USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 567 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+ 180:sc= 0 (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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 24 ASN : amide:sc= -1.82! C(o=-1.8!,f=-2.2!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.75 K(o=-1.8,f=-5.9!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -161:sc= -0.0206 (180deg=-0.21) USER MOD Single : A 43 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.36) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -151:sc= -0.455 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0108 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.17) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.654 USER MOD Single : A 69 THR OG1 : rot 51:sc= 0.434 USER MOD Single : A 71 GLN : amide:sc= -0.145 K(o=-0.14,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.096 -1.332 -2.487 1.00 0.00 N ATOM 2 CA GLY A 1 -17.313 -1.140 -3.694 1.00 0.00 C ATOM 3 C GLY A 1 -16.369 0.042 -3.590 1.00 0.00 C ATOM 4 O GLY A 1 -16.771 1.187 -3.796 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.725 -2.151 -2.608 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.458 -1.501 -1.683 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.666 -0.482 -2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.738 -2.043 -3.898 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.985 -0.992 -4.540 1.00 0.00 H new ATOM 8 N SER A 2 -15.109 -0.236 -3.267 1.00 0.00 N ATOM 9 CA SER A 2 -14.106 0.814 -3.130 1.00 0.00 C ATOM 10 C SER A 2 -13.323 0.989 -4.428 1.00 0.00 C ATOM 11 O SER A 2 -12.978 0.013 -5.094 1.00 0.00 O ATOM 12 CB SER A 2 -13.149 0.487 -1.983 1.00 0.00 C ATOM 13 OG SER A 2 -12.406 -0.688 -2.258 1.00 0.00 O ATOM 0 H SER A 2 -14.759 -1.179 -3.096 1.00 0.00 H new ATOM 0 HA SER A 2 -14.621 1.749 -2.908 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.468 1.323 -1.824 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.714 0.356 -1.060 1.00 0.00 H new ATOM 0 HG SER A 2 -11.800 -0.875 -1.510 1.00 0.00 H new ATOM 19 N SER A 3 -13.045 2.240 -4.780 1.00 0.00 N ATOM 20 CA SER A 3 -12.306 2.545 -5.999 1.00 0.00 C ATOM 21 C SER A 3 -10.837 2.161 -5.854 1.00 0.00 C ATOM 22 O SER A 3 -10.309 1.373 -6.637 1.00 0.00 O ATOM 23 CB SER A 3 -12.426 4.033 -6.335 1.00 0.00 C ATOM 24 OG SER A 3 -11.942 4.302 -7.639 1.00 0.00 O ATOM 0 H SER A 3 -13.321 3.059 -4.238 1.00 0.00 H new ATOM 0 HA SER A 3 -12.737 1.961 -6.812 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.468 4.343 -6.259 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.865 4.620 -5.607 1.00 0.00 H new ATOM 0 HG SER A 3 -12.031 5.259 -7.830 1.00 0.00 H new ATOM 30 N GLY A 4 -10.181 2.726 -4.844 1.00 0.00 N ATOM 31 CA GLY A 4 -8.779 2.432 -4.613 1.00 0.00 C ATOM 32 C GLY A 4 -8.127 3.422 -3.668 1.00 0.00 C ATOM 33 O GLY A 4 -8.733 3.840 -2.682 1.00 0.00 O ATOM 0 H GLY A 4 -10.596 3.382 -4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.685 1.427 -4.203 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.248 2.439 -5.565 1.00 0.00 H new ATOM 37 N SER A 5 -6.888 3.797 -3.969 1.00 0.00 N ATOM 38 CA SER A 5 -6.151 4.740 -3.136 1.00 0.00 C ATOM 39 C SER A 5 -5.560 5.865 -3.981 1.00 0.00 C ATOM 40 O SER A 5 -5.474 5.758 -5.204 1.00 0.00 O ATOM 41 CB SER A 5 -5.036 4.019 -2.376 1.00 0.00 C ATOM 42 OG SER A 5 -5.565 3.222 -1.330 1.00 0.00 O ATOM 0 H SER A 5 -6.373 3.462 -4.784 1.00 0.00 H new ATOM 0 HA SER A 5 -6.848 5.174 -2.419 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.469 3.392 -3.064 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.340 4.750 -1.964 1.00 0.00 H new ATOM 0 HG SER A 5 -4.833 2.770 -0.861 1.00 0.00 H new ATOM 48 N SER A 6 -5.155 6.944 -3.318 1.00 0.00 N ATOM 49 CA SER A 6 -4.576 8.091 -4.007 1.00 0.00 C ATOM 50 C SER A 6 -3.072 8.167 -3.767 1.00 0.00 C ATOM 51 O SER A 6 -2.281 8.186 -4.709 1.00 0.00 O ATOM 52 CB SER A 6 -5.245 9.385 -3.538 1.00 0.00 C ATOM 53 OG SER A 6 -6.456 9.615 -4.236 1.00 0.00 O ATOM 0 H SER A 6 -5.217 7.047 -2.305 1.00 0.00 H new ATOM 0 HA SER A 6 -4.749 7.967 -5.076 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.444 9.328 -2.468 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.568 10.225 -3.692 1.00 0.00 H new ATOM 0 HG SER A 6 -6.865 10.447 -3.917 1.00 0.00 H new ATOM 59 N GLY A 7 -2.683 8.210 -2.496 1.00 0.00 N ATOM 60 CA GLY A 7 -1.275 8.283 -2.153 1.00 0.00 C ATOM 61 C GLY A 7 -1.048 8.421 -0.660 1.00 0.00 C ATOM 62 O GLY A 7 -1.474 9.401 -0.049 1.00 0.00 O ATOM 0 H GLY A 7 -3.318 8.196 -1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.770 7.387 -2.513 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.823 9.132 -2.666 1.00 0.00 H new ATOM 66 N SER A 8 -0.376 7.436 -0.072 1.00 0.00 N ATOM 67 CA SER A 8 -0.099 7.450 1.360 1.00 0.00 C ATOM 68 C SER A 8 1.304 6.922 1.646 1.00 0.00 C ATOM 69 O SER A 8 1.916 6.263 0.805 1.00 0.00 O ATOM 70 CB SER A 8 -1.134 6.610 2.110 1.00 0.00 C ATOM 71 OG SER A 8 -1.097 6.877 3.501 1.00 0.00 O ATOM 0 H SER A 8 -0.014 6.619 -0.564 1.00 0.00 H new ATOM 0 HA SER A 8 -0.159 8.482 1.707 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.130 6.823 1.722 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.944 5.551 1.935 1.00 0.00 H new ATOM 0 HG SER A 8 -1.769 6.329 3.957 1.00 0.00 H new ATOM 77 N THR A 9 1.809 7.217 2.840 1.00 0.00 N ATOM 78 CA THR A 9 3.139 6.775 3.238 1.00 0.00 C ATOM 79 C THR A 9 3.272 5.261 3.125 1.00 0.00 C ATOM 80 O THR A 9 4.306 4.750 2.697 1.00 0.00 O ATOM 81 CB THR A 9 3.464 7.201 4.682 1.00 0.00 C ATOM 82 OG1 THR A 9 4.819 6.866 4.999 1.00 0.00 O ATOM 83 CG2 THR A 9 2.525 6.525 5.670 1.00 0.00 C ATOM 0 H THR A 9 1.316 7.761 3.548 1.00 0.00 H new ATOM 0 HA THR A 9 3.846 7.251 2.559 1.00 0.00 H new ATOM 0 HB THR A 9 3.330 8.280 4.757 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.018 7.142 5.918 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.774 6.841 6.683 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.496 6.806 5.445 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.631 5.443 5.591 1.00 0.00 H new ATOM 91 N GLN A 10 2.218 4.549 3.510 1.00 0.00 N ATOM 92 CA GLN A 10 2.218 3.092 3.452 1.00 0.00 C ATOM 93 C GLN A 10 2.255 2.605 2.007 1.00 0.00 C ATOM 94 O GLN A 10 1.238 2.186 1.454 1.00 0.00 O ATOM 95 CB GLN A 10 0.982 2.532 4.159 1.00 0.00 C ATOM 96 CG GLN A 10 1.121 2.475 5.671 1.00 0.00 C ATOM 97 CD GLN A 10 0.158 1.492 6.309 1.00 0.00 C ATOM 98 OE1 GLN A 10 -0.980 1.343 5.864 1.00 0.00 O ATOM 99 NE2 GLN A 10 0.611 0.815 7.357 1.00 0.00 N ATOM 0 H GLN A 10 1.353 4.957 3.865 1.00 0.00 H new ATOM 0 HA GLN A 10 3.113 2.733 3.961 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.118 3.146 3.905 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.781 1.529 3.783 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.143 2.196 5.928 1.00 0.00 H new ATOM 0 HG3 GLN A 10 0.948 3.468 6.086 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.562 0.970 7.692 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.008 0.139 7.827 1.00 0.00 H new ATOM 108 N THR A 11 3.436 2.664 1.398 1.00 0.00 N ATOM 109 CA THR A 11 3.606 2.231 0.017 1.00 0.00 C ATOM 110 C THR A 11 3.771 0.718 -0.069 1.00 0.00 C ATOM 111 O THR A 11 3.197 0.070 -0.944 1.00 0.00 O ATOM 112 CB THR A 11 4.827 2.907 -0.637 1.00 0.00 C ATOM 113 OG1 THR A 11 4.666 4.330 -0.621 1.00 0.00 O ATOM 114 CG2 THR A 11 5.007 2.428 -2.070 1.00 0.00 C ATOM 0 H THR A 11 4.289 3.008 1.840 1.00 0.00 H new ATOM 0 HA THR A 11 2.705 2.526 -0.520 1.00 0.00 H new ATOM 0 HB THR A 11 5.715 2.636 -0.065 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.447 4.752 -1.037 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.875 2.919 -2.511 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.158 1.349 -2.077 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.117 2.673 -2.650 1.00 0.00 H new ATOM 122 N ASP A 12 4.557 0.161 0.845 1.00 0.00 N ATOM 123 CA ASP A 12 4.796 -1.278 0.874 1.00 0.00 C ATOM 124 C ASP A 12 4.014 -1.936 2.006 1.00 0.00 C ATOM 125 O ASP A 12 3.433 -3.008 1.833 1.00 0.00 O ATOM 126 CB ASP A 12 6.290 -1.565 1.035 1.00 0.00 C ATOM 127 CG ASP A 12 6.875 -0.912 2.271 1.00 0.00 C ATOM 128 OD1 ASP A 12 6.726 -1.483 3.371 1.00 0.00 O ATOM 129 OD2 ASP A 12 7.482 0.172 2.139 1.00 0.00 O ATOM 0 H ASP A 12 5.040 0.683 1.576 1.00 0.00 H new ATOM 0 HA ASP A 12 4.453 -1.698 -0.072 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.446 -2.642 1.088 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.822 -1.209 0.153 1.00 0.00 H new ATOM 134 N LYS A 13 4.003 -1.287 3.166 1.00 0.00 N ATOM 135 CA LYS A 13 3.292 -1.808 4.327 1.00 0.00 C ATOM 136 C LYS A 13 1.839 -2.118 3.982 1.00 0.00 C ATOM 137 O LYS A 13 1.297 -3.141 4.399 1.00 0.00 O ATOM 138 CB LYS A 13 3.350 -0.803 5.480 1.00 0.00 C ATOM 139 CG LYS A 13 4.612 -0.911 6.318 1.00 0.00 C ATOM 140 CD LYS A 13 4.821 0.328 7.173 1.00 0.00 C ATOM 141 CE LYS A 13 5.334 1.496 6.346 1.00 0.00 C ATOM 142 NZ LYS A 13 5.033 2.805 6.987 1.00 0.00 N ATOM 0 H LYS A 13 4.479 -0.399 3.327 1.00 0.00 H new ATOM 0 HA LYS A 13 3.779 -2.733 4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.278 0.206 5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.483 -0.951 6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.550 -1.790 6.959 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.473 -1.053 5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.881 0.604 7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.531 0.106 7.970 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.411 1.398 6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.882 1.465 5.