598 1.00 0.00 C ATOM 0 H THR A 28 -8.078 -2.962 1.507 1.00 0.00 H new ATOM 0 HA THR A 28 -9.316 -2.500 4.189 1.00 0.00 H new ATOM 0 HB THR A 28 -10.089 -4.860 3.944 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.921 -4.619 1.135 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.930 -4.429 2.357 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.656 -3.003 3.386 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.058 -3.019 1.710 1.00 0.00 H new ATOM 381 N GLU A 29 -7.807 -4.594 5.043 1.00 0.00 N ATOM 382 CA GLU A 29 -6.691 -5.214 5.734 1.00 0.00 C ATOM 383 C GLU A 29 -6.235 -6.470 4.987 1.00 0.00 C ATOM 384 O GLU A 29 -7.059 -7.285 4.577 1.00 0.00 O ATOM 385 CB GLU A 29 -7.056 -5.541 7.184 1.00 0.00 C ATOM 386 CG GLU A 29 -6.181 -6.672 7.728 1.00 0.00 C ATOM 387 CD GLU A 29 -6.918 -8.012 7.669 1.00 0.00 C ATOM 388 OE1 GLU A 29 -7.707 -8.184 6.716 1.00 0.00 O ATOM 389 OE2 GLU A 29 -6.674 -8.834 8.578 1.00 0.00 O ATOM 0 H GLU A 29 -8.727 -4.886 5.371 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.863 -4.505 5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.934 -4.652 7.803 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.106 -5.828 7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.259 -6.734 7.149 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.897 -6.454 8.758 1.00 0.00 H new ATOM 396 N GLY A 30 -4.924 -6.585 4.835 1.00 0.00 N ATOM 397 CA GLY A 30 -4.349 -7.727 4.144 1.00 0.00 C ATOM 398 C GLY A 30 -4.092 -7.405 2.671 1.00 0.00 C ATOM 399 O GLY A 30 -3.187 -7.968 2.057 1.00 0.00 O ATOM 0 H GLY A 30 -4.244 -5.907 5.178 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.414 -8.015 4.625 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.023 -8.580 4.221 1.00 0.00 H new ATOM 403 N GLU A 31 -4.905 -6.500 2.146 1.00 0.00 N ATOM 404 CA GLU A 31 -4.778 -6.097 0.756 1.00 0.00 C ATOM 405 C GLU A 31 -3.333 -5.695 0.450 1.00 0.00 C ATOM 406 O GLU A 31 -2.626 -5.196 1.324 1.00 0.00 O ATOM 407 CB GLU A 31 -5.745 -4.959 0.424 1.00 0.00 C ATOM 408 CG GLU A 31 -7.157 -5.494 0.177 1.00 0.00 C ATOM 409 CD GLU A 31 -8.082 -4.386 -0.332 1.00 0.00 C ATOM 410 OE1 GLU A 31 -7.634 -3.220 -0.312 1.00 0.00 O ATOM 411 OE2 GLU A 31 -9.215 -4.732 -0.730 1.00 0.00 O ATOM 0 H GLU A 31 -5.654 -6.034 2.658 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.040 -6.947 0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.763 -4.241 1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.395 -4.425 -0.460 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.120 -6.305 -0.550 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.558 -5.912 1.100 1.00 0.00 H new ATOM 418 N GLU A 32 -2.938 -5.927 -0.793 1.00 0.00 N ATOM 419 CA GLU A 32 -1.591 -5.596 -1.224 1.00 0.00 C ATOM 420 C GLU A 32 -1.594 -4.285 -2.014 1.00 0.00 C ATOM 421 O GLU A 32 -2.013 -4.253 -3.170 1.00 0.00 O ATOM 422 CB GLU A 32 -0.985 -6.732 -2.051 1.00 0.00 C ATOM 423 CG GLU A 32 0.077 -7.487 -1.249 1.00 0.00 C ATOM 424 CD GLU A 32 0.604 -8.690 -2.034 1.00 0.00 C ATOM 425 OE1 GLU A 32 0.696 -8.563 -3.274 1.00 0.00 O ATOM 426 OE2 GLU A 32 0.904 -9.709 -1.375 1.00 0.00 O ATOM 0 H GLU A 32 -3.528 -6.340 -1.515 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.969 -5.463 -0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.771 -7.421 -2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.540 -6.328 -2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.901 -6.816 -1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.347 -7.823 -0.303 1.00 0.00 H new ATOM 433 N ILE A 33 -1.122 -3.235 -1.357 1.00 0.00 N ATOM 434 CA ILE A 33 -1.065 -1.925 -1.983 1.00 0.00 C ATOM 435 C ILE A 33 0.325 -1.713 -2.587 1.00 0.00 C ATOM 436 O ILE A 33 1.335 -1.966 -1.932 1.00 0.00 O ATOM 437 CB ILE A 33 -1.475 -0.838 -0.988 1.00 0.00 C ATOM 438 CG1 ILE A 33 -2.969 -0.926 -0.665 1.00 0.00 C ATOM 439 CG2 ILE A 33 -1.080 0.550 -1.498 1.00 0.00 C ATOM 440 CD1 ILE A 33 -3.220 -0.707 0.828 1.00 0.00 C ATOM 0 H ILE A 33 -0.776 -3.265 -0.398 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.782 -1.863 -2.802 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.933 -1.005 -0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.514 -0.180 -1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.352 -1.902 -0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.383 1.304 -0.772 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.000 0.593 -1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.576 0.743 -2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.289 -0.774 1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.693 -1.470 1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.857 0.279 1.117 1.00 0.00 H new ATOM 452 N LEU A 34 0.332 -1.251 -3.828 1.00 0.00 N ATOM 453 CA LEU A 34 1.581 -1.002 -4.527 1.00 0.00 C ATOM 454 C LEU A 34 1.917 0.488 -4.448 1.00 0.00 C ATOM 455 O LEU A 34 1.345 1.297 -5.178 1.00 0.00 O ATOM 456 CB LEU A 34 1.511 -1.542 -5.958 1.00 0.00 C ATOM 457 CG LEU A 34 2.800 -1.439 -6.776 1.00 0.00 C ATOM 458 CD1 LEU A 34 3.983 -2.038 -6.014 1.00 0.00 C ATOM 459 CD2 LEU A 34 2.625 -2.078 -8.156 1.00 0.00 C ATOM 0 H LEU A 34 -0.508 -1.042 -4.368 1.00 0.00 H new ATOM 0 HA LEU A 34 2.399 -1.539 -4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.213 -2.590 -5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.723 -1.008 -6.489 1.00 0.00 H new ATOM 0 HG LEU A 34 3.021 -0.383 -6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.886 -1.952 -6.618 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.121 -1.501 -5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.786 -3.089 -5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.555 -1.992 -8.718 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.368 -3.131 -8.039 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.827 -1.567 -8.695 1.00 0.00 H new ATOM 471 N VAL A 35 2.843 0.807 -3.556 1.00 0.00 N ATOM 472 CA VAL A 35 3.261 2.186 -3.372 1.00 0.00 C ATOM 473 C VAL A 35 4.349 2.525 -4.393 1.00 0.00 C ATOM 474 O VAL A 35 5.317 1.781 -4.545 1.00 0.00 O ATOM 475 CB VAL A 35 3.709 2.409 -1.926 1.00 0.00 C ATOM 476 CG1 VAL A 35 3.940 3.895 -1.646 1.00 0.00 C ATOM 477 CG2 VAL A 35 2.699 1.816 -0.942 1.00 0.00 C ATOM 0 H VAL A 35 3.316 0.134 -2.953 1.00 0.00 H new ATOM 0 HA VAL A 35 2.426 2.864 -3.548 1.00 0.00 H new ATOM 0 HB VAL A 35 4.658 1.891 -1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.258 4.025 -0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.713 4.275 -2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.014 4.445 -1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.041 1.988 0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.729 2.292 -1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.606 0.744 -1.118 1.00 0.00 H new ATOM 487 N THR A 36 4.154 3.649 -5.067 1.00 0.00 N ATOM 488 CA THR A 36 5.106 4.096 -6.069 1.00 0.00 C ATOM 489 C THR A 36 5.686 5.458 -5.684 1.00 0.00 C ATOM 490 O THR A 36 6.872 5.713 -5.891 1.00 0.00 O ATOM 491 CB THR A 36 4.398 4.099 -7.426 1.00 0.00 C ATOM 492 OG1 THR A 36 3.444 5.151 -7.317 1.00 0.00 O ATOM 493 CG2 THR A 36 3.548 2.846 -7.645 1.00 0.00 C ATOM 0 H THR A 36 3.350 4.264 -4.939 1.00 0.00 H new ATOM 0 HA THR A 36 5.959 3.421 -6.132 1.00 0.00 H new ATOM 0 HB THR A 36 5.138 4.179 -8.222 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.941 5.224 -8.155 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.068 2.898 -8.622 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.184 1.962 -7.600 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.785 2.783 -6.869 1.00 0.00 H new ATOM 501 N GLN A 37 4.824 6.298 -5.132 1.00 0.00 N ATOM 502 CA GLN A 37 5.236 7.628 -4.716 1.00 0.00 C ATOM 503 C GLN A 37 5.044 7.796 -3.207 1.00 0.00 C ATOM 504 O GLN A 37 3.979 7.485 -2.675 1.00 0.00 O ATOM 505 CB GLN A 37 4.472 8.705 -5.489 1.00 0.00 C ATOM 506 CG GLN A 37 5.436 9.663 -6.191 1.00 0.00 C ATOM 507 CD GLN A 37 6.584 10.066 -5.263 1.00 0.00 C ATOM 508 OE1 GLN A 37 7.694 9.568 -5.354 1.00 0.00 O ATOM 509 NE2 GLN A 37 6.255 10.992 -4.367 1.00 0.00 N ATOM 0 H GLN A 37 3.841 6.084 -4.963 1.00 0.00 H new ATOM 0 HA GLN A 37 6.296 7.746 -4.943 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.820 8.236 -6.225 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.832 9.263 -4.806 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.837 9.189 -7.087 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.897 10.553 -6.516 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.307 11.367 -4.346 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.951 11.327 -3.701 1.00 0.00 H new ATOM 518 N LYS A 38 6.091 8.287 -2.561 1.00 0.00 N ATOM 519 CA LYS A 38 6.051 8.499 -1.124 1.00 0.00 C ATOM 520 C LYS A 38 6.194 9.994 -0.830 1.00 0.00 C ATOM 521 O LYS A 38 7.295 10.539 -0.887 1.00 0.00 O ATOM 522 CB LYS A 38 7.100 7.632 -0.424 1.00 0.00 C ATOM 523 CG LYS A 38 6.889 6.151 -0.745 1.00 0.00 C ATOM 524 CD LYS A 38 7.657 5.263 0.236 1.00 0.00 C ATOM 525 CE LYS A 38 7.637 