USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=19 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+ -141:sc= 0.00657 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 36:sc= 1.01 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= -0.136 K(o=-0.14,f=-2.1!) USER MOD Single : A 11 THR OG1 : rot 27:sc= 0.0492 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 165:sc= -0.591 USER MOD Single : A 17 ASN : amide:sc= 0.557 K(o=0.56,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.0868 X(o=-0.087,f=-0.077) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0125 USER MOD Single : A 33 GLN : amide:sc= -1.33! C(o=-1.3!,f=-7.3!) 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+ -157:sc= -0.0104 (180deg=-0.379) USER MOD Single : A 43 HIS : no HD1:sc= -0.241 X(o=-0.24,f=-0.53) USER MOD Single : A 44 LYS NZ :NH3+ 172:sc= 2.35 (180deg=1.98) 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 -30:sc= 0.772 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0341 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.122 K(o=-0.12,f=-2.1!) USER MOD Single : A 67 THR OG1 : rot -55:sc= -0.0783 USER MOD Single : A 69 THR OG1 : rot 86:sc= 1.07 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.244 0.389 -2.835 1.00 0.00 N ATOM 2 CA GLY A 1 -14.995 1.621 -2.681 1.00 0.00 C ATOM 3 C GLY A 1 -14.418 2.758 -3.502 1.00 0.00 C ATOM 4 O GLY A 1 -14.013 2.561 -4.647 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.901 -0.416 -2.867 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.696 0.424 -3.718 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.595 0.275 -2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.030 1.452 -2.978 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.008 1.906 -1.629 1.00 0.00 H new ATOM 8 N SER A 2 -14.383 3.950 -2.916 1.00 0.00 N ATOM 9 CA SER A 2 -13.857 5.124 -3.603 1.00 0.00 C ATOM 10 C SER A 2 -13.092 6.023 -2.635 1.00 0.00 C ATOM 11 O SER A 2 -13.600 6.385 -1.574 1.00 0.00 O ATOM 12 CB SER A 2 -14.995 5.911 -4.256 1.00 0.00 C ATOM 13 OG SER A 2 -14.504 6.770 -5.271 1.00 0.00 O ATOM 0 H SER A 2 -14.712 4.129 -1.967 1.00 0.00 H new ATOM 0 HA SER A 2 -13.169 4.784 -4.377 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.723 5.219 -4.681 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.517 6.497 -3.500 1.00 0.00 H new ATOM 0 HG SER A 2 -15.251 7.260 -5.674 1.00 0.00 H new ATOM 19 N SER A 3 -11.868 6.378 -3.010 1.00 0.00 N ATOM 20 CA SER A 3 -11.030 7.230 -2.175 1.00 0.00 C ATOM 21 C SER A 3 -9.857 7.790 -2.975 1.00 0.00 C ATOM 22 O SER A 3 -9.539 7.300 -4.058 1.00 0.00 O ATOM 23 CB SER A 3 -10.511 6.447 -0.968 1.00 0.00 C ATOM 24 OG SER A 3 -11.425 6.509 0.112 1.00 0.00 O ATOM 0 H SER A 3 -11.434 6.089 -3.887 1.00 0.00 H new ATOM 0 HA SER A 3 -11.639 8.063 -1.824 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.346 5.407 -1.249 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.547 6.850 -0.656 1.00 0.00 H new ATOM 0 HG SER A 3 -12.342 6.498 -0.234 1.00 0.00 H new ATOM 30 N GLY A 4 -9.217 8.822 -2.432 1.00 0.00 N ATOM 31 CA GLY A 4 -8.087 9.432 -3.108 1.00 0.00 C ATOM 32 C GLY A 4 -6.759 8.873 -2.637 1.00 0.00 C ATOM 33 O GLY A 4 -6.698 8.160 -1.635 1.00 0.00 O ATOM 0 H GLY A 4 -9.461 9.246 -1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.183 9.276 -4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.105 10.509 -2.940 1.00 0.00 H new ATOM 37 N SER A 5 -5.693 9.196 -3.362 1.00 0.00 N ATOM 38 CA SER A 5 -4.360 8.716 -3.016 1.00 0.00 C ATOM 39 C SER A 5 -3.404 9.884 -2.790 1.00 0.00 C ATOM 40 O SER A 5 -3.581 10.963 -3.354 1.00 0.00 O ATOM 41 CB SER A 5 -3.820 7.806 -4.120 1.00 0.00 C ATOM 42 OG SER A 5 -4.649 6.670 -4.297 1.00 0.00 O ATOM 0 H SER A 5 -5.726 9.788 -4.192 1.00 0.00 H new ATOM 0 HA SER A 5 -4.435 8.146 -2.090 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.756 8.362 -5.055 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.809 7.486 -3.869 1.00 0.00 H new