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.399 3.575 6.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.004 2.910 7.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.485 2.846 7.923 1.00 0.00 H new ATOM 156 N ALA A 14 1.214 -1.229 3.217 1.00 0.00 N ATOM 157 CA ALA A 14 -0.174 -1.410 2.813 1.00 0.00 C ATOM 158 C ALA A 14 -0.334 -2.648 1.937 1.00 0.00 C ATOM 159 O ALA A 14 -1.029 -3.596 2.305 1.00 0.00 O ATOM 160 CB ALA A 14 -0.676 -0.175 2.081 1.00 0.00 C ATOM 0 H ALA A 14 1.648 -0.376 2.865 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.772 -1.554 3.713 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.714 -0.324 1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.607 0.691 2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.067 -0.005 1.193 1.00 0.00 H new ATOM 166 N LEU A 15 0.312 -2.633 0.776 1.00 0.00 N ATOM 167 CA LEU A 15 0.240 -3.755 -0.154 1.00 0.00 C ATOM 168 C LEU A 15 0.536 -5.071 0.558 1.00 0.00 C ATOM 169 O LEU A 15 -0.184 -6.056 0.389 1.00 0.00 O ATOM 170 CB LEU A 15 1.226 -3.552 -1.305 1.00 0.00 C ATOM 171 CG LEU A 15 0.738 -2.678 -2.461 1.00 0.00 C ATOM 172 CD1 LEU A 15 0.652 -1.222 -2.031 1.00 0.00 C ATOM 173 CD2 LEU A 15 1.654 -2.827 -3.667 1.00 0.00 C ATOM 0 H LEU A 15 0.891 -1.857 0.456 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.773 -3.799 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.138 -3.111 -0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.494 -4.530 -1.704 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.260 -3.011 -2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.303 -0.616 -2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.046 -1.129 -1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.637 -0.876 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.291 -2.198 -4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.665 -2.522 -3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.663 -3.868 -3.990 1.00 0.00 H new ATOM 185 N TYR A 16 1.598 -5.081 1.355 1.00 0.00 N ATOM 186 CA TYR A 16 1.990 -6.277 2.093 1.00 0.00 C ATOM 187 C TYR A 16 0.765 -7.008 2.633 1.00 0.00 C ATOM 188 O TYR A 16 0.538 -8.177 2.321 1.00 0.00 O ATOM 189 CB TYR A 16 2.926 -5.907 3.244 1.00 0.00 C ATOM 190 CG TYR A 16 3.788 -7.057 3.717 1.00 0.00 C ATOM 191 CD1 TYR A 16 4.532 -7.808 2.816 1.00 0.00 C ATOM 192 CD2 TYR A 16 3.856 -7.392 5.063 1.00 0.00 C ATOM 193 CE1 TYR A 16 5.320 -8.860 3.243 1.00 0.00 C ATOM 194 CE2 TYR A 16 4.642 -8.440 5.499 1.00 0.00 C ATOM 195 CZ TYR A 16 5.372 -9.172 4.585 1.00 0.00 C ATOM 196 OH TYR A 16 6.155 -10.218 5.015 1.00 0.00 O ATOM 0 H TYR A 16 2.204 -4.274 1.507 1.00 0.00 H new ATOM 0 HA TYR A 16 2.515 -6.942 1.407 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.571 -5.087 2.928 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.332 -5.541 4.081 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.494 -7.566 1.764 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.284 -6.823 5.781 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.892 -9.435 2.529 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.685 -8.686 6.550 1.00 0.00 H new ATOM 0 HH TYR A 16 6.080 -10.304 5.988 1.00 0.00 H new ATOM 206 N ASN A 17 -0.022 -6.311 3.446 1.00 0.00 N ATOM 207 CA ASN A 17 -1.225 -6.893 4.031 1.00 0.00 C ATOM 208 C ASN A 17 -2.084 -7.557 2.959 1.00 0.00 C ATOM 209 O ASN A 17 -2.585 -8.665 3.149 1.00 0.00 O ATOM 210 CB ASN A 17 -2.036 -5.818 4.757 1.00 0.00 C ATOM 211 CG ASN A 17 -3.449 -6.271 5.067 1.00 0.00 C ATOM 212 OD1 ASN A 17 -3.665 -7.384 5.545 1.00 0.00 O ATOM 213 ND2 ASN A 17 -4.420 -5.406 4.795 1.00 0.00 N ATOM 0 H ASN A 17 0.151 -5.342 3.715 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.919 -7.654 4.749 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.531 -5.551 5.685 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.072 -4.918 4.143 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.391 -5.654 4.982 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.194 -4.494 4.399 1.00 0.00 H new ATOM 220 N ARG A 18 -2.250 -6.871 1.833 1.00 0.00 N ATOM 221 CA ARG A 18 -3.049 -7.394 0.731 1.00 0.00 C ATOM 222 C ARG A 18 -2.441 -8.680 0.180 1.00 0.00 C ATOM 223 O ARG A 18 -3.147 -9.659 -0.064 1.00 0.00 O ATOM 224 CB ARG A 18 -3.163 -6.352 -0.384 1.00 0.00 C ATOM 225 CG ARG A 18 -4.296 -6.625 -1.359 1.00 0.00 C ATOM 226 CD ARG A 18 -4.116 -5.848 -2.654 1.00 0.00 C ATOM 227 NE ARG A 18 -4.662 -4.497 -2.563 1.00 0.00 N ATOM 228 CZ ARG A 18 -5.045 -3.787 -3.617 1.00 0.00 C ATOM 229 NH1 ARG A 18 -4.943 -4.296 -4.837 1.00 0.00 N ATOM 230 NH2 ARG A 18 -5.533 -2.564 -3.453 1.00 0.00 N ATOM 0 H ARG A 18 -1.842 -5.952 1.660 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.045 -7.618 1.113 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.309 -5.369 0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.223 -6.316 -0.934 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.341 -7.692 -1.577 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.246 -6.353 -0.899 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.055 -5.794 -2.900 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.605 -6.382 -3.468 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.754 -4.076 -1.639 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.569 -5.236 -4.968 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.238 -3.748 -5.645 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.614 -2.169 -2.516 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.827 -2.019 -4.264 1.00 0.00 H new ATOM 244 N LEU A 19 -1.127 -8.671 -0.014 1.00 0.00 N ATOM 245 CA LEU A 19 -0.422 -9.836 -0.537 1.00 0.00 C ATOM 246 C LEU A 19 -0.528 -11.014 0.427 1.00 0.00 C ATOM 247 O LEU A 19 -0.788 -12.145 0.016 1.00 0.00 O ATOM 248 CB LEU A 19 1.049 -9.498 -0.787 1.00 0.00 C ATOM 249 CG LEU A 19 1.367 -8.845 -2.132 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.734 -8.178 -2.092 1.00 0.00 C ATOM 251 CD2 LEU A 19 1.306 -9.873 -3.252 1.00 0.00 C ATOM 0 H LEU A 19 -0.528 -7.869 0.183 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.888 -10.119 -1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.388 -8.833 0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.631 -10.416 -0.704 1.00 0.00 H new ATOM 0 HG LEU A 19 0.617 -8.079 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.943 -7.719 -3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.743 -7.412 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.497 -8.925 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.535 -9.390 -4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.033 -10.662 -3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.306 -10.304 -3.296 1.00 0.00 H new ATOM 263 N VAL A 20 -0.325 -10.740 1.712 1.00 0.00 N ATOM 264 CA VAL A 20 -0.401 -11.776 2.736 1.00 0.00 C ATOM 265 C VAL A 20 -1.608 -11.565 3.643 1.00 0.00 C ATOM 266 O VAL A 20 -1.500 -11.029 4.746 1.00 0.00 O ATOM 267 CB VAL A 20 0.876 -11.809 3.596 1.00 0.00 C ATOM 268 CG1 VAL A 20 0.762 -12.870 4.680 1.00 0.00 C ATOM 269 CG2 VAL A 20 2.099 -12.054 2.726 1.00 0.00 C ATOM 0 H VAL A 20 -0.107 -9.810 2.069 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.504 -12.729 2.216 1.00 0.00 H new ATOM 0 HB VAL A 20 0.992 -10.839 4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.673 -12.879 5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.090 -12.645 5.321 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.621 -13.848 4.219 