3.801 -0.217 1.00 0.00 C ATOM 526 NZ LYS A 38 8.983 3.378 -0.663 1.00 0.00 N ATOM 0 H LYS A 38 6.972 8.544 -3.006 1.00 0.00 H new ATOM 0 HA LYS A 38 5.089 8.184 -0.719 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.098 7.937 -0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.044 7.786 0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.826 5.913 -0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.220 5.945 -1.763 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.688 5.609 0.315 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.216 5.346 1.229 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.302 3.165 0.602 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.922 3.676 -1.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.952 3.127 -1.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.657 4.157 -0.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.288 2.552 -0.110 1.00 0.00 H new ATOM 540 N ASP A 39 5.065 10.614 -0.521 1.00 0.00 N ATOM 541 CA ASP A 39 5.050 12.035 -0.218 1.00 0.00 C ATOM 542 C ASP A 39 4.967 12.228 1.298 1.00 0.00 C ATOM 543 O ASP A 39 3.903 12.056 1.891 1.00 0.00 O ATOM 544 CB ASP A 39 3.837 12.721 -0.849 1.00 0.00 C ATOM 545 CG ASP A 39 3.925 14.246 -0.929 1.00 0.00 C ATOM 546 OD1 ASP A 39 4.598 14.823 -0.047 1.00 0.00 O ATOM 547 OD2 ASP A 39 3.317 14.801 -1.870 1.00 0.00 O ATOM 0 H ASP A 39 4.154 10.158 -0.474 1.00 0.00 H new ATOM 0 HA ASP A 39 5.962 12.475 -0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.699 12.327 -1.856 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.949 12.453 -0.277 1.00 0.00 H new ATOM 552 N GLY A 40 6.103 12.582 1.881 1.00 0.00 N ATOM 553 CA GLY A 40 6.171 12.800 3.315 1.00 0.00 C ATOM 554 C GLY A 40 5.764 11.540 4.082 1.00 0.00 C ATOM 555 O GLY A 40 6.399 10.495 3.948 1.00 0.00 O ATOM 0 H GLY A 40 6.983 12.723 1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.184 13.089 3.595 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.516 13.626 3.592 1.00 0.00 H new ATOM 559 N GLU A 41 4.707 11.681 4.868 1.00 0.00 N ATOM 560 CA GLU A 41 4.207 10.567 5.656 1.00 0.00 C ATOM 561 C GLU A 41 3.137 9.802 4.874 1.00 0.00 C ATOM 562 O GLU A 41 3.048 8.579 4.970 1.00 0.00 O ATOM 563 CB GLU A 41 3.663 11.048 7.002 1.00 0.00 C ATOM 564 CG GLU A 41 3.387 9.867 7.936 1.00 0.00 C ATOM 565 CD GLU A 41 3.910 10.149 9.346 1.00 0.00 C ATOM 566 OE1 GLU A 41 3.754 11.308 9.788 1.00 0.00 O ATOM 567 OE2 GLU A 41 4.454 9.199 9.950 1.00 0.00 O ATOM 0 H GLU A 41 4.183 12.549 4.976 1.00 0.00 H new ATOM 0 HA GLU A 41 5.036 9.889 5.858 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.380 11.724 7.467 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.745 11.615 6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.315 9.672 7.974 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.861 8.968 7.541 1.00 0.00 H new ATOM 574 N TRP A 42 2.351 10.554 4.118 1.00 0.00 N ATOM 575 CA TRP A 42 1.290 9.962 3.320 1.00 0.00 C ATOM 576 C TRP A 42 1.873 9.600 1.953 1.00 0.00 C ATOM 577 O TRP A 42 2.209 10.482 1.164 1.00 0.00 O ATOM 578 CB TRP A 42 0.085 10.901 3.227 1.00 0.00 C ATOM 579 CG TRP A 42 -0.677 11.068 4.544 1.00 0.00 C ATOM 580 CD1 TRP A 42 -0.337 11.814 5.604 1.00 0.00 C ATOM 581 CD2 TRP A 42 -1.928 10.443 4.898 1.00 0.00 C ATOM 582 NE1 TRP A 42 -1.275 11.715 6.612 1.00 0.00 N ATOM 583 CE2 TRP A 42 -2.272 10.855 6.169 1.00 0.00 C ATOM 584 CE3 TRP A 42 -2.742 9.558 4.169 1.00 0.00 C ATOM 585 CZ2 TRP A 42 -3.437 10.434 6.822 1.00 0.00 C ATOM 586 CZ3 TRP A 42 -3.902 9.146 4.836 1.00 0.00 C ATOM 587 CH2 TRP A 42 -4.263 9.552 6.115 1.00 0.00 C ATOM 0 H TRP A 42 2.427 11.568 4.041 1.00 0.00 H new ATOM 0 HA TRP A 42 0.915 9.053 3.790 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.425 11.880 2.889 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.600 10.523 2.468 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.558 12.416 5.662 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.242 12.187 7.516 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.492 9.223 3.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.685 10.772 7.