ATOM 0 HG SER A 5 -4.283 6.106 -5.009 1.00 0.00 H new ATOM 48 N SER A 6 -2.390 9.658 -1.960 1.00 0.00 N ATOM 49 CA SER A 6 -1.408 10.692 -1.655 1.00 0.00 C ATOM 50 C SER A 6 -0.227 10.108 -0.885 1.00 0.00 C ATOM 51 O SER A 6 -0.226 8.931 -0.527 1.00 0.00 O ATOM 52 CB SER A 6 -2.054 11.817 -0.845 1.00 0.00 C ATOM 53 OG SER A 6 -2.467 11.355 0.430 1.00 0.00 O ATOM 0 H SER A 6 -2.227 8.769 -1.487 1.00 0.00 H new ATOM 0 HA SER A 6 -1.040 11.099 -2.597 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.346 12.637 -0.726 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.912 12.213 -1.387 1.00 0.00 H new ATOM 0 HG SER A 6 -2.875 12.093 0.929 1.00 0.00 H new ATOM 59 N GLY A 7 0.778 10.942 -0.634 1.00 0.00 N ATOM 60 CA GLY A 7 1.951 10.492 0.092 1.00 0.00 C ATOM 61 C GLY A 7 1.600 9.835 1.412 1.00 0.00 C ATOM 62 O GLY A 7 1.226 10.512 2.370 1.00 0.00 O ATOM 0 H GLY A 7 0.800 11.921 -0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.507 9.786 -0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.608 11.342 0.276 1.00 0.00 H new ATOM 66 N SER A 8 1.719 8.512 1.463 1.00 0.00 N ATOM 67 CA SER A 8 1.405 7.763 2.674 1.00 0.00 C ATOM 68 C SER A 8 2.646 7.055 3.211 1.00 0.00 C ATOM 69 O SER A 8 3.596 6.795 2.473 1.00 0.00 O ATOM 70 CB SER A 8 0.302 6.741 2.396 1.00 0.00 C ATOM 71 OG SER A 8 -0.431 6.447 3.573 1.00 0.00 O ATOM 0 H SER A 8 2.030 7.937 0.680 1.00 0.00 H new ATOM 0 HA SER A 8 1.055 8.469 3.427 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.372 7.128 1.632 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.742 5.826 2.000 1.00 0.00 H new ATOM 0 HG SER A 8 -1.131 5.793 3.368 1.00 0.00 H new ATOM 77 N THR A 9 2.630 6.747 4.505 1.00 0.00 N ATOM 78 CA THR A 9 3.753 6.071 5.143 1.00 0.00 C ATOM 79 C THR A 9 3.701 4.568 4.897 1.00 0.00 C ATOM 80 O THR A 9 4.723 3.885 4.955 1.00 0.00 O ATOM 81 CB THR A 9 3.776 6.331 6.661 1.00 0.00 C ATOM 82 OG1 THR A 9 5.030 5.912 7.211 1.00 0.00 O ATOM 83 CG2 THR A 9 2.640 5.593 7.354 1.00 0.00 C ATOM 0 H THR A 9 1.852 6.955 5.131 1.00 0.00 H new ATOM 0 HA THR A 9 4.661 6.478 4.698 1.00 0.00 H new ATOM 0 HB THR A 9 3.647 7.401 6.826 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.037 6.082 8.176 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.677 5.792 8.425 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.686 5.936 6.954 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.742 4.522 7.180 1.00 0.00 H new ATOM 91 N GLN A 10 2.504 4.058 4.623 1.00 0.00 N ATOM 92 CA GLN A 10 2.321 2.634 4.368 1.00 0.00 C ATOM 93 C GLN A 10 2.282 2.349 2.871 1.00 0.00 C ATOM 94 O GLN A 10 1.595 1.432 2.419 1.00 0.00 O ATOM 95 CB GLN A 10 1.032 2.139 5.027 1.00 0.00 C ATOM 96 CG GLN A 10 -0.141 3.092 4.862 1.00 0.00 C ATOM 97 CD GLN A 10 -1.481 2.395 4.985 1.00 0.00 C ATOM 98 OE1 GLN A 10 -1.571 1.173 4.867 1.00 0.00 O ATOM 99 NE2 GLN A 10 -2.533 3.170 5.223 1.00 0.00 N ATOM 0 H GLN A 10 1.647 4.609 4.572 1.00 0.00 H new ATOM 0 HA GLN A 10 3.169 2.102 4.798 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.765 1.171 4.603 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.215 1.982 6.090 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.074 3.878 5.614 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.076 3.577 3.888 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.413 4.179 5.314 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.461 2.756 5.315 1.00 0.00 H new ATOM 108 N THR A 11 3.024 3.142 2.103 1.00 0.00 N ATOM 109 CA THR A 11 3.074 2.976 0.656 1.00 0.00 C ATOM 110 C THR A 11 3.133 1.502 0.273 1.00 0.00 C ATOM 111 O THR A 11 2.247 0.993 -0.413 1.00 0.00 O ATOM 112 CB THR A 11 4.290 3.701 0.049 1.00 0.00 C ATOM 113 OG1 THR A 11 4.262 5.087 0.406 1.00 0.00 O ATOM 114 CG2 THR A 11 4.302 3.562 -1.466 1.00 0.00 C ATOM 0 H THR A 11 3.598 3.906 2.460 1.00 0.00 H new ATOM 0 HA THR A 11 2.161 3.416 0.256 1.00 0.00 H new ATOM 0 HB THR A 11 5.195 3.242 0.447 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.784 