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.992 -12.074 3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.994 -13.009 2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.189 -11.254 1.991 1.00 0.00 H new ATOM 279 N PRO A 21 -2.786 -11.996 3.170 1.00 0.00 N ATOM 280 CA PRO A 21 -4.037 -11.866 3.924 1.00 0.00 C ATOM 281 C PRO A 21 -4.078 -12.784 5.141 1.00 0.00 C ATOM 282 O PRO A 21 -3.445 -13.840 5.157 1.00 0.00 O ATOM 283 CB PRO A 21 -5.107 -12.276 2.909 1.00 0.00 C ATOM 284 CG PRO A 21 -4.397 -13.166 1.948 1.00 0.00 C ATOM 285 CD PRO A 21 -2.989 -12.644 1.864 1.00 0.00 C ATOM 0 HA PRO A 21 -4.171 -10.860 4.322 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.934 -12.796 3.393 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.529 -11.406 2.405 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.410 -14.200 2.291 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.879 -13.148 0.970 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.272 -13.448 1.699 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.871 -11.938 1.042 1.00 0.00 H new ATOM 293 N LEU A 22 -4.827 -12.374 6.159 1.00 0.00 N ATOM 294 CA LEU A 22 -4.951 -13.160 7.382 1.00 0.00 C ATOM 295 C LEU A 22 -6.328 -13.812 7.473 1.00 0.00 C ATOM 296 O LEU A 22 -7.261 -13.240 8.037 1.00 0.00 O ATOM 297 CB LEU A 22 -4.711 -12.276 8.607 1.00 0.00 C ATOM 298 CG LEU A 22 -4.258 -12.998 9.877 1.00 0.00 C ATOM 299 CD1 LEU A 22 -3.020 -13.837 9.601 1.00 0.00 C ATOM 300 CD2 LEU A 22 -3.989 -11.997 10.991 1.00 0.00 C ATOM 0 H LEU A 22 -5.357 -11.503 6.162 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.197 -13.947 7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.960 -11.529 8.350 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.633 -11.738 8.828 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.058 -13.664 10.199 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.712 -14.343 10.516 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.246 -14.578 8.835 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.213 -13.192 9.254 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.668 -12.528 11.887 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.206 -11.306 10.678 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.900 -11.439 11.207 1.00 0.00 H new ATOM 312 N VAL A 23 -6.447 -15.013 6.916 1.00 0.00 N ATOM 313 CA VAL A 23 -7.708 -15.744 6.937 1.00 0.00 C ATOM 314 C VAL A 23 -7.628 -16.952 7.863 1.00 0.00 C ATOM 315 O VAL A 23 -8.625 -17.359 8.457 1.00 0.00 O ATOM 316 CB VAL A 23 -8.105 -16.218 5.526 1.00 0.00 C ATOM 317 CG1 VAL A 23 -8.411 -15.028 4.629 1.00 0.00 C ATOM 318 CG2 VAL A 23 -7.006 -17.081 4.925 1.00 0.00 C ATOM 0 H VAL A 23 -5.685 -15.500 6.445 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.467 -15.055 7.308 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.008 -16.824 5.606 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.689 -15.383 3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.235 -14.454 5.054 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.528 -14.393 4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.303 -17.407 3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.085 -16.502 4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.841 -17.953 5.558 1.00 0.00 H new ATOM 328 N ASN A 24 -6.432 -17.521 7.982 1.00 0.00 N ATOM 329 CA ASN A 24 -6.221 -18.684 8.837 1.00 0.00 C ATOM 330 C ASN A 24 -5.496 -18.291 10.121 1.00 0.00 C ATOM 331 O ASN A 24 -4.648 -19.030 10.618 1.00 0.00 O ATOM 332 CB ASN A 24 -5.418 -19.752 8.091 1.00 0.00 C ATOM 333 CG ASN A 24 -5.881 -19.926 6.658 1.00 0.00 C ATOM 334 OD1 ASN A 24 -7.071 -20.100 6.394 1.00 0.00 O ATOM 335 ND2 ASN A 24 -4.938 -19.881 5.723 1.00 0.00 N ATOM 0 H ASN A 24 -5.595 -17.196 7.498 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.197 -19.091 9.102 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.362 -19.481 8.099 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.506 -20.703 8.617 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.188 -19.993 4.741 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.964 -19.735 5.988 1.00 0.00 H new ATOM 342 N GLY A 25 -5.837 -17.120 10.652 1.00 0.00 N ATOM 343 CA GLY A 25 -5.210 -16.649 11.873 1.00 0.00 C ATOM 344 C GLY A 25 -3.698 -16.726 11.815 1.00 0.00 C ATOM 345 O GLY A 25 -3.043 -16.987 12.824 1.00 0.00 O ATOM 0 H GLY A 25 -6.536 -16.490 10.258 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.511 -15.618 12.058 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.569 -17.242 12.714 1.00 0.00 H new ATOM 349 N VAL A 26 -3.140 -16.500 10.630 1.00 0.00 N ATOM 350 CA VAL A 26 -1.695 -16.546 10.444 1.00 0.00 C ATOM 351 C VAL A 26 -1.292 -15.924 9.111 1.00 0.00 C ATOM 352 O VAL A 26 -1.912 -16.186 8.080 1.00 0.00 O ATOM 353 CB VAL A 26 -1.166 -17.991 10.503 1.00 0.00 C ATOM 354 CG1 VAL A 26 -1.812 -18.841 9.420 1.00 0.00 C ATOM 355 CG2 VAL A 26 0.349 -18.010 10.375 1.00 0.00 C ATOM 0 H VAL A 26 -3.667 -16.283 9.784 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.254 -15.972 11.259 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.430 -18.417 11.471 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.426 -19.859 9.477 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.892 -18.854 9.564 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.581 -18.420 8.441 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.705 -19.039 10.419 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.639 -17.566 9.423 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.790 -17.438 11.191 1.00 0.00 H new ATOM 365 N ARG A 27 -0.251 -15.099 9.140 1.00 0.00 N ATOM 366 CA ARG A 27 0.234 -14.439 7.934 1.00 0.00 C ATOM 367 C ARG A 27 1.226 -15.328 7.189 1.00 0.00 C ATOM 368 O ARG A 27 2.212 -14.844 6.634 1.00 0.00 O ATOM 369 CB ARG A 27 0.895 -13.105 8.288 1.00 0.00 C ATOM 370 CG ARG A 27 -0.094 -11.965 8.471 1.00 0.00 C ATOM 371 CD ARG A 27 0.612 -10.620 8.537 1.00 0.00 C ATOM 372 NE ARG A 27 0.977 -10.260 9.905 1.00 0.00 N ATOM 373 CZ ARG A 27 1.431 -9.061 10.253 1.00 0.00 C ATOM 374 NH1 ARG A 27 1.576 -8.112 9.338 1.00 0.00 N ATOM 375 NH2 ARG A 27 1.742 -8.810 11.518 1.00 0.00 N ATOM 0 H ARG A 27 0.273 -14.872 9.985 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.620 -14.253 7.283 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.470 -13.226 9.206 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.601 -12.839 7.502 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.806 -11.963 7.645 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.667 -12.122 9.385 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.509 -10.651 7.919 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.036 -9.849 8.120 1.00 0.00 H new ATOM 0 HE ARG A 27 0.878 -10.968 10.633 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.339 -8.302 8.364 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.925 -7.192 9.608 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.633 -9.538 12.224 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.091 -7.889 11.784 1.00 0.00 H new ATOM 389 N GLU A 28 0.956 -16.629 7.182 1.00 0.00 N ATOM 390 CA GLU A 28 1.826 -17.585 6.506 1.00 0.00 C ATOM 391 C GLU A 28 1.802 -17.369 4.996 1.00 0.00 C ATOM 392 O GLU A 28 0.735 -17.285 4.386 1.00 0.00 O ATOM 393 CB GLU A 28 1.399 -19.017 6.835 1.00 0.00 C ATOM 394 CG GLU A 28 2.549 -20.011 6.832 1.00 0.00 C ATOM 395 CD GLU A 28 2.099 -21.425 7.145 1.00 0.00 C ATOM 396 OE1 GLU A 28 1.327 -21.601 8.110 1.00 0.00 O ATOM 397 OE2 GLU A 28 2.520 -22.354 6.425 1.00 0.00 O ATOM 0 H GLU A 28 0.143 -17.045 7.636 1.00 0.00 H new ATOM 0 HA GLU A 28 2.844 -17.426 6.862 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.922 -19.029 7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.650 -19.339 6.112 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.035 -19.996 5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.295 -19.701 7.564 1.00 0.00 H new ATOM 404 N PHE A 29 2.985 -17.280 4.398 1.00 0.00 N ATOM 405 CA PHE A 29 3.101 -17.072 2.959 1.00 0.00 C ATOM 406 C PHE A 29 2.455 -18.221 2.190 1.00 0.00 C ATOM 407 O PHE A 29 2.026 -19.213 2.779 1.00 0.00 O ATOM 408 CB PHE A 29 4.571 -16.938 2.558 1.00 0.00 C ATOM 409 CG PHE A 29 5.210 -15.667 3.039 1.00 0.00 C ATOM 410 CD1 PHE A 29 4.930 -14.458 2.422 1.00 0.00 C ATOM 411 CD2 PHE A 29 6.092 -15.680 4.109 1.00 0.00 C ATOM 412 CE1 PHE A 29 5.516 -13.286 2.863 1.00 0.00 C ATOM 413 CE2 PHE A 29 6.680 -14.511 4.554 1.00 0.00 C ATOM 414 CZ PHE A 29 6.393 -13.313 3.929 1.00 0.00 