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.563 8.465 4.320 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.177 9.189 6.562 1.00 0.00 H new ATOM 598 N TRP A 43 1.975 8.301 1.714 1.00 0.00 N ATOM 599 CA TRP A 43 2.512 7.811 0.456 1.00 0.00 C ATOM 600 C TRP A 43 1.335 7.511 -0.475 1.00 0.00 C ATOM 601 O TRP A 43 0.202 7.361 -0.020 1.00 0.00 O ATOM 602 CB TRP A 43 3.420 6.601 0.681 1.00 0.00 C ATOM 603 CG TRP A 43 4.458 6.799 1.787 1.00 0.00 C ATOM 604 CD1 TRP A 43 5.045 7.940 2.173 1.00 0.00 C ATOM 605 CD2 TRP A 43 5.011 5.775 2.640 1.00 0.00 C ATOM 606 NE1 TRP A 43 5.933 7.728 3.208 1.00 0.00 N ATOM 607 CE2 TRP A 43 5.912 6.369 3.501 1.00 0.00 C ATOM 608 CE3 TRP A 43 4.759 4.393 2.683 1.00 0.00 C ATOM 609 CZ2 TRP A 43 6.632 5.657 4.468 1.00 0.00 C ATOM 610 CZ3 TRP A 43 5.487 3.695 3.655 1.00 0.00 C ATOM 611 CH2 TRP A 43 6.397 4.279 4.529 1.00 0.00 C ATOM 0 H TRP A 43 1.695 7.572 2.371 1.00 0.00 H new ATOM 0 HA TRP A 43 3.144 8.565 -0.013 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.803 5.737 0.927 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.936 6.369 -0.250 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.848 8.905 1.730 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.500 8.437 3.672 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.059 3.907 2.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.331 6.145 5.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.331 2.629 3.731 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.921 3.671 5.252 1.00 0.00 H new ATOM 622 N THR A 44 1.644 7.431 -1.761 1.00 0.00 N ATOM 623 CA THR A 44 0.626 7.152 -2.759 1.00 0.00 C ATOM 624 C THR A 44 0.657 5.673 -3.152 1.00 0.00 C ATOM 625 O THR A 44 1.643 5.197 -3.713 1.00 0.00 O ATOM 626 CB THR A 44 0.849 8.099 -3.940 1.00 0.00 C ATOM 627 OG1 THR A 44 0.591 9.392 -3.400 1.00 0.00 O ATOM 628 CG2 THR A 44 -0.210 7.933 -5.032 1.00 0.00 C ATOM 0 H THR A 44 2.585 7.555 -2.135 1.00 0.00 H new ATOM 0 HA THR A 44 -0.374 7.331 -2.365 1.00 0.00 H new ATOM 0 HB THR A 44 1.838 7.924 -4.364 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.714 10.069 -4.098 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.005 8.628 -5.846 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.184 6.912 -5.412 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.196 8.141 -4.617 1.00 0.00 H new ATOM 636 N GLY A 45 -0.434 4.989 -2.843 1.00 0.00 N ATOM 637 CA GLY A 45 -0.545 3.574 -3.157 1.00 0.00 C ATOM 638 C GLY A 45 -1.338 3.359 -4.447 1.00 0.00 C ATOM 639 O GLY A 45 -1.957 4.290 -4.962 1.00 0.00 O ATOM 0 H GLY A 45 -1.250 5.388 -2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.450 3.142 -3.262 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.034 3.053 -2.334 1.00 0.00 H new ATOM 643 N SER A 46 -1.295 2.127 -4.933 1.00 0.00 N ATOM 644 CA SER A 46 -2.002 1.778 -6.153 1.00 0.00 C ATOM 645 C SER A 46 -2.557 0.356 -6.048 1.00 0.00 C ATOM 646 O SER A 46 -1.924 -0.519 -5.460 1.00 0.00 O ATOM 647 CB SER A 46 -1.089 1.902 -7.374 1.00 0.00 C ATOM 648 OG SER A 46 -1.798 2.343 -8.529 1.00 0.00 O ATOM 0 H SER A 46 -0.781 1.358 -4.503 1.00 0.00 H new ATOM 0 HA SER A 46 -2.830 2.476 -6.280 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.283 2.602 -7.154 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.626 0.937 -7.580 1.00 0.00 H new ATOM 0 HG SER A 46 -2.401 3.076 -8.283 1.00 0.00 H new ATOM 654 N ILE A 47 -3.735 0.170 -6.626 1.00 0.00 N ATOM 655 CA ILE A 47 -4.382 -1.130 -6.605 1.00 0.00 C ATOM 656 C ILE A 47 -4.999 -1.411 -7.977 1.00 0.00 C ATOM 657 O ILE A 47 -5.974 -0.770 -8.366 1.00 0.00 O ATOM 658 CB ILE A 47 -5.384 -1.211 -5.452 1.00 0.00 C ATOM 659 CG1 ILE A 47 -4.689 -1.002 -4.105 1.00 0.00 C ATOM 660 CG2 ILE A 47 -6.166 -2.526 -5.496 1.00 0.00 C ATOM 661 CD1 ILE A 47 -5.707 -0.953 -2.964 1.00 0.00 C ATOM 0 H ILE A 47 -4.258 0.899 -7.112 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.651 -1.916 -6.417 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.106 -0.403 -5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.979 -1.810 -3.929 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.117 -0.074 -4.127 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.871 -2.558 -4.666 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.711 -2.594 -6.438 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.474 -3.364 -5.416 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.186 -0.804 -2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.401 -0.129 -3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.260 -1.892 -2.929 1.00 0.00 H new ATOM 673 N GLY A 48 -4.405 -2.369 -8.672 1.00 0.00 N ATOM 674 CA GLY A 48 -4.883 -2.742 -9.993 1.00 0.00 C ATOM 675 C GLY A 48 -4.690 -1.598 -10.990 1.00 0.00 C ATOM 676 O GLY A 48 -3.864 -1.693 -11.896 1.00 0.00 O ATOM 0 H GLY A 48 -3.597 -2.899 -8.346 