5.197 1.255 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.170 4.082 -1.872 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.353 2.507 -1.734 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.392 3.998 -1.879 1.00 0.00 H new ATOM 122 N ASP A 12 4.181 0.820 0.722 1.00 0.00 N ATOM 123 CA ASP A 12 4.354 -0.598 0.428 1.00 0.00 C ATOM 124 C ASP A 12 3.697 -1.460 1.501 1.00 0.00 C ATOM 125 O ASP A 12 3.155 -2.527 1.211 1.00 0.00 O ATOM 126 CB ASP A 12 5.841 -0.941 0.320 1.00 0.00 C ATOM 127 CG ASP A 12 6.514 -0.240 -0.844 1.00 0.00 C ATOM 128 OD1 ASP A 12 6.790 0.972 -0.727 1.00 0.00 O ATOM 129 OD2 ASP A 12 6.763 -0.904 -1.872 1.00 0.00 O ATOM 0 H ASP A 12 4.924 1.226 1.291 1.00 0.00 H new ATOM 0 HA ASP A 12 3.871 -0.807 -0.526 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.343 -0.664 1.247 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.955 -2.019 0.206 1.00 0.00 H new ATOM 134 N LYS A 13 3.749 -0.991 2.743 1.00 0.00 N ATOM 135 CA LYS A 13 3.159 -1.717 3.861 1.00 0.00 C ATOM 136 C LYS A 13 1.701 -2.063 3.577 1.00 0.00 C ATOM 137 O LYS A 13 1.191 -3.079 4.048 1.00 0.00 O ATOM 138 CB LYS A 13 3.258 -0.888 5.144 1.00 0.00 C ATOM 139 CG LYS A 13 2.684 -1.586 6.365 1.00 0.00 C ATOM 140 CD LYS A 13 1.197 -1.311 6.517 1.00 0.00 C ATOM 141 CE LYS A 13 0.771 -1.346 7.977 1.00 0.00 C ATOM 142 NZ LYS A 13 -0.672 -1.682 8.125 1.00 0.00 N ATOM 0 H LYS A 13 4.194 -0.110 3.001 1.00 0.00 H new ATOM 0 HA LYS A 13 3.715 -2.645 3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.305 -0.648 5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.735 0.057 4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.850 -2.660 6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.210 -1.250 7.258 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.961 -0.336 6.091 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.629 -2.051 5.953 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.372 -2.080 8.513 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.967 -0.377 8.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.923 -1.696 9.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.247 -0.967 7.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.855 -2.618 7.710 1.00 0.00 H new ATOM 156 N ALA A 14 1.036 -1.211 2.804 1.00 0.00 N ATOM 157 CA ALA A 14 -0.362 -1.428 2.454 1.00 0.00 C ATOM 158 C ALA A 14 -0.532 -2.706 1.638 1.00 0.00 C ATOM 159 O ALA A 14 -1.528 -3.416 1.779 1.00 0.00 O ATOM 160 CB ALA A 14 -0.906 -0.233 1.686 1.00 0.00 C ATOM 0 H ALA A 14 1.443 -0.364 2.408 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.929 -1.540 3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.951 -0.409 1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.829 0.662 2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.328 -0.094 0.772 1.00 0.00 H new ATOM 166 N LEU A 15 0.445 -2.991 0.785 1.00 0.00 N ATOM 167 CA LEU A 15 0.403 -4.183 -0.055 1.00 0.00 C ATOM 168 C LEU A 15 0.759 -5.429 0.750 1.00 0.00 C ATOM 169 O LEU A 15 -0.018 -6.382 0.815 1.00 0.00 O ATOM 170 CB LEU A 15 1.364 -4.033 -1.236 1.00 0.00 C ATOM 171 CG LEU A 15 1.234 -2.743 -2.047 1.00 0.00 C ATOM 172 CD1 LEU A 15 2.535 -2.437 -2.773 1.00 0.00 C ATOM 173 CD2 LEU A 15 0.081 -2.848 -3.034 1.00 0.00 C ATOM 0 H LEU A 15 1.276 -2.413 0.656 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.613 -4.295 -0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.385 -4.100 -0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.216 -4.878 -1.909 1.00 0.00 H new ATOM 0 HG LEU A 15 1.024 -1.923 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.424 -1.516 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.338 -2.318 -2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.776 -3.257 -3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.003 -1.921 -3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.261 -3.678 -3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.848 -3.020 -2.491 1.00 0.00 H new ATOM 185 N TYR A 16 1.938 -5.414 1.363 1.00 0.00 N ATOM 186 CA TYR A 16 2.397 -6.543 2.164 1.00 0.00 C ATOM 187 C TYR A 16 1.234 -7.192 2.908 1.00 0.00 C ATOM 188 O TYR A 16 1.067 -8.410 2.879 1.00 0.00 O ATOM 189 CB TYR A 16 3.464 -6.087 3.161 1.00 0.00 C ATOM 190 CG TYR A 16 4.205 -7.229 3.819 1.00 0.00 C ATOM 191 CD1 TYR A 16 4.634 -8.323 3.078 1.00 0.00 C ATOM 192 CD2 TYR A 16 4.474 -7.214 5.182 1.00 0.00 C ATOM 193 CE1 TYR A 16 5.311 -9.369 3.676 1.00 0.00 C ATOM 194 CE2 TYR A 16 5.151 -8.255 5.788 1.00 0.00 C ATOM 195 CZ TYR A 16 5.567 -9.330 5.030 1.00 0.00 C ATOM 196 OH TYR A 16 6.241 -10.369 5.630 1.00 0.00 O ATOM 0 H TYR A 16 2.593 -4.633 1.320 1.00 0.00 H new ATOM 0 HA TYR A 16 2.831 -7.282 1.490 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.181 -5.448 2.646 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.992 -5.479 3.933 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.435 -8.357 2.017 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.148 -6.374 5.778 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.638 -10.212 3.086 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.353 -8.227 6.849 1.00 0.00 H new ATOM 0 HH TYR A 16 6.550 -10.090 6.517 1.00 0.00 H new ATOM 206 N ASN A 17 0.432 -6.368 3.573 1.00 0.00 N ATOM 207 CA ASN A 17 -0.716 -6.860 4.326 1.00 0.00 C ATOM 208 C ASN A 17 -1.700 -7.580 3.408 1.00 0.00 C ATOM 209 O ASN A 17 -2.243 -8.626 3.762 1.00 0.00 O ATOM 210 CB ASN A 17 -1.420 -5.703 5.038 1.00 0.00 C ATOM 211 CG ASN A 17 -0.781 -5.372 6.373 1.00 0.00 C ATOM 212 OD1 ASN A 17 -1.311 -5.715 7.430 1.00 0.00 O ATOM 213 ND2 ASN A 17 0.365 -4.702 6.330 1.00 0.00 N ATOM 0 H ASN A 17 0.556 -5.356 3.606 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.354 -7.569 5.070 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.399 -4.820 4.399 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.468 -5.959 5.193 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.842 -4.451 7.196 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.768 -4.438 5.431 1.00 0.00 H new ATOM 220 N ARG A 18 -1.922 -7.013 2.227 1.00 0.00 N ATOM 221 CA ARG A 18 -2.840 -7.600 1.258 1.00 0.00 C ATOM 222 C ARG A 18 -2.215 -8.819 0.586 1.00 0.00 C ATOM 223 O ARG A 18 -2.921 -9.693 0.082 1.00 0.00 O ATOM 224 CB ARG A 18 -3.229 -6.565 0.200 1.00 0.00 C ATOM 225 CG ARG A 18 -4.517 -6.900 -0.534 1.00 0.00 C ATOM 226 CD ARG A 18 -5.012 -5.720 -1.356 1.00 0.00 C ATOM 227 NE ARG A 18 -5.728 -4.744 -0.539 1.00 0.00 N ATOM 228 CZ ARG A 18 -6.229 -3.611 -1.018 1.00 0.00 C ATOM 229 NH1 ARG A 18 -6.095 -3.313 -2.303 1.00 0.00 N ATOM 230 NH2 ARG A 18 -6.868 -2.774 -0.211 1.00 0.00 N ATOM 0 H ARG A 18 -1.479 -6.148 1.918 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.736 -7.919 1.791 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.336 -5.591 0.678 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.420 -6.477 -0.525 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.353 -7.757 -1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.282 -7.190 0.186 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.164 -5.235 -1.840 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.668 -6.080 -2.148 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.850 -4.943 0.454 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.606 -3.955 -2.927 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.481 -2.442 -2.667 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.975 -3.000 0.778 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.253 -1.904 -0.579 1.00 0.00 H new ATOM 244 N LEU A 19 -0.888 -8.870 0.583 1.00 0.00 N ATOM 245 CA LEU A 19 -0.167 -9.982 -0.027 1.00 0.00 C ATOM 246 C LEU A 19 -0.191 -11.210 0.879 1.00 0.00 C ATOM 247 O LEU A 19 -0.315 -12.340 0.407 1.00 0.00 O ATOM 248 CB LEU A 19 1.280 -9.579 -0.319 1.00 0.00 C ATOM 249 CG LEU A 19 1.507 -8.778 -1.602 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.804 -7.988 -1.515 1.00 0.00 C ATOM 251 CD2 LEU A 19 1.522 -9.701 -2.811 1.00 0.00 C ATOM 0 H LEU A 19 -0.289 -8.155 0.996 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.664 -10.234 -0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.650 -8.993 0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.886 -10.484 -0.367 1.00 0.00 H new ATOM 0 HG LEU A 19 0.684 -8.073 -1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.949 -7.424 -2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.754 -7.299 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.639 -8.674 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.685 -9.114 -3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.325 -10.430 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.567 -10.221 -2.883 1.00 0.00 H new ATOM 263 N VAL A 20 -0.075 -10.979 2.183 1.00 0.00 N ATOM 264 CA VAL A 20 -0.087 -12.065 3.155 1.00 0.00 C ATOM 265 C VAL A 20 -1.045 -11.765 4.302 1.00 0.00 C ATOM 266 O VAL A 20 -0.637 -11.396 5.404 1.00 0.00 O ATOM 267 CB VAL A 20 1.319 -12.321 3.728 1.00 0.00 C ATOM 268 CG1 VAL A 20 1.313 -13.545 4.631 1.00 0.00 C ATOM 269 CG2 VAL A 20 2.331 -12.483 2.604 1.00 0.00 C ATOM 0 H VAL A 20 0.028 -10.050 2.590 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.424 -12.958 2.628 1.00 0.00 H new ATOM 0 HB VAL A 20 1.611 -11.458 4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.315 -13.710 5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.619 -13.385 5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.001 -14.418 4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.319 -12.663 3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.046 -13.327 1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.354 -11.575 2.002 1.00 0.00 H new ATOM 279 N PRO A 21 -2.351 -11.926 4.041 1.00 0.00 N ATOM 280 CA PRO A 21 -3.395 -11.678 5.040 1.00 0.00 C ATOM 281 C PRO A 21 -3.389 -12.719 6.155 1.00 0.00 C ATOM 282 O PRO A 21 -2.734 -13.757 6.046 1.00 0.00 O ATOM 283 CB PRO A 21 -4.690 -11.770 4.230 1.00 0.00 C ATOM 284 CG PRO A 21 -4.351 -12.642 3.071 1.00 0.00 C ATOM 285 CD PRO A 21 -2.909 -12.363 2.750 1.00 0.00 C ATOM 0 HA PRO A 21 -3.258 -10.721 5.544 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.499 -12.197 4.823 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.022 -10.785 3.901 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.499 -13.693 3.317 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.991 -12.421 2.216 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.402 -13.251 2.373 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.809 -11.591 1.987 1.00 0.00 H new ATOM 293 N LEU A 22 -4.122 -12.436 7.225 1.00 0.00 N ATOM 294 CA LEU A 22 -4.202 -13.348 8.361 1.00 0.00 C ATOM 295 C LEU A 22 -5.653 -13.587 8.767 1.00 0.00 C ATOM 296 O LEU A 22 -6.265 -12.757 9.439 1.00 0.00 O ATOM 297 CB LEU A 22 -3.415 -12.789 9.547 1.00 0.00 C ATOM 298 CG LEU A 22 -2.834 -13.821 10.514 1.00 0.00 C ATOM 299 CD1 LEU A 22 -2.084 -13.131 11.643 1.00 0.00 C ATOM 300 CD2 LEU A 22 -3.937 -14.710 11.070 1.00 0.00 C ATOM 0 H LEU A 22 -4.670 -11.582 7.331 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.766 -14.301 8.060 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.596 -12.182 9.160 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.069 -12.122 10.109 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.130 -14.448 9.967 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.677 -13.881 12.321 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.270 -12.537 11.229 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.767 -12.480 12.189 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.506 -15.439 11.756 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.665 -14.097 11.602 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.431 -15.232 10.251 1.00 0.00 H new ATOM 312 N VAL A 23 -6.198 -14.728 8.355 1.00 0.00 N ATOM 313 CA VAL A 23 -7.575 -15.078 8.678 1.00 0.00 