C ATOM 0 H PHE A 29 3.877 -17.349 4.887 1.00 0.00 H new ATOM 0 HA PHE A 29 2.578 -16.150 2.707 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.127 -17.787 2.955 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.649 -16.986 1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.246 -14.431 1.587 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.322 -16.614 4.600 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.288 -12.350 2.374 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.363 -14.534 5.390 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.854 -12.399 4.274 1.00 0.00 H new ATOM 424 N SER A 30 2.390 -18.079 0.870 1.00 0.00 N ATOM 425 CA SER A 30 1.793 -19.102 0.020 1.00 0.00 C ATOM 426 C SER A 30 2.820 -19.662 -0.960 1.00 0.00 C ATOM 427 O SER A 30 3.807 -19.002 -1.284 1.00 0.00 O ATOM 428 CB SER A 30 0.601 -18.525 -0.748 1.00 0.00 C ATOM 429 OG SER A 30 -0.355 -19.531 -1.036 1.00 0.00 O ATOM 0 H SER A 30 2.743 -17.266 0.366 1.00 0.00 H new ATOM 0 HA SER A 30 1.446 -19.914 0.660 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.135 -17.733 -0.161 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.948 -18.072 -1.677 1.00 0.00 H new ATOM 0 HG SER A 30 -1.107 -19.137 -1.525 1.00 0.00 H new ATOM 435 N GLU A 31 2.580 -20.883 -1.426 1.00 0.00 N ATOM 436 CA GLU A 31 3.485 -21.532 -2.367 1.00 0.00 C ATOM 437 C GLU A 31 3.900 -20.569 -3.475 1.00 0.00 C ATOM 438 O GLU A 31 5.041 -20.593 -3.938 1.00 0.00 O ATOM 439 CB GLU A 31 2.822 -22.770 -2.974 1.00 0.00 C ATOM 440 CG GLU A 31 1.447 -22.498 -3.562 1.00 0.00 C ATOM 441 CD GLU A 31 0.979 -23.605 -4.487 1.00 0.00 C ATOM 442 OE1 GLU A 31 1.360 -23.585 -5.676 1.00 0.00 O ATOM 443 OE2 GLU A 31 0.231 -24.490 -4.022 1.00 0.00 O ATOM 0 H GLU A 31 1.767 -21.442 -1.168 1.00 0.00 H new ATOM 0 HA GLU A 31 4.378 -21.837 -1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.468 -23.172 -3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.734 -23.538 -2.206 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.727 -22.377 -2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.470 -21.557 -4.111 1.00 0.00 H new ATOM 450 N ILE A 32 2.966 -19.723 -3.896 1.00 0.00 N ATOM 451 CA ILE A 32 3.234 -18.751 -4.949 1.00 0.00 C ATOM 452 C ILE A 32 4.152 -17.640 -4.451 1.00 0.00 C ATOM 453 O ILE A 32 5.172 -17.340 -5.071 1.00 0.00 O ATOM 454 CB ILE A 32 1.932 -18.125 -5.483 1.00 0.00 C ATOM 455 CG1 ILE A 32 1.010 -19.212 -6.040 1.00 0.00 C ATOM 456 CG2 ILE A 32 2.243 -17.087 -6.551 1.00 0.00 C ATOM 457 CD1 ILE A 32 -0.445 -18.801 -6.091 1.00 0.00 C ATOM 0 H ILE A 32 2.017 -19.691 -3.524 1.00 0.00 H new ATOM 0 HA ILE A 32 3.726 -19.291 -5.758 1.00 0.00 H new ATOM 0 HB ILE A 32 1.420 -17.627 -4.659 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.340 -19.477 -7.044 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.105 -20.108 -5.426 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.313 -16.653 -6.919 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.866 -16.301 -6.124 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.773 -17.562 -7.376 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.040 -19.619 -6.496 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.791 -18.563 -5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.553 -17.924 -6.729 1.00 0.00 H new ATOM 469 N GLN A 33 3.783 -17.035 -3.326 1.00 0.00 N ATOM 470 CA GLN A 33 4.575 -15.958 -2.744 1.00 0.00 C ATOM 471 C GLN A 33 6.008 -16.412 -2.490 1.00 0.00 C ATOM 472 O GLN A 33 6.954 -15.641 -2.659 1.00 0.00 O ATOM 473 CB GLN A 33 3.940 -15.478 -1.438 1.00 0.00 C ATOM 474 CG GLN A 33 2.558 -14.872 -1.620 1.00 0.00 C ATOM 475 CD GLN A 33 1.769 -14.817 -0.327 1.00 0.00 C ATOM 476 OE1 GLN A 33 2.309 -15.058 0.753 1.00 0.00 O ATOM 477 NE2 GLN A 33 0.484 -14.498 -0.429 1.00 0.00 N ATOM 0 H GLN A 33 2.942 -17.272 -2.800 1.00 0.00 H new ATOM 0 HA GLN A 33 4.596 -15.132 -3.455 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.871 -16.318 -0.747 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.594 -14.738 -0.976 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.658 -13.864 -2.023 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.004 -15.456 -2.355 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.077 -14.306 -1.344 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.096 -14.445 0.408 1.00 0.00 H new ATOM 486 N LEU A 34 6.163 -17.666 -2.081 1.00 0.00 N ATOM 487 CA LEU A 34 7.482 -18.224 -1.803 1.00 0.00 C ATOM 488 C LEU A 34 8.250 -18.476 -3.096 1.00 0.00 C ATOM 489 O LEU A 34 9.320 -17.907 -3.315 1.00 0.00 O ATOM 490 CB LEU A 34 7.350 -19.526 -1.012 1.00 0.00 C ATOM 491 CG LEU A 34 6.417 -19.485 0.199 1.00 0.00 C ATOM 492 CD1 LEU A 34 5.789 -20.849 0.436 1.00 0.00 C ATOM 493 CD2 LEU A 34 7.170 -19.020 1.437 1.00 0.00 C ATOM 0 H LEU A 34 5.391 -18.316 -1.934 1.00 0.00 H new ATOM 0 HA LEU A 34 8.038 -17.500 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.999 -20.305 -1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.342 -19.823 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 34 5.619 -18.771 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.128 -20.800 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.215 -21.143 -0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.573 -21.584 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.490 -18.997 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.989 -19.709 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.571 -18.021 1.265 1.00 0.00 H new ATOM 505 N SER A 35 7.697 -19.332 -3.950 1.00 0.00 N ATOM 506 CA SER A 35 8.331 -19.661 -5.221 1.00 0.00 C ATOM 507 C SER A 35 8.852 -18.403 -5.910 1.00 0.00 C ATOM 508 O SER A 35 9.913 -18.419 -6.534 1.00 0.00 O ATOM 509 CB SER A 35 7.342 -20.386 -6.136 1.00 0.00 C ATOM 510 OG SER A 35 8.020 -21.204 -7.073 1.00 0.00 O ATOM 0 H SER A 35 6.811 -19.810 -3.784 1.00 0.00 H new ATOM 0 HA SER A 35 9.176 -20.319 -5.018 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.667 -20.997 -5.536 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.727 -19.656 -6.663 1.00 0.00 H new ATOM 0 HG SER A 35 7.366 -21.658 -7.645 1.00 0.00 H new ATOM 516 N ARG A 36 8.097 -17.316 -5.792 1.00 0.00 N ATOM 517 CA ARG A 36 8.481 -16.050 -6.404 1.00 0.00 C ATOM 518 C ARG A 36 9.549 -15.346 -5.573 1.00 0.00 C ATOM 519 O ARG A 36 10.381 -14.610 -6.106 1.00 0.00 O ATOM 520 CB ARG A 36 7.259 -15.142 -6.557 1.00 0.00 C ATOM 521 CG ARG A 36 6.817 -14.491 -5.257 1.00 0.00 C ATOM 522 CD ARG A 36 5.970 -13.254 -5.513 1.00 0.00 C ATOM 523 NE ARG A 36 4.615 -13.596 -5.935 1.00 0.00 N ATOM 524 CZ ARG A 36 3.573 -12.785 -5.790 1.00 0.00 C ATOM 525 NH1 ARG A 36 3.730 -11.591 -5.236 1.00 0.00 N ATOM 526 NH2 ARG A 36 2.370 -13.168 -6.199 1.00 0.00 N ATOM 0 H ARG A 36 7.216 -17.287 -5.278 1.00 0.00 H new ATOM 0 HA ARG A 36 8.894 -16.263 -7.390 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.485 -14.363 -7.285 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.432 -15.726 -6.961 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.247 -15.207 -4.665 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.693 -14.218 -4.669 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.926 -12.651 -4.606 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.445 -12.642 -6.280 1.00 0.00 H new ATOM 0 HE ARG A 36 4.460 -14.508 -6.365 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.653 -11.293 -4.920 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.928 -10.970 -5.126 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.245 -14.086 -6.625 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.571 -12.544 -6.087 1.00 0.00 H new ATOM 540 N LEU A 37 9.521 -15.575 -4.265 1.00 0.00 N ATOM 541 CA LEU A 37 10.486 -14.963 -3.359 1.00 0.00 C ATOM 542 C LEU A 37 11.891 -15.499 -3.617 1.00 0.00 C ATOM 543 O LEU A 37 12.856 -14.738 -3.685 1.00 0.00 O ATOM 544 CB LEU A 37 10.088 -15.223 -1.905 1.00 0.00 C ATOM 545 CG LEU A 37 9.175 -14.178 -1.262 1.00 0.00 C ATOM 546 CD1 LEU A 37 8.461 -14.764 -0.054 1.00 0.00 C ATOM 547 CD2 LEU A 37 9.973 -12.944 -0.867 1.00 0.00 C ATOM 0 H LEU A 37 8.840 -16.181 -3.808 1.00 0.00 H new ATOM 0 HA LEU A 37 10.487 -13.888 -3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.591 -16.192 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.997 -15.299 -1.308 1.00 0.00 H new ATOM 0 HG LEU A 37 8.423 -13.881 -1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.816 -14.006 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.858 -15.616 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.197 -15.090 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.308 -12.211 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.747 -13.225 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.437 -12.511 -1.754 1.00 0.00 H new ATOM 559 N LYS A 38 11.998 -16.816 -3.762 1.00 0.00 N ATOM 560 CA LYS A 38 13.284 -17.456 -4.016 1.00 0.00 C ATOM 561 C LYS A 38 14.076 -16.686 -5.068 1.00 0.00 C ATOM 562 O LYS A 38 15.231 -16.322 -4.846 1.00 0.00 O ATOM 563 CB LYS A 38 13.075 -18.901 -4.475 1.00 0.00 C ATOM 564 CG LYS A 38 12.940 -19.889 -3.331 1.00 0.00 C ATOM 565 CD LYS A 38 12.751 -21.309 -3.839 1.00 0.00 C ATOM 566 CE LYS A 38 14.086 -22.001 -4.067 1.00 0.00 C ATOM 567 NZ LYS A 38 14.615 -22.611 -2.815 1.00 0.00 N ATOM 0 H LYS A 38 11.210 -17.461 -3.708 1.00 0.00 H new ATOM 0 HA LYS A 38 13.853 -17.455 -3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.179 -18.951 -5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.914 -19.199 -5.104 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.829 -19.842 -2.702 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.092 -19.609 -2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.163 -21.879 -3.120 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.185 -21.291 -4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.969 -22.774 -4.827 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.807 -21.281 -4.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.526 -23.073 -3.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.750 -21.870 -2.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.939 -23.317 -2.460 1.00 0.00 H new ATOM 581 N LYS A 39 13.448 -16.439 -6.212 1.00 0.00 N ATOM 582 CA LYS A 39 14.092 -15.710 -7.298 1.00 0.00 C ATOM 583 C LYS A 39 14.876 -14.516 -6.761 1.00 0.00 C ATOM 584 O LYS A 39 16.050 -14.335 -7.085 1.00 0.00 O ATOM 585 CB LYS A 39 13.048 -15.235 -8.311 1.00 0.00 C ATOM 586 CG LYS A 39 12.794 -16.227 -9.432 1.00 0.00 C ATOM 587 CD LYS A 39 11.711 -17.226 -9.058 1.00 0.00 C ATOM 588 CE LYS A 39 12.298 -18.459 -8.388 1.00 0.00 C ATOM 589 NZ LYS A 39 13.050 -19.309 -9.351 1.00 0.00 N ATOM 0 H LYS A 39 12.492 -16.733 -6.411 1.00 0.00 H new ATOM 0 HA LYS A 39 14.788 -16.386 -7.794 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.111 -15.040 -7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.376 -14.289 -8.742 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.500 -15.691 -10.334 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.717 -16.759 -9.664 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.994 -16.753 -8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.163 -17.523 -9.953 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.962 -18.152 -7.580 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.496 -19.044 -7.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.156 -20.267 -8.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.530 -19.358 -10.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.990 -18.897 -9.517 1.00 0.00 H new ATOM 603 N LEU A 40 14.220 -13.705 -5.939 1.00 0.00 N ATOM 604 CA LEU A 40 14.856 -12.529 -5.356 1.00 0.00 C ATOM 605 C LEU A 40 16.013 -12.930 -4.447 1.00 0.00 C ATOM 606 O LEU A 40 17.002 -12.208 -4.329 1.00 0.00 O ATOM 607 CB LEU A 40 13.832 -11.710 -4.567 1.00 0.00 C ATOM 608 CG LEU A 40 12.570 -11.301 -5.327 1.00 0.00 C ATOM 609 CD1 LEU A 40 11.401 -11.135 -4.369 1.00 0.00 C ATOM 610 CD2 LEU A 40 12.809 -10.017 -6.108 1.00 0.00 C ATOM 0 H LEU A 40 13.248 -13.840 -5.661 1.00 0.00 H new ATOM 0 HA LEU A 40 15.251 -11.919 -6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.534 -12.286 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.322 -10.807 -4.203 1.00 0.00 H new ATOM 0 HG LEU A 40 12.323 -12.092 -6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.511 -10.844 -4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.215 -12.078 -3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.638 -10.364 -3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.900 -9.742 -6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.081 -9.217 -5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 40 13.617 -10.171 -6.823 1.00 0.00 H new ATOM 622 N GLY A 41 15.882 -14.088 -3.807 1.00 0.00 N ATOM 623 CA GLY A 41 16.925 -14.566 -2.918 1.00 0.00 C ATOM 624 C GLY A 41 16.601 -14.319 -1.458 1.00 0.00 C ATOM 625 O GLY A 41 17.502 -14.198 -0.627 1.00 0.00 O ATOM 0 H GLY A 41 15.073 -14.703 -3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.073 -15.634 -3.078 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.865 -14.073 -3.167 1.00 0.00 H new ATOM 629 N ILE A 42 15.312 -14.241 -1.145 1.00 0.00 N ATOM 630 CA ILE A 42 14.872 -14.006 0.225 1.00 0.00 C ATOM 631 C ILE A 42 14.472 -15.311 0.906 1.00 0.00 C ATOM 632 O ILE A 42 13.299 -15.685 0.913 1.00 0.00 O ATOM 633 CB ILE A 42 13.684 -13.028 0.275 1.00 0.00 C ATOM 634 CG1 ILE A 42 14.114 -11.642 -0.210 1.00 0.00 C ATOM 635 CG2 ILE A 42 13.121 -12.950 1.686 1.00 0.00 C ATOM 636 CD1 ILE A 42 12.975 -10.814 -0.763 1.00 0.00 C ATOM 0 H ILE A 42 14.554 -14.337 -1.821 1.00 0.00 H new ATOM 0 HA ILE A 42 15.716 -13.566 0.756 1.00 0.00 H new ATOM 0 HB ILE A 42 12.901 -13.397 -0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 42 14.575 -11.103 0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 42 14.877 -11.756 -0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 42 12.282 -12.255 1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 42 12.781 -13.938 1.997 1.00 0.00 H new ATOM 0 HG23 ILE A 42 13.896 -12.602 2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.354 -9.845 -1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 42 12.528 -11.331 -1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 42 12.222 -10.668 0.011 1.00 0.00 H new ATOM 648 N HIS A 43 15.454 -15.999 1.479 1.00 0.00 N ATOM 649 CA HIS A 43 15.204 -17.261 2.165 1.00 0.00 C ATOM 650 C HIS A 43 14.452 -17.030 3.472 1.00 0.00 C ATOM 651 O HIS A 43 15.000 -17.219 4.558 1.00 0.00 O ATOM 652 CB HIS A 43 16.522 -17.985 2.443 1.00 0.00 C ATOM 653 CG HIS A 43 17.039 -18.759 1.269 1.00 0.00 C ATOM 654 ND1 HIS A 43 16.216 -19.422 0.383 1.00 0.00 N ATOM 655 CD2 HIS A 43 18.304 -18.972 0.838 1.00 0.00 C ATOM 656 CE1 HIS A 43 16.953 -20.011 -0.541 1.00 0.00 C ATOM 657 NE2 HIS A 43 18.224 -19.753 -0.289 1.00 0.00 N ATOM 0 H HIS A 43 16.430 -15.704 1.482 1.00 0.00 H new ATOM 0 HA HIS A 43 14.587 -17.882 1.516 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.272 -17.254 2.745 1.00 0.00 H new ATOM 0 HB3 HIS A 43 16.383 -18.665 3.284 1.00 0.00 H new ATOM 0 HD2 HIS A 43 19.208 -18.598 1.295 1.00 0.00 H new ATOM 0 HE1 HIS A 43 16.580 -20.603 -1.363 1.00 0.00 H new ATOM 0 HE2 HIS A 43 19.017 -20.080 -0.841 1.00 0.00 H new ATOM 666 N LYS A 44 13.194 -16.617 3.360 1.00 0.00 N ATOM 667 CA LYS A 44 12.365 -16.360 4.531 1.00 0.00 C ATOM 668 C LYS A 44 10.910 -16.731 4.261 1.00 0.00 C ATOM 669 O LYS A 44 10.330 -16.322 3.255 1.00 0.00 O ATOM 670 CB LYS A 44 12.460 -14.887 4.935 1.00 0.00 C ATOM 671 CG LYS A 44 13.580 -14.597 5.919 1.00 0.00 C ATOM 672 CD LYS A 44 14.043 -13.152 5.828 1.00 0.00 C ATOM 673 CE LYS A 44 15.010 -12.805 6.949 1.00 0.00 C ATOM 674 NZ LYS A 44 16.404 -13.217 6.626 1.00 0.00 N ATOM 0 H LYS A 44 12.726 -16.453 2.469 1.00 0.00 H new ATOM 0 HA LYS A 44 12.733 -16.980 5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.608 -14.282 4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.512 -14.578 5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.238 -14.807 6.933 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.420 -15.262 5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.525 -12.983 4.865 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.179 -12.489 5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.982 -11.731 7.133 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.690 -13.295 7.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.033 -12.963 7.