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.348 -3.626 -10.341 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.939 -3.008 -9.940 1.00 0.00 H new ATOM 680 N ASP A 49 -5.465 -0.543 -10.788 1.00 0.00 N ATOM 681 CA ASP A 49 -5.389 0.618 -11.658 1.00 0.00 C ATOM 682 C ASP A 49 -5.932 1.842 -10.918 1.00 0.00 C ATOM 683 O ASP A 49 -6.426 2.781 -11.541 1.00 0.00 O ATOM 684 CB ASP A 49 -6.231 0.417 -12.920 1.00 0.00 C ATOM 685 CG ASP A 49 -6.139 1.549 -13.946 1.00 0.00 C ATOM 686 OD1 ASP A 49 -5.306 2.453 -13.720 1.00 0.00 O ATOM 687 OD2 ASP A 49 -6.905 1.484 -14.932 1.00 0.00 O ATOM 0 H ASP A 49 -6.149 -0.468 -10.035 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.346 0.760 -11.939 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.924 -0.513 -13.399 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.274 0.296 -12.627 1.00 0.00 H new ATOM 692 N ARG A 50 -5.823 1.792 -9.598 1.00 0.00 N ATOM 693 CA ARG A 50 -6.298 2.884 -8.766 1.00 0.00 C ATOM 694 C ARG A 50 -5.116 3.622 -8.134 1.00 0.00 C ATOM 695 O ARG A 50 -4.025 3.065 -8.013 1.00 0.00 O ATOM 696 CB ARG A 50 -7.222 2.372 -7.659 1.00 0.00 C ATOM 697 CG ARG A 50 -8.386 1.570 -8.244 1.00 0.00 C ATOM 698 CD ARG A 50 -9.372 1.157 -7.149 1.00 0.00 C ATOM 699 NE ARG A 50 -9.517 -0.315 -7.128 1.00 0.00 N ATOM 700 CZ ARG A 50 -10.428 -0.970 -6.395 1.00 0.00 C ATOM 701 NH1 ARG A 50 -11.280 -0.287 -5.619 1.00 0.00 N ATOM 702 NH2 ARG A 50 -10.487 -2.308 -6.438 1.00 0.00 N ATOM 0 H ARG A 50 -5.413 1.012 -9.085 1.00 0.00 H new ATOM 0 HA ARG A 50 -6.859 3.567 -9.404 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.656 1.747 -6.968 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.608 3.214 -7.084 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.902 2.167 -8.997 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.004 0.682 -8.748 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -9.020 1.510 -6.180 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.341 1.624 -7.326 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.884 -0.866 -7.708 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.235 0.731 -5.586 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.973 -0.785 -5.061 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.838 -2.828 -7.029 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.180 -2.806 -5.880 1.00 0.00 H new ATOM 716 N SER A 51 -5.372 4.863 -7.747 1.00 0.00 N ATOM 717 CA SER A 51 -4.343 5.682 -7.130 1.00 0.00 C ATOM 718 C SER A 51 -4.965 6.597 -6.074 1.00 0.00 C ATOM 719 O SER A 51 -6.154 6.908 -6.139 1.00 0.00 O ATOM 720 CB SER A 51 -3.597 6.511 -8.178 1.00 0.00 C ATOM 721 OG SER A 51 -4.202 6.414 -9.465 1.00 0.00 O ATOM 0 H SER A 51 -6.278 5.321 -7.849 1.00 0.00 H new ATOM 0 HA SER A 51 -3.623 5.021 -6.649 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.575 7.555 -7.866 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.562 6.174 -8.237 1.00 0.00 H new ATOM 0 HG SER A 51 -3.698 6.958 -10.105 1.00 0.00 H new ATOM 727 N GLY A 52 -4.135 7.003 -5.125 1.00 0.00 N ATOM 728 CA GLY A 52 -4.589 7.876 -4.056 1.00 0.00 C ATOM 729 C GLY A 52 -3.577 7.910 -2.908 1.00 0.00 C ATOM 730 O GLY A 52 -2.497 7.330 -3.011 1.00 0.00 O ATOM 0 H GLY A 52 -3.150 6.743 -5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.739 8.884 -4.444 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.554 7.531 -3.685 1.00 0.00 H new ATOM 734 N ILE A 53 -3.962 8.595 -1.842 1.00 0.00 N ATOM 735 CA ILE A 53 -3.102 8.713 -0.677 1.00 0.00 C ATOM 736 C ILE A 53 -3.586 7.748 0.408 1.00 0.00 C ATOM 737 O ILE A 53 -4.742 7.329 0.400 1.00 0.00 O ATOM 738 CB ILE A 53 -3.023 10.169 -0.214 1.00 0.00 C ATOM 739 CG1 ILE A 53 -4.393 10.674 0.243 1.00 0.00 C ATOM 740 CG2 ILE A 53 -2.419 11.058 -1.303 1.00 0.00 C ATOM 741 CD1 ILE A 53 -4.254 11.928 1.110 1.00 0.00 C ATOM 0 H ILE A 53 -4.859 9.074 -1.760 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.080 8.427 -0.927 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.358 10.218 0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.012 10.896 -0.627 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.903 9.893 0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.374 12.088 -0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.413 10.711 -1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.039 11.009 -2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.242 12.266 1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.655 11.697 1.991 