C ATOM 314 C VAL A 23 -7.642 -16.388 9.455 1.00 0.00 C ATOM 315 O VAL A 23 -8.416 -16.521 10.402 1.00 0.00 O ATOM 316 CB VAL A 23 -8.436 -15.204 7.406 1.00 0.00 C ATOM 317 CG1 VAL A 23 -8.503 -13.873 6.673 1.00 0.00 C ATOM 318 CG2 VAL A 23 -7.888 -16.295 6.499 1.00 0.00 C ATOM 0 H VAL A 23 -5.706 -15.425 7.797 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.969 -14.272 9.296 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.449 -15.481 7.699 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.115 -13.981 5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.945 -13.120 7.326 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.497 -13.563 6.390 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.508 -16.371 5.606 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.866 -16.050 6.212 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.897 -17.247 7.029 1.00 0.00 H new ATOM 328 N ASN A 24 -6.824 -17.353 9.048 1.00 0.00 N ATOM 329 CA ASN A 24 -6.790 -18.654 9.707 1.00 0.00 C ATOM 330 C ASN A 24 -6.173 -18.543 11.098 1.00 0.00 C ATOM 331 O ASN A 24 -6.059 -19.534 11.818 1.00 0.00 O ATOM 332 CB ASN A 24 -5.998 -19.655 8.863 1.00 0.00 C ATOM 333 CG ASN A 24 -6.279 -21.092 9.256 1.00 0.00 C ATOM 334 OD1 ASN A 24 -5.408 -21.786 9.781 1.00 0.00 O ATOM 335 ND2 ASN A 24 -7.501 -21.546 9.003 1.00 0.00 N ATOM 0 H ASN A 24 -6.176 -17.259 8.266 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.816 -19.008 9.812 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.245 -19.514 7.811 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.932 -19.454 8.970 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.749 -22.505 9.245 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.192 -20.935 8.566 1.00 0.00 H new ATOM 342 N GLY A 25 -5.776 -17.330 11.469 1.00 0.00 N ATOM 343 CA GLY A 25 -5.176 -17.112 12.772 1.00 0.00 C ATOM 344 C GLY A 25 -3.667 -17.263 12.748 1.00 0.00 C ATOM 345 O GLY A 25 -3.018 -17.244 13.794 1.00 0.00 O ATOM 0 H GLY A 25 -5.859 -16.494 10.890 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.433 -16.113 13.124 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.598 -17.820 13.486 1.00 0.00 H new ATOM 349 N VAL A 26 -3.108 -17.417 11.552 1.00 0.00 N ATOM 350 CA VAL A 26 -1.667 -17.573 11.397 1.00 0.00 C ATOM 351 C VAL A 26 -1.218 -17.172 9.996 1.00 0.00 C ATOM 352 O VAL A 26 -1.586 -17.809 9.009 1.00 0.00 O ATOM 353 CB VAL A 26 -1.227 -19.025 11.668 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.027 -19.994 10.810 1.00 0.00 C ATOM 355 CG2 VAL A 26 0.265 -19.184 11.418 1.00 0.00 C ATOM 0 H VAL A 26 -3.631 -17.437 10.677 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.197 -16.915 12.129 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.423 -19.257 12.715 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.703 -21.014 11.015 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.087 -19.897 11.043 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.865 -19.766 9.756 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.559 -20.215 11.614 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.489 -18.934 10.381 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.818 -18.517 12.080 1.00 0.00 H new ATOM 365 N ARG A 27 -0.422 -16.111 9.918 1.00 0.00 N ATOM 366 CA ARG A 27 0.076 -15.623 8.637 1.00 0.00 C ATOM 367 C ARG A 27 1.019 -16.638 7.998 1.00 0.00 C ATOM 368 O ARG A 27 1.762 -17.331 8.692 1.00 0.00 O ATOM 369 CB ARG A 27 0.799 -14.287 8.823 1.00 0.00 C ATOM 370 CG ARG A 27 -0.112 -13.078 8.683 1.00 0.00 C ATOM 371 CD ARG A 27 0.684 -11.783 8.639 1.00 0.00 C ATOM 372 NE ARG A 27 1.613 -11.749 7.513 1.00 0.00 N ATOM 373 CZ ARG A 27 2.134 -10.630 7.023 1.00 0.00 C ATOM 374 NH1 ARG A 27 1.820 -9.459 7.559 1.00 0.00 N ATOM 375 NH2 ARG A 27 2.973 -10.681 5.996 1.00 0.00 N ATOM 0 H ARG A 27 -0.108 -15.573 10.726 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.778 -15.478 7.975 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.264 -14.269 9.809 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.602 -14.213 8.090 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.706 -13.172 7.774 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.811 -13.049 9.519 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.002 -10.938 8.569 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.239 -11.667 9.570 1.00 0.00 H new ATOM 0 HE ARG A 27 1.876 -12.634 7.079 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.177 -9.416 8.350 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.221 -8.601 7.181 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.218 -11.580 5.582 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.372 -9.821 5.621 1.00 0.00 H new ATOM 389 N GLU A 28 0.981 -16.720 6.672 1.00 0.00 N ATOM 390 CA GLU A 28 1.831 -17.652 5.940 1.00 0.00 C ATOM 391 C GLU A 28 1.683 -17.456 4.434 1.00 0.00 C ATOM 392 O GLU A 28 0.570 -17.412 3.909 1.00 0.00 O ATOM 393 CB GLU A 28 1.485 -19.095 6.315 1.00 0.00 C ATOM 394 CG GLU A 28 0.060 -19.489 5.964 1.00 0.00 C ATOM 395 CD GLU A 28 -0.305 -20.870 6.473 1.00 0.00 C ATOM 396 OE1 GLU A 28 -0.696 -20.983 7.654 1.00 0.00 O ATOM 397 OE2 GLU A 28 -0.200 -21.837 5.690 1.00 0.00 O ATOM 0 H GLU A 28 0.371 -16.153 6.083 1.00 0.00 H new ATOM 0 HA GLU A 28 2.867 -17.452 6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.175 -19.769 5.807 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.637 -19.230 7.386 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.630 -18.757 6.384 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.065 -19.460 4.882 1.00 0.00 H new ATOM 404 N PHE A 29 2.813 -17.339 3.745 1.00 0.00 N ATOM 405 CA PHE A 29 2.810 -17.147 2.299 1.00 0.00 C ATOM 406 C PHE A 29 2.182 -18.345 1.592 1.00 0.00 C ATOM 407 O PHE A 29 1.798 -19.324 2.230 1.00 0.00 O ATOM 408 CB PHE A 29 4.236 -16.929 1.789 1.00 0.00 C ATOM 409 CG PHE A 29 4.941 -15.780 2.453 1.00 0.00 C ATOM 410 CD1 PHE A 29 5.598 -15.957 3.659 1.00 0.00 C ATOM 411 CD2 PHE A 29 4.946 -14.523 1.869 1.00 0.00 C ATOM 412 CE1 PHE A 29 6.246 -14.902 4.272 1.00 0.00 C ATOM 413 CE2 PHE A 29 5.593 -13.464 2.477 1.00 0.00 C ATOM 414 CZ PHE A 29 6.245 -13.654 3.680 1.00 0.00 C ATOM 0 H PHE A 29 3.742 -17.374 4.164 1.00 0.00 H new ATOM 0 HA PHE A 29 2.213 -16.263 2.076 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.813 -17.840 1.948 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.206 -16.754 0.714 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.604 -16.931 4.126 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.439 -14.369 0.928 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.753 -15.053 5.214 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.589 -12.489 2.012 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.753 -12.829 4.157 1.00 0.00 H new ATOM 424 N SER A 30 2.083 -18.258 0.269 1.00 0.00 N ATOM 425 CA SER A 30 1.498 -19.332 -0.525 1.00 0.00 C ATOM 426 C SER A 30 2.533 -19.931 -1.473 1.00 0.00 C ATOM 427 O SER A 30 3.544 -19.302 -1.782 1.00 0.00 O ATOM 428 CB SER A 30 0.301 -18.811 -1.322 1.00 0.00 C ATOM 429 OG SER A 30 -0.328 -19.859 -2.041 1.00 0.00 O ATOM 0 H SER A 30 2.400 -17.456 -0.275 1.00 0.00 H new ATOM 0 HA SER A 30 1.160 -20.113 0.156 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.417 -18.348 -0.645 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.631 -18.037 -2.015 1.00 0.00 H new ATOM 0 HG SER A 30 -1.091 -19.501 -2.541 1.00 0.00 H new ATOM 435 N GLU A 31 2.271 -21.152 -1.929 1.00 0.00 N ATOM 436 CA GLU A 31 3.179 -21.838 -2.840 1.00 0.00 C ATOM 437 C GLU A 31 3.541 -20.943 -4.023 1.00 0.00 C ATOM 438 O GLU A 31 4.532 -21.181 -4.714 1.00 0.00 O ATOM 439 CB GLU A 31 2.548 -23.137 -3.344 1.00 0.00 C ATOM 440 CG GLU A 31 1.258 -22.926 -4.120 1.00 0.00 C ATOM 441 CD GLU A 31 0.383 -24.164 -4.143 1.00 0.00 C ATOM 442 OE1 GLU A 31 0.146 -24.745 -3.063 1.00 0.00 O ATOM 443 OE2 GLU A 31 -0.067 -24.552 -5.242 