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.436 -14.245 6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.719 -12.730 5.762 1.00 0.00 H new ATOM 688 N THR A 45 10.324 -17.507 5.168 1.00 0.00 N ATOM 689 CA THR A 45 8.937 -17.933 5.027 1.00 0.00 C ATOM 690 C THR A 45 8.086 -17.424 6.185 1.00 0.00 C ATOM 691 O THR A 45 6.994 -17.933 6.435 1.00 0.00 O ATOM 692 CB THR A 45 8.825 -19.468 4.959 1.00 0.00 C ATOM 693 OG1 THR A 45 9.328 -20.050 6.166 1.00 0.00 O ATOM 694 CG2 THR A 45 9.597 -20.014 3.767 1.00 0.00 C ATOM 0 H THR A 45 10.788 -17.853 6.008 1.00 0.00 H new ATOM 0 HA THR A 45 8.569 -17.507 4.094 1.00 0.00 H new ATOM 0 HB THR A 45 7.773 -19.729 4.842 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.252 -21.026 6.115 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.504 -21.100 3.739 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.193 -19.591 2.847 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.649 -19.743 3.859 1.00 0.00 H new ATOM 702 N ASP A 46 8.593 -16.416 6.887 1.00 0.00 N ATOM 703 CA ASP A 46 7.878 -15.837 8.018 1.00 0.00 C ATOM 704 C ASP A 46 7.503 -14.385 7.737 1.00 0.00 C ATOM 705 O ASP A 46 8.316 -13.588 7.267 1.00 0.00 O ATOM 706 CB ASP A 46 8.729 -15.921 9.285 1.00 0.00 C ATOM 707 CG ASP A 46 9.661 -17.117 9.278 1.00 0.00 C ATOM 708 OD1 ASP A 46 10.708 -17.050 8.600 1.00 0.00 O ATOM 709 OD2 ASP A 46 9.344 -18.120 9.951 1.00 0.00 O ATOM 0 H ASP A 46 9.496 -15.983 6.693 1.00 0.00 H new ATOM 0 HA ASP A 46 6.962 -16.408 8.168 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.315 -15.008 9.387 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.075 -15.979 10.155 1.00 0.00 H new ATOM 714 N PRO A 47 6.243 -14.031 8.031 1.00 0.00 N ATOM 715 CA PRO A 47 5.732 -12.673 7.819 1.00 0.00 C ATOM 716 C PRO A 47 6.345 -11.665 8.785 1.00 0.00 C ATOM 717 O PRO A 47 6.044 -10.473 8.726 1.00 0.00 O ATOM 718 CB PRO A 47 4.230 -12.815 8.076 1.00 0.00 C ATOM 719 CG PRO A 47 4.111 -13.991 8.983 1.00 0.00 C ATOM 720 CD PRO A 47 5.221 -14.928 8.595 1.00 0.00 C ATOM 0 HA PRO A 47 5.975 -12.297 6.825 1.00 0.00 H new ATOM 0 HB2 PRO A 47 3.820 -11.916 8.537 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.683 -12.974 7.147 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.202 -13.690 10.027 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.139 -14.471 8.873 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.601 -15.479 9.455 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.887 -15.666 7.866 1.00 0.00 H new ATOM 728 N SER A 48 7.206 -12.151 9.672 1.00 0.00 N ATOM 729 CA SER A 48 7.859 -11.292 10.654 1.00 0.00 C ATOM 730 C SER A 48 9.344 -11.139 10.339 1.00 0.00 C ATOM 731 O SER A 48 9.920 -10.064 10.513 1.00 0.00 O ATOM 732 CB SER A 48 7.682 -11.864 12.062 1.00 0.00 C ATOM 733 OG SER A 48 6.309 -11.977 12.397 1.00 0.00 O ATOM 0 H SER A 48 7.468 -13.135 9.732 1.00 0.00 H new ATOM 0 HA SER A 48 7.391 -10.309 10.608 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.156 -12.844 12.122 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.184 -11.221 12.785 1.00 0.00 H new ATOM 0 HG SER A 48 6.222 -12.346 13.301 1.00 0.00 H new ATOM 739 N THR A 49 9.959 -12.221 9.873 1.00 0.00 N ATOM 740 CA THR A 49 11.377 -12.209 9.534 1.00 0.00 C ATOM 741 C THR A 49 11.676 -11.171 8.459 1.00 0.00 C ATOM 742 O THR A 49 12.553 -10.323 8.627 1.00 0.00 O ATOM 743 CB THR A 49 11.849 -13.591 9.044 1.00 0.00 C ATOM 744 OG1 THR A 49 10.927 -14.110 8.080 1.00 0.00 O ATOM 745 CG2 THR A 49 11.976 -14.563 10.207 1.00 0.00 C ATOM 0 H THR A 49 9.497 -13.118 9.721 1.00 0.00 H new ATOM 0 HA THR A 49 11.918 -11.951 10.444 1.00 0.00 H new ATOM 0 HB THR A 49 12.829 -13.473 8.582 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.932 -15.089 8.116 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.311 -15.532 9.836 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.701 -14.179 10.925 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.008 -14.676 10.694 1.00 0.00 H new ATOM 753 N LEU A 50 10.942 -11.243 7.354 1.00 0.00 N ATOM 754 CA LEU A 50 11.128 -10.308 6.249 1.00 0.00 C ATOM 755 C LEU A 50 11.265 -8.879 6.763 1.00 0.00 C ATOM 756 O LEU A 50 10.519 -8.449 7.644 1.00 0.00 O ATOM 757 CB LEU A 50 9.955 -10.401 5.273 1.00 0.00 C ATOM 758 CG LEU A 50 10.086 -11.445 4.163 1.00 0.00 C ATOM 759 CD1 LEU A 50 9.749 -12.831 4.691 1.00 0.00 C ATOM 760 CD2 LEU A 50 9.189 -11.088 2.986 1.00 0.00 C ATOM 0 H LEU A 50 10.213 -11.939 7.199 1.00 0.00 H new ATOM 0 HA LEU A 50 12.047 -10.577 5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.051 -10.617 5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.815 -9.424 4.811 1.00 0.00 H new ATOM 0 HG LEU A 50 11.120 -11.452 3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.848 -13.561 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.432 -13.088 5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.725 -12.839 5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.295 -11.842 2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.151 -11.052 3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.477 -10.114 2.591 1.00 0.00 H new ATOM 772 N THR A 51 12.222 -8.144 6.206 1.00 0.00 N ATOM 773 CA THR A 51 12.456 -6.762 6.606 1.00 0.00 C ATOM 774 C THR A 51 11.920 -5.789 5.563 1.00 0.00 C ATOM 775 O THR A 51 11.799 -6.130 4.387 1.00 0.00 O ATOM 776 CB THR A 51 13.956 -6.487 6.825 1.00 0.00 C ATOM 777 OG1 THR A 51 14.147 -5.141 7.274 1.00 0.00 O ATOM 778 CG2 THR A 51 14.741 -6.715 5.542 1.00 0.00 C ATOM 0 H THR A 51 12.848 -8.483 5.476 1.00 0.00 H new ATOM 0 HA THR A 51 11.925 -6.611 7.546 1.00 0.00 H new ATOM 0 HB THR A 51 14.322 -7.178 7.584 1.00 0.00 H new ATOM 0 HG1 THR A 51 15.103 -4.975 7.412 1.00 0.00 H new ATOM 0 HG21 THR A 51 15.797 -6.515 5.721 1.00 0.00 H new ATOM 0 HG22 THR A 51 14.617 -7.749 5.219 1.00 0.00 H new ATOM 0 HG23 THR A 51 14.371 -6.045 4.765 1.00 0.00 H new ATOM 786 N GLU A 52 11.600 -4.575 6.001 1.00 0.00 N ATOM 787 CA GLU A 52 11.076 -3.553 5.104 1.00 0.00 C ATOM 788 C GLU A 52 11.738 -3.642 3.732 1.00 0.00 C ATOM 789 O GLU A 52 11.063 -3.622 2.703 1.00 0.00 O ATOM 790 CB GLU A 52 11.295 -2.160 5.698 1.00 0.00 C ATOM 791 CG GLU A 52 12.756 -1.831 5.956 1.00 0.00 C ATOM 792 CD GLU A 52 12.952 -0.430 6.501 1.00 0.00 C ATOM 793 OE1 GLU A 52 12.631 0.538 5.781 1.00 0.00 O ATOM 794 OE2 GLU A 52 13.425 -0.302 7.650 1.00 0.00 O ATOM 0 H GLU A 52 11.695 -4.276 6.972 1.00 0.00 H new ATOM 0 HA GLU A 52 10.006 -3.725 4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 52 10.878 -1.415 5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.743 -2.083 6.635 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.167 -2.552 6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.318 -1.937 5.028 1.00 0.00 H new ATOM 801 N GLU A 53 13.064 -3.741 3.726 1.00 0.00 N ATOM 802 CA GLU A 53 13.817 -3.833 2.481 1.00 0.00 C ATOM 803 C GLU A 53 13.294 -4.971 1.610 1.00 0.00 C ATOM 804 O GLU A 53 13.111 -4.810 0.404 1.00 0.00 O ATOM 805 CB GLU A 53 15.305 -4.041 2.773 1.00 0.00 C ATOM 806 CG GLU A 53 16.152 -4.215 1.523 1.00 0.00 C ATOM 807 CD GLU A 53 17.441 -4.966 1.792 1.00 0.00 C ATOM 808 OE1 GLU A 53 17.369 -6.149 2.183 1.00 0.00 O ATOM 809 OE2 GLU A 53 18.524 -4.369 1.611 1.00 0.00 O ATOM 0 H GLU A 53 13.638 -3.760 4.569 1.00 0.00 H new ATOM 0 HA GLU A 53 13.688 -2.896 1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.678 -3.187 3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.423 -4.920 3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 53 15.575 -4.750 0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.387 -3.235 1.108 1.00 0.00 H new ATOM 816 N GLU A 54 13.056 -6.122 2.232 1.00 0.00 N ATOM 817 CA GLU A 54 12.555 -7.288 1.514 1.00 0.00 C ATOM 818 C GLU A 54 11.076 -7.125 1.176 1.00 0.00 C ATOM 819 O GLU A 54 10.624 -7.528 0.104 1.00 0.00 O ATOM 820 CB GLU A 54 12.762 -8.555 2.346 1.00 0.00 C ATOM 821 CG GLU A 54 14.206 -9.027 2.388 1.00 0.00 C ATOM 822 CD GLU A 54 14.392 -10.261 3.249 1.00 0.00 C ATOM 823 OE1 GLU A 54 13.529 -10.514 4.116 1.00 0.00 O ATOM 824 OE2 GLU A 54 15.400 -10.973 3.056 1.00 0.00 O ATOM 0 H GLU A 54 13.202 -6.272 3.230 1.00 0.00 H new ATOM 0 HA GLU A 54 13.115 -7.377 0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.419 -8.371 3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.140 -9.352 1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.544 -9.242 1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.836 -8.224 2.770 1.00 0.00 H new ATOM 831 N VAL A 55 10.326 -6.531 2.099 1.00 0.00 N ATOM 832 CA VAL A 55 8.898 -6.313 1.899 1.00 0.00 C ATOM 833 C VAL A 55 8.639 -5.472 0.654 1.00 0.00 C ATOM 834 O VAL A 55 7.901 -5.883 -0.242 1.00 0.00 O ATOM 835 CB VAL A 55 8.261 -5.618 3.117 1.00 0.00 C ATOM 836 CG1 VAL A 55 6.783 -5.356 2.870 1.00 0.00 C ATOM 837 CG2 VAL A 55 8.460 -6.453 4.372 1.00 0.00 C ATOM 0 H VAL A 55 10.683 -6.192 2.992 1.00 0.00 H new ATOM 0 HA VAL A 55 8.443 -7.295 1.771 1.00 0.00 H new ATOM 0 HB VAL A 55 8.756 -4.658 3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.350 -4.865 3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.668 -4.714 