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.765 12.715 0.536 1.00 0.00 H new ATOM 753 N PHE A 54 -2.676 7.425 1.315 1.00 0.00 N ATOM 754 CA PHE A 54 -2.996 6.518 2.404 1.00 0.00 C ATOM 755 C PHE A 54 -1.986 6.654 3.545 1.00 0.00 C ATOM 756 O PHE A 54 -0.895 7.190 3.354 1.00 0.00 O ATOM 757 CB PHE A 54 -2.921 5.097 1.840 1.00 0.00 C ATOM 758 CG PHE A 54 -1.497 4.617 1.551 1.00 0.00 C ATOM 759 CD1 PHE A 54 -0.711 4.172 2.568 1.00 0.00 C ATOM 760 CD2 PHE A 54 -1.019 4.633 0.279 1.00 0.00 C ATOM 761 CE1 PHE A 54 0.611 3.726 2.300 1.00 0.00 C ATOM 762 CE2 PHE A 54 0.302 4.187 0.011 1.00 0.00 C ATOM 763 CZ PHE A 54 1.089 3.743 1.028 1.00 0.00 C ATOM 0 H PHE A 54 -1.718 7.775 1.318 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.985 6.747 2.800 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.388 4.411 2.547 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.503 5.051 0.919 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.092 4.158 3.579 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.644 4.985 -0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.236 3.373 3.107 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.682 4.200 -1.000 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.094 3.404 0.824 1.00 0.00 H new ATOM 773 N PRO A 55 -2.395 6.146 4.739 1.00 0.00 N ATOM 774 CA PRO A 55 -1.538 6.206 5.911 1.00 0.00 C ATOM 775 C PRO A 55 -0.411 5.175 5.819 1.00 0.00 C ATOM 776 O PRO A 55 -0.668 3.975 5.739 1.00 0.00 O ATOM 777 CB PRO A 55 -2.467 5.967 7.090 1.00 0.00 C ATOM 778 CG PRO A 55 -3.717 5.323 6.512 1.00 0.00 C ATOM 779 CD PRO A 55 -3.679 5.504 5.003 1.00 0.00 C ATOM 0 HA PRO A 55 -1.028 7.164 6.011 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.000 5.317 7.830 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.707 6.903 7.594 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.755 4.264 6.769 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.612 5.784 6.929 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.757 4.547 4.487 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.509 6.121 4.657 1.00 0.00 H new ATOM 787 N SER A 56 0.813 5.681 5.834 1.00 0.00 N ATOM 788 CA SER A 56 1.981 4.820 5.754 1.00 0.00 C ATOM 789 C SER A 56 2.191 4.098 7.087 1.00 0.00 C ATOM 790 O SER A 56 3.099 3.278 7.216 1.00 0.00 O ATOM 791 CB SER A 56 3.230 5.619 5.379 1.00 0.00 C ATOM 792 OG SER A 56 3.822 6.247 6.513 1.00 0.00 O ATOM 0 H SER A 56 1.022 6.677 5.900 1.00 0.00 H new ATOM 0 HA SER A 56 1.808 4.081 4.972 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.958 4.956 4.911 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.968 6.377 4.641 1.00 0.00 H new ATOM 0 HG SER A 56 3.866 7.215 6.365 1.00 0.00 H new ATOM 798 N ASN A 57 1.338 4.431 8.044 1.00 0.00 N ATOM 799 CA ASN A 57 1.420 3.825 9.362 1.00 0.00 C ATOM 800 C ASN A 57 0.400 2.688 9.461 1.00 0.00 C ATOM 801 O ASN A 57 0.315 2.013 10.485 1.00 0.00 O ATOM 802 CB ASN A 57 1.098 4.844 10.458 1.00 0.00 C ATOM 803 CG ASN A 57 -0.104 5.707 10.068 1.00 0.00 C ATOM 804 OD1 ASN A 57 -0.275 6.099 8.926 1.00 0.00 O ATOM 805 ND2 ASN A 57 -0.924 5.979 11.079 1.00 0.00 N ATOM 0 H ASN A 57 0.587 5.112 7.933 1.00 0.00 H new ATOM 0 HA ASN A 57 2.436 3.455 9.500 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.889 4.324 11.393 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.965 5.480 10.634 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.756 6.548 10.922 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.721 5.619 12.011 1.00 0.00 H new ATOM 812 N TYR A 58 -0.347 2.512 8.381 1.00 0.00 N ATOM 813 CA TYR A 58 -1.357 1.469 8.333 1.00 0.00 C ATOM 814 C TYR A 58 -0.963 0.369 7.344 1.00 0.00 C ATOM 815 O TYR A 58 -1.728 -0.566 7.113 1.00 0.00 O ATOM 816 CB TYR A 58 -2.639 2.145 7.841 1.00 0.00 C ATOM 817 CG TYR A 58 -3.418 2.873 8.938 1.00 0.00 C ATOM 818 CD1 TYR A 58 -2.761 3.728 9.799 1.00 0.00 C ATOM 819 CD2 TYR A 58 -4.778 2.675 9.066 1.00 0.00 C ATOM 820 CE1 TYR A 58 -3.495 4.414 10.831 1.00 0.00 C ATOM 821 CE2 TYR A 58 -5.512 3.361 10.098 1.00 0.00 C ATOM 822 CZ TYR A 58 -4.834 4.197 10.930 1.00 0.00 C ATOM 823 OH TYR A 58 -5.527 4.844 11.905 1.00 0.00 O ATOM 0 H TYR A 58 -0.273 3.074 7.533 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.478 1.007 9.313 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.384 2.858 7.057 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.285 1.392 7.390 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.697 3.883 9.699 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.292 