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.270 -6.302 2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.003 -5.946 5.222 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.993 -7.429 4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.526 -6.583 4.557 1.00 0.00 H new ATOM 847 N ARG A 56 9.250 -4.294 0.605 1.00 0.00 N ATOM 848 CA ARG A 56 9.085 -3.394 -0.530 1.00 0.00 C ATOM 849 C ARG A 56 9.391 -4.111 -1.841 1.00 0.00 C ATOM 850 O ARG A 56 8.640 -4.004 -2.811 1.00 0.00 O ATOM 851 CB ARG A 56 9.997 -2.175 -0.379 1.00 0.00 C ATOM 852 CG ARG A 56 11.476 -2.521 -0.340 1.00 0.00 C ATOM 853 CD ARG A 56 12.338 -1.273 -0.242 1.00 0.00 C ATOM 854 NE ARG A 56 12.651 -0.719 -1.557 1.00 0.00 N ATOM 855 CZ ARG A 56 13.709 0.048 -1.798 1.00 0.00 C ATOM 856 NH1 ARG A 56 14.550 0.351 -0.819 1.00 0.00 N ATOM 857 NH2 ARG A 56 13.926 0.514 -3.022 1.00 0.00 N ATOM 0 H ARG A 56 9.864 -3.940 1.338 1.00 0.00 H new ATOM 0 HA ARG A 56 8.047 -3.062 -0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.815 -1.491 -1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.732 -1.645 0.536 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.676 -3.171 0.512 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.744 -3.080 -1.237 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.821 -0.521 0.354 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.264 -1.512 0.280 1.00 0.00 H new ATOM 0 HE ARG A 56 12.023 -0.933 -2.332 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.386 -0.005 0.123 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.361 0.940 -1.007 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.281 0.283 -3.777 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.738 1.103 -3.207 1.00 0.00 H new ATOM 871 N LYS A 57 10.500 -4.844 -1.864 1.00 0.00 N ATOM 872 CA LYS A 57 10.906 -5.580 -3.055 1.00 0.00 C ATOM 873 C LYS A 57 9.891 -6.667 -3.396 1.00 0.00 C ATOM 874 O LYS A 57 9.497 -6.821 -4.552 1.00 0.00 O ATOM 875 CB LYS A 57 12.288 -6.206 -2.846 1.00 0.00 C ATOM 876 CG LYS A 57 13.434 -5.306 -3.277 1.00 0.00 C ATOM 877 CD LYS A 57 14.722 -6.092 -3.457 1.00 0.00 C ATOM 878 CE LYS A 57 15.306 -6.519 -2.119 1.00 0.00 C ATOM 879 NZ LYS A 57 16.313 -7.605 -2.275 1.00 0.00 N ATOM 0 H LYS A 57 11.133 -4.944 -1.071 1.00 0.00 H new ATOM 0 HA LYS A 57 10.953 -4.878 -3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.409 -6.455 -1.792 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.342 -7.141 -3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.176 -4.809 -4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.584 -4.525 -2.532 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.529 -6.973 -4.069 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.449 -5.483 -3.995 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.770 -5.660 -1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.504 -6.859 -1.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 16.687 -7.868 -1.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.864 -8.434 -2.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 17.092 -7.272 -2.879 1.00 0.00 H new ATOM 893 N PHE A 58 9.471 -7.416 -2.383 1.00 0.00 N ATOM 894 CA PHE A 58 8.501 -8.488 -2.575 1.00 0.00 C ATOM 895 C PHE A 58 7.173 -7.934 -3.083 1.00 0.00 C ATOM 896 O PHE A 58 6.507 -8.553 -3.913 1.00 0.00 O ATOM 897 CB PHE A 58 8.282 -9.248 -1.265 1.00 0.00 C ATOM 898 CG PHE A 58 7.110 -10.187 -1.306 1.00 0.00 C ATOM 899 CD1 PHE A 58 7.167 -11.355 -2.048 1.00 0.00 C ATOM 900 CD2 PHE A 58 5.951 -9.900 -0.602 1.00 0.00 C ATOM 901 CE1 PHE A 58 6.090 -12.222 -2.087 1.00 0.00 C ATOM 902 CE2 PHE A 58 4.872 -10.762 -0.637 1.00 0.00 C ATOM 903 CZ PHE A 58 4.941 -11.924 -1.381 1.00 0.00 C ATOM 0 H PHE A 58 9.787 -7.301 -1.420 1.00 0.00 H new ATOM 0 HA PHE A 58 8.899 -9.175 -3.322 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.183 -9.814 -1.028 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.134 -8.530 -0.458 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.063 -11.592 -2.603 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.891 -8.992 -0.020 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.147 -13.130 -2.668 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.975 -10.528 -0.083 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.098 -12.598 -1.410 1.00 0.00 H new ATOM 913 N ALA A 59 6.794 -6.765 -2.579 1.00 0.00 N ATOM 914 CA ALA A 59 5.547 -6.127 -2.982 1.00 0.00 C ATOM 915 C ALA A 59 5.670 -5.509 -4.370 1.00 0.00 C ATOM 916 O ALA A 59 4.740 -5.575 -5.174 1.00 0.00 O ATOM 917 CB ALA A 59 5.143 -5.069 -1.965 1.00 0.00 C ATOM 0 H ALA A 59 7.333 -6.240 -1.890 1.00 0.00 H new ATOM 0 HA ALA A 59 4.772 -6.893 -3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.210 -4.600 -2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.005 -5.536 -0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.924 -4.312 -1.898 1.00 0.00 H new ATOM 923 N ARG A 60 6.823 -4.908 -4.645 1.00 0.00 N ATOM 924 CA ARG A 60 7.067 -4.276 -5.936 1.00 0.00 C ATOM 925 C ARG A 60 6.837 -5.264 -7.077 1.00 0.00 C ATOM 926 O ARG A 60 5.957 -5.068 -7.915 1.00 0.00 O ATOM 927 CB ARG A 60 8.494 -3.730 -6.000 1.00 0.00 C ATOM 928 CG ARG A 60 8.669 -2.398 -5.289 1.00 0.00 C ATOM 929 CD ARG A 60 10.095 -2.213 -4.794 1.00 0.00 C ATOM 930 NE ARG A 60 10.317 -0.876 -4.252 1.00 0.00 N ATOM 931 CZ ARG A 60 10.631 0.177 -4.998 1.00 0.00 C ATOM 932 NH1 ARG A 60 10.760 0.049 -6.311 1.00 0.00 N ATOM 933 NH2 ARG A 60 10.818 1.362 -4.430 1.00 0.00 N ATOM 0 H ARG A 60 7.603 -4.845 -3.991 1.00 0.00 H new ATOM 0 HA ARG A 60 6.365 -3.450 -6.046 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.173 -4.460 -5.559 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.784 -3.615 -7.045 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.410 -1.585 -5.968 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.980 -2.341 -4.446 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.311 -2.956 -4.026 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.790 -2.391 -5.615 1.00 0.00 H new ATOM 0 HE ARG A 60 10.226 -0.743 -3.245 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.618 -0.860 -6.751 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.001 0.860 -6.881 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.721 1.464 -3.420 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.059 2.170 -5.004 1.00 0.00 H new ATOM 947 N LEU A 61 7.635 -6.326 -7.102 1.00 0.00 N ATOM 948 CA LEU A 61 7.520 -7.345 -8.139 1.00 0.00 C ATOM 949 C LEU A 61 6.059 -7.599 -8.494 1.00 0.00 C ATOM 950 O LEU A 61 5.716 -7.783 -9.661 1.00 0.00 O ATOM 951 CB LEU A 61 8.179 -8.646 -7.678 1.00 0.00 C ATOM 952 CG LEU A 61 7.313 -9.569 -6.820 1.00 0.00 C ATOM 953 CD1 LEU A 61 6.484 -10.493 -7.699 1.00 0.00 C ATOM 954 CD2 LEU A 61 8.178 -10.376 -5.863 1.00 0.00 C ATOM 0 H LEU A 61 8.369 -6.504 -6.416 1.00 0.00 H new ATOM 0 HA LEU A 61 8.032 -6.981 -9.030 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.501 -9.199 -8.560 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.077 -8.395 -7.114 1.00 0.00 H new ATOM 0 HG LEU A 61 6.633 -8.953 -6.232 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.874 -11.142 -7.071 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.836 -9.898 -8.343 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.147 -11.102 -8.314 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.544 -11.027 -5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.883 -10.982 -6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.727 -9.698 -5.209 1.00 0.00 H new ATOM 966 N ASN A 62 5.201 -7.604 -7.478 1.00 0.00 N ATOM 967 CA ASN A 62 3.776 -7.833 -7.683 1.00 0.00 C ATOM 968 C ASN A 62 3.005 -6.517 -7.662 1.00 0.00 C ATOM 969 O ASN A 62 2.748 -5.953 -6.598 1.00 0.00 O ATOM 970 CB ASN A 62 3.230 -8.774 -6.607 1.00 0.00 C ATOM 971 CG ASN A 62 1.997 -9.527 -7.069 1.00 0.00 C ATOM 972 OD1 ASN A 62 2.099 -10.571 -7.714 1.00 0.00 O ATOM 973 ND2 ASN A 62 0.824 -8.999 -6.742 1.00 0.00 N ATOM 0 H ASN A 62 5.468 -7.452 -6.505 1.00 0.00 H new ATOM 0 HA ASN A 62 3.645 -8.295 -8.661 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.004 -9.488 -6.326 1.00 0.00 H new ATOM 0 HB3 ASN A 62 2.987 -8.198 -5.714 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.040 -9.460 -7.026 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.787 -8.132 -6.206 1.00 0.00 H new ATOM 980 N ILE A 63 2.638 -6.034 -8.844 1.00 0.00 N ATOM 981 CA ILE A 63 1.895 -4.785 -8.962 1.00 0.00 C ATOM 982 C ILE A 63 0.406 -5.048 -9.159 1.00 0.00 C ATOM 983 O ILE A 63 -0.004 -5.629 -10.164 1.00 0.00 O ATOM 984 CB ILE A 63 2.414 -3.929 -10.132 1.00 0.00 C ATOM 985 CG1 ILE A 63 3.896 -3.602 -9.936 1.00 0.00 C ATOM 986 CG2 ILE A 63 1.596 -2.652 -10.257 1.00 0.00 C ATOM 987 CD1 ILE A 63 4.583 -3.133 -11.199 1.00 0.00 C ATOM 0 H ILE A 63 2.843 -6.488 -9.734 1.00 0.00 H new ATOM 0 HA ILE A 63 2.045 -4.239 -8.030 1.00 0.00 H new ATOM 0 HB ILE A 63 2.306 -4.498 -11.055 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.992 -2.830 -9.172 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.409 -4.488 -9.561 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.975 -2.057 -11.088 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.551 -2.905 -10.438 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.675 -2.077 -9.334 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.630 -2.919 -10.986 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.519 -3.912 -11.959 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.095 -2.229 -11.564 1.00 0.00 H new ATOM 999 N ASP A 64 -0.399 -4.615 -8.195 1.00 0.00 N ATOM 1000 CA ASP A 64 -1.843 -4.801 -8.264 1.00 0.00 C ATOM 1001 C ASP A 64 -2.428 -4.071 -9.469 1.00 0.00 C ATOM 1002 O ASP A 64 -2.032 -2.953 -9.801 1.00 0.00 O ATOM 1003 CB ASP A 64 -2.505 -4.301 -6.979 1.00 0.00 C ATOM 1004 CG ASP A 64 -1.799 -4.798 -5.733 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -1.503 -6.009 -5.663 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -1.543 -3.976 -4.828 1.00 0.00 O ATOM 0 H ASP A 64 -0.076 -4.133 -7.356 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.042 -5.867 -8.375 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.513 -3.211 -6.978 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.545 -4.627 -6.959 1.00 0.00 H new ATOM 1011 N PRO A 65 -3.393 -4.715 -10.141 1.00 0.00 N ATOM 1012 CA PRO A 65 -4.053 -4.146 -11.320 1.00 0.00 C ATOM 1013 C PRO A 65 -4.951 -2.965 -10.968 1.00 0.00 C ATOM 1014 O PRO A 65 -5.624 -2.406 -11.834 1.00 0.00 O ATOM 1015 CB PRO A 65 -4.888 -5.312 -11.857 1.00 0.00 C ATOM 1016 CG PRO A 65 -5.136 -6.178 -10.670 1.00 0.00 C ATOM 1017 CD PRO A 65 -3.916 -6.050 -9.801 1.00 0.00 C ATOM 0 HA PRO A 65 -3.335 -3.752 -12.039 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -5.823 -4.961 -12.294 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -4.355 -5.854 -12.638 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -6.031 -5.860 -10.135 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -5.295 -7.214 -10.969 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.167 -6.126 -8.743 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.188 -6.833 -10.013 1.00 0.00 H new ATOM 1025 N ALA A 66 -4.957 -2.591 -9.693 1.00 0.00 N ATOM 1026 CA ALA A 66 -5.771 -1.475 -9.228 1.00 0.00 C ATOM 1027 C ALA A 66 -4.899 -0.290 -8.826 1.00 0.00 C ATOM 1028 O ALA A 66 -5.398 0.811 -8.593 1.00 0.00 O ATOM 1029 CB ALA A 66 -6.645 -1.910 -8.061 1.00 0.00 C ATOM 0 H ALA A 66 -4.407 -3.045 -8.963 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.413 -1.158 -10.050 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.248 -1.067 -7.724 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.301 -2.720 -8.380 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.014 -2.255 -7.242 1.00 0.00 H new ATOM 1035 N THR A 67 -3.593 -0.523 -8.745 1.00 0.00 N ATOM 1036 CA THR A 67 -2.651 0.524 -8.369 1.00 0.00 C ATOM 1037 C THR A 67 -1.431 0.521 -9.282 1.00 0.00 C ATOM 1038 O THR A 67 -0.352 0.970 -8.894 1.00 0.00 O ATOM 1039 CB THR A 67 -2.186 0.364 -6.909 1.00 0.00 C ATOM 1040 OG1 THR A 67 -1.930 -1.016 -6.625 1.00 0.00 O ATOM 1041 CG2 THR A 67 -3.235 0.900 -5.945 1.00 0.00 C ATOM 0 H THR A 67 -3.163 -1.428 -8.935 1.00 0.00 H new ATOM 0 HA THR A 67 -3.177 1.473 -8.473 1.00 0.00 H new ATOM 0 HB THR A 67 -1.268 0.938 -6.778 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.633 -1.109 -5.696 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.885 0.776 -4.920 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.406 1.958 -6.145 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.167 0.350 -6.079 1.00 0.00 H new ATOM 1049 N ILE A 68 -1.609 0.013 -10.497 1.00 0.00 N ATOM 1050 CA ILE A 68 -0.521 -0.047 -11.466 1.00 0.00 C ATOM 1051 C ILE A 68 0.437 1.126 -11.290 1.00 0.00 C ATOM 1052 O ILE A 68 0.012 2.271 -11.125 1.00 0.00 O ATOM 1053 CB ILE A 68 -1.054 -0.047 -12.911 1.00 0.00 C ATOM 1054 CG1 ILE A 68 -1.606 -1.427 -13.274 1.00 0.00 C ATOM 1055 CG2 ILE A 68 0.044 0.362 -13.881 1.00 0.00 C ATOM 1056 CD1 ILE A 68 -3.080 -1.587 -12.974 1.00 0.00 C ATOM 0 H ILE A 68 -2.495 -0.363 -10.834 1.00 0.00 H new ATOM 0 HA ILE A 68 0.013 -0.980 -11.284 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.864 0.678 -12.983 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.438 -1.609 -14.336 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.048 -2.188 -12.728 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.348 0.357 -14.898 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.395 1.364 -13.632 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.874 -0.341 -13.809 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.402 -2.589 -13.257 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.253 -1.437 -11.908 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.649 -0.850 -13.541 1.00 0.00 H new ATOM 1068 N THR A 69 1.734 0.835 -11.327 1.00 0.00 N ATOM 1069 CA THR A 69 2.753 1.865 -11.173 1.00 0.00 C ATOM 1070 C THR A 69 3.700 1.885 -12.367 1.00 0.00 C ATOM 1071 O THR A 69 4.751 1.245 -12.349 1.00 0.00 O ATOM 1072 CB THR A 69 3.573 1.655 -9.886 1.00 0.00 C ATOM 1073 OG1 THR A 69 4.075 0.315 -9.838 1.00 0.00 O ATOM 1074 CG2 THR A 69 2.725 1.929 -8.653 1.00 0.00 C ATOM 0 H THR A 69 2.103 -0.106 -11.462 1.00 0.00 H new ATOM 0 HA THR A 69 2.231 2.820 -11.111 1.00 0.00 H new ATOM 0 HB THR A 69 4.408 2.355 -9.896 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.524 0.103 -10.683 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.326 1.774 -7.757 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.369 2.959 -8.678 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.872 1.250 -8.640 1.00 0.00 H new ATOM 1082 N TRP A 70 3.321 2.624 -13.404 1.00 0.00 N ATOM 1083 CA TRP A 70 4.138 2.728 -14.607 1.00 0.00 C ATOM 1084 C TRP A 70 5.548 3.201 -14.269 1.00 0.00 C ATOM 1085 O TRP A 70 6.531 2.643 -14.755 1.00 0.00 O ATOM 1086 CB TRP A 70 3.491 3.688 -15.607 1.00 0.00 C ATOM 1087 CG TRP A 70 2.007 3.512 -15.724 1.00 0.00 C ATOM 1088 CD1 TRP A 70 1.343 2.738 -16.632 1.00 0.00 C ATOM 1089 CD2 TRP A 70 1.004 4.124 -14.906 1.00 0.00 C ATOM 1090 NE1 TRP A 70 -0.013 2.832 -16.428 1.00 0.00 N ATOM 1091 CE2 TRP A 70 -0.247 3.676 -15.374 1.00 0.00 C ATOM 1092 CE3 TRP A 70 1.040 5.006 -13.823 1.00 0.00 C ATOM 1093 CZ2 TRP A 70 -1.447 4.081 -14.796 1.00 0.00 C ATOM 1094 CZ3 TRP A 70 -0.151 5.408 -13.250 1.00 0.00 C ATOM 1095 CH2 TRP A 70 -1.381 4.946 -13.737 1.00 0.00 C ATOM 0 H TRP A 70 2.453 3.160 -13.436 1.00 0.00 H new ATOM 0 HA TRP A 70 4.205 1.737 -15.057 1.00 0.00 H new ATOM 0 HB2 TRP A 70 3.706 4.714 -15.306 1.00 0.00 H new ATOM 0 HB3 TRP A 70 3.946 3.541 -16.587 1.00 0.00 H new ATOM 0 HD1 TRP A 70 1.814 2.140 -17.398 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -0.729 2.351 -16.973 1.00 0.00 H new ATOM 0 HE3 TRP A 70 1.983 5.367 -13.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -2.396 3.726 -15.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.134 6.090 -12.413 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.295 5.279 -13.268 1.00 0.00 H new ATOM 1106 N GLN A 71 5.637 4.232 -13.435 1.00 0.00 N ATOM 1107 CA GLN A 71 6.928 4.779 -13.034 1.00 0.00 C ATOM 1108 C GLN A 71 6.928 5.144 -11.553 1.00 0.00 C ATOM 1109 O GLN A 71 5.921 4.981 -10.863 1.00 0.00 O ATOM 1110 CB GLN A 71 7.268 6.010 -13.875 1.00 0.00 C ATOM 1111 CG GLN A 71 6.414 7.225 -13.548 1.00 0.00 C ATOM 1112 CD GLN A 71 6.362 8.226 -14.686 1.00 0.00 C ATOM 1113 OE1 GLN A 71 6.792 7.936 -15.803 1.00 0.00 O ATOM 1114 NE2 GLN A 71 5.834 9.412 -14.408 1.00 0.00 N ATOM 0 H GLN A 71 4.832 4.705 -13.024 1.00 0.00 H new ATOM 0 HA GLN A 71 7.686 4.014 -13.201 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.318 6.263 -13.726 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.146 5.764 -14.930 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.402 6.899 -13.309 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.810 7.713 -12.658 1.00 0.00 H new ATOM 0 HE21 GLN A 71 5.490 9.609 -13.468 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.772 10.126 -15.134 1.00 0.00 H new TER 1123 GLN A 71