2.005 8.392 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.993 5.086 11.511 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.576 3.215 10.209 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.473 4.594 11.855 1.00 0.00 H new ATOM 833 N VAL A 59 0.229 0.519 6.787 1.00 0.00 N ATOM 834 CA VAL A 59 0.734 -0.450 5.828 1.00 0.00 C ATOM 835 C VAL A 59 2.145 -0.879 6.238 1.00 0.00 C ATOM 836 O VAL A 59 2.927 -0.065 6.727 1.00 0.00 O ATOM 837 CB VAL A 59 0.673 0.132 4.415 1.00 0.00 C ATOM 838 CG1 VAL A 59 -0.748 0.584 4.069 1.00 0.00 C ATOM 839 CG2 VAL A 59 1.669 1.282 4.252 1.00 0.00 C ATOM 0 H VAL A 59 0.860 1.296 6.981 1.00 0.00 H new ATOM 0 HA VAL A 59 0.111 -1.344 5.824 1.00 0.00 H new ATOM 0 HB VAL A 59 0.954 -0.656 3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.764 0.994 3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.425 -0.269 4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.069 1.349 4.776 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.605 1.678 3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.433 2.072 4.965 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.679 0.917 4.436 1.00 0.00 H new ATOM 849 N LYS A 60 2.426 -2.155 6.023 1.00 0.00 N ATOM 850 CA LYS A 60 3.729 -2.702 6.363 1.00 0.00 C ATOM 851 C LYS A 60 4.461 -3.100 5.080 1.00 0.00 C ATOM 852 O LYS A 60 3.831 -3.361 4.057 1.00 0.00 O ATOM 853 CB LYS A 60 3.584 -3.846 7.368 1.00 0.00 C ATOM 854 CG LYS A 60 3.032 -5.103 6.692 1.00 0.00 C ATOM 855 CD LYS A 60 3.373 -6.355 7.502 1.00 0.00 C ATOM 856 CE LYS A 60 2.296 -7.429 7.332 1.00 0.00 C ATOM 857 NZ LYS A 60 2.289 -8.344 8.495 1.00 0.00 N ATOM 0 H LYS A 60 1.774 -2.827 5.618 1.00 0.00 H new ATOM 0 HA LYS A 60 4.341 -1.948 6.859 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.553 -4.066 7.817 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.920 -3.542 8.177 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.951 -5.018 6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.446 -5.192 5.687 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.338 -6.748 7.181 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.469 -6.095 8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.318 -6.959 7.226 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.479 -7.994 6.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.553 -9.067 8.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.217 -8.806 8.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.093 -7.803 9.361 1.00 0.00 H new ATOM 871 N PRO A 61 5.817 -3.134 5.180 1.00 0.00 N ATOM 872 CA PRO A 61 6.642 -3.496 4.040 1.00 0.00 C ATOM 873 C PRO A 61 6.589 -5.002 3.780 1.00 0.00 C ATOM 874 O PRO A 61 7.024 -5.796 4.613 1.00 0.00 O ATOM 875 CB PRO A 61 8.037 -3.003 4.391 1.00 0.00 C ATOM 876 CG PRO A 61 8.041 -2.803 5.898 1.00 0.00 C ATOM 877 CD PRO A 61 6.598 -2.831 6.376 1.00 0.00 C ATOM 0 HA PRO A 61 6.296 -3.044 3.111 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.794 -3.727 4.091 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.264 -2.071 3.873 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.620 -3.587 6.386 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.510 -1.854 6.156 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.451 -3.587 7.147 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.305 -1.874 6.808 1.00 0.00 H new ATOM 885 N LYS A 62 6.050 -5.352 2.621 1.00 0.00 N ATOM 886 CA LYS A 62 5.934 -6.749 2.240 1.00 0.00 C ATOM 887 C LYS A 62 7.309 -7.414 2.331 1.00 0.00 C ATOM 888 O LYS A 62 8.124 -7.290 1.418 1.00 0.00 O ATOM 889 CB LYS A 62 5.279 -6.877 0.864 1.00 0.00 C ATOM 890 CG LYS A 62 4.394 -8.123 0.791 1.00 0.00 C ATOM 891 CD LYS A 62 3.532 -8.112 -0.473 1.00 0.00 C ATOM 892 CE LYS A 62 4.218 -8.871 -1.611 1.00 0.00 C ATOM 893 NZ LYS A 62 3.274 -9.092 -2.729 1.00 0.00 N ATOM 0 H LYS A 62 5.689 -4.691 1.933 1.00 0.00 H new ATOM 0 HA LYS A 62 5.277 -7.278 2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.681 -5.989 0.658 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.049 -6.928 0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.017 -9.017 0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.753 -8.170 1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.563 -8.565 -0.261 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.343 -7.083 -0.779 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.082 -8.308 -1.963 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.589 -9.829 -1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.804 -9.356 -3.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.615 -9.857 -2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.739 -8.219 -2.909 1.00 0.00 H new ATOM 907 N ASP A 63 7.524 -8.106 3.441 1.00 0.00 N ATOM 908 CA ASP A 63 8.786 -8.791 3.663 1.00 0.00 C ATOM 909 C ASP A 63 8.518 -10.275 3.918 1.00 0.00 C ATOM 910 O ASP A 63 7.517 -10.631 4.537 1.00 0.00 O ATOM 911 CB ASP A 63 9.513 -8.225 4.884 1.00 0.00 C ATOM 912 CG ASP A 63 10.995 -7.915 4.669 1.00 0.00 C ATOM 913 OD1 ASP A 63 11.567 -8.502 3.725 1.00 0.00 O ATOM 914 OD2 ASP A 63 11.524 -7.098 5.454 1.00 0.00 O ATOM 0 H ASP A 63 6.845 -8.207 4.196 1.00 0.00 H new ATOM 0 HA ASP A 63 9.406 -8.651 2.777 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.008 -7.311 5.197 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.422 -8.937 5.704 1.00 0.00 H new ATOM 919 N SER A 64 9.430 -11.101 3.427 1.00 0.00 N ATOM 920 CA SER A 64 9.305 -12.539 3.594 1.00 0.00 C ATOM 921 C SER A 64 7.902 -12.993 3.184 1.00 0.00 C ATOM 922 O SER A 64 7.072 -13.303 4.037 1.00 0.00 O ATOM 923 CB SER A 64 9.596 -12.954 5.038 1.00 0.00 C ATOM 924 OG SER A 64 10.987 -13.161 5.264 1.00 0.00 O ATOM 0 H SER A 64 10.259 -10.802 2.913 1.00 0.00 H new ATOM 0 HA SER A 64 10.040 -13.023 2.951 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.229 -12.185 5.717 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.051 -13.869 5.269 1.00 0.00 H new ATOM 0 HG SER A 64 11.131 -13.423 6.197 1.00 0.00 H new ATOM 930 N GLY A 65 7.681 -13.019 1.878 1.00 0.00 N ATOM 931 CA GLY A 65 6.394 -13.430 1.345 1.00 0.00 C ATOM 932 C GLY A 65 5.285 -12.476 1.794 1.00 0.00 C ATOM 933 O GLY A 65 5.560 -11.362 2.235 1.00 0.00 O ATOM 0 H GLY A 65 8.372 -12.762 1.173 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.438 -13.455 0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.165 -14.442 1.678 1.00 0.00 H new ATOM 937 N PRO A 66 4.021 -12.962 1.663 1.00 0.00 N ATOM 938 CA PRO A 66 2.869 -12.166 2.050 1.00 0.00 C ATOM 939 C PRO A 66 2.727 -12.112 3.572 1.00 0.00 C ATOM 940 O PRO A 66 2.473 -11.050 4.138 1.00 0.00 O ATOM 941 CB PRO A 66 1.685 -12.829 1.366 1.00 0.00 C ATOM 942 CG PRO A 66 2.144 -14.232 1.004 1.00 0.00 C ATOM 943 CD PRO A 66 3.657 -14.277 1.144 1.00 0.00 C ATOM 0 HA PRO A 66 2.956 -11.123 1.744 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.819 -12.860 2.027 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.387 -12.274 0.476 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.678 -14.967 1.660 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.847 -14.480 -0.015 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.968 -15.071 1.823 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.138 -14.471 0.185 1.00 0.00 H new ATOM 951 N SER A 67 2.898 -13.270 4.192 1.00 0.00 N ATOM 952 CA SER A 67 2.792 -13.368 5.638 1.00 0.00 C ATOM 953 C SER A 67 3.887 -14.288 6.182 1.00 0.00 C ATOM 954 O SER A 67 4.286 -15.243 5.518 1.00 0.00 O ATOM 955 CB SER A 67 1.412 -13.880 6.056 1.00 0.00 C ATOM 956 OG SER A 67 1.101 -15.131 5.448 1.00 0.00 O ATOM 0 H SER A 67 3.109 -14.149 3.719 1.00 0.00 H new ATOM 0 HA SER A 67 2.922 -12.371 6.059 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.377 -13.985 7.140 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.654 -13.146 5.783 1.00 0.00 H new ATOM 0 HG SER A 67 0.213 -15.425 5.741 1.00 0.00 H new ATOM 962 N SER A 68 4.341 -13.968 7.385 1.00 0.00 N ATOM 963 CA SER A 68 5.382 -14.753 8.026 1.00 0.00 C ATOM 964 C SER A 68 5.453 -14.412 9.515 1.00 0.00 C ATOM 965 O SER A 68 5.296 -15.288 10.365 1.00 0.00 O ATOM 966 CB SER A 68 6.739 -14.516 7.361 1.00 0.00 C ATOM 967 OG SER A 68 7.657 -15.573 7.628 1.00 0.00 O ATOM 0 H SER A 68 4.007 -13.175 7.933 1.00 0.00 H new ATOM 0 HA SER A 68 5.133 -15.808 7.914 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.603 -14.418 6.284 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.157 -13.574 7.716 1.00 0.00 H new ATOM 0 HG SER A 68 8.510 -15.385 7.185 1.00 0.00 H new ATOM 973 N GLY A 69 5.690 -13.137 9.787 1.00 0.00 N ATOM 974 CA GLY A 69 5.784 -12.669 11.159 1.00 0.00 C ATOM 975 C GLY A 69 7.244 -12.480 11.575 1.00 0.00 C ATOM 976 O GLY A 69 8.153 -12.953 10.895 1.00 0.00 O ATOM 0 H GLY A 69 5.820 -12.413 9.080 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.248 -11.726 11.263 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.302 -13.385 11.825 1.00 0.00 H new TER 980 GLY A 69