1.00 0.00 O ATOM 0 H GLU A 31 1.438 -21.686 -1.682 1.00 0.00 H new ATOM 0 HA GLU A 31 4.091 -22.075 -2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.264 -23.656 -3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.348 -23.788 -2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.702 -22.101 -3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.497 -22.635 -5.143 1.00 0.00 H new ATOM 450 N ILE A 32 2.730 -19.915 -4.249 1.00 0.00 N ATOM 451 CA ILE A 32 2.965 -18.985 -5.347 1.00 0.00 C ATOM 452 C ILE A 32 3.901 -17.859 -4.923 1.00 0.00 C ATOM 453 O ILE A 32 4.918 -17.609 -5.569 1.00 0.00 O ATOM 454 CB ILE A 32 1.646 -18.376 -5.859 1.00 0.00 C ATOM 455 CG1 ILE A 32 0.716 -19.477 -6.372 1.00 0.00 C ATOM 456 CG2 ILE A 32 1.924 -17.357 -6.955 1.00 0.00 C ATOM 457 CD1 ILE A 32 1.268 -20.229 -7.563 1.00 0.00 C ATOM 0 H ILE A 32 1.905 -19.705 -3.687 1.00 0.00 H new ATOM 0 HA ILE A 32 3.429 -19.556 -6.151 1.00 0.00 H new ATOM 0 HB ILE A 32 1.153 -17.866 -5.032 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.523 -20.183 -5.565 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.242 -19.034 -6.644 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.983 -16.935 -7.307 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.553 -16.560 -6.559 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.435 -17.845 -7.785 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.556 -20.994 -7.872 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.435 -19.534 -8.386 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.212 -20.701 -7.290 1.00 0.00 H new ATOM 469 N GLN A 33 3.551 -17.184 -3.832 1.00 0.00 N ATOM 470 CA GLN A 33 4.361 -16.085 -3.321 1.00 0.00 C ATOM 471 C GLN A 33 5.796 -16.538 -3.070 1.00 0.00 C ATOM 472 O GLN A 33 6.749 -15.862 -3.459 1.00 0.00 O ATOM 473 CB GLN A 33 3.754 -15.533 -2.030 1.00 0.00 C ATOM 474 CG GLN A 33 2.349 -14.981 -2.206 1.00 0.00 C ATOM 475 CD GLN A 33 1.672 -14.676 -0.885 1.00 0.00 C ATOM 476 OE1 GLN A 33 2.272 -14.817 0.181 1.00 0.00 O ATOM 477 NE2 GLN A 33 0.414 -14.255 -0.947 1.00 0.00 N ATOM 0 H GLN A 33 2.712 -17.379 -3.286 1.00 0.00 H new ATOM 0 HA GLN A 33 4.375 -15.296 -4.073 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.733 -16.324 -1.281 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.399 -14.744 -1.643 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.392 -14.072 -2.806 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.747 -15.701 -2.761 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.045 -14.152 -1.852 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.093 -14.034 -0.090 1.00 0.00 H new ATOM 486 N LEU A 34 5.943 -17.685 -2.416 1.00 0.00 N ATOM 487 CA LEU A 34 7.262 -18.228 -2.111 1.00 0.00 C ATOM 488 C LEU A 34 8.161 -18.197 -3.343 1.00 0.00 C ATOM 489 O LEU A 34 9.160 -17.478 -3.376 1.00 0.00 O ATOM 490 CB LEU A 34 7.137 -19.662 -1.593 1.00 0.00 C ATOM 491 CG LEU A 34 6.150 -19.878 -0.446 1.00 0.00 C ATOM 492 CD1 LEU A 34 5.535 -21.267 -0.525 1.00 0.00 C ATOM 493 CD2 LEU A 34 6.838 -19.673 0.896 1.00 0.00 C ATOM 0 H LEU A 34 5.165 -18.257 -2.087 1.00 0.00 H new ATOM 0 HA LEU A 34 7.714 -17.607 -1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.843 -20.303 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.122 -19.996 -1.266 1.00 0.00 H new ATOM 0 HG LEU A 34 5.350 -19.143 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.835 -21.402 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.006 -21.377 -1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.322 -22.018 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.120 -19.831 1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.658 -20.384 0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.229 -18.657 0.953 1.00 0.00 H new ATOM 505 N SER A 35 7.799 -18.979 -4.354 1.00 0.00 N ATOM 506 CA SER A 35 8.574 -19.042 -5.588 1.00 0.00 C ATOM 507 C SER A 35 9.119 -17.666 -5.957 1.00 0.00 C ATOM 508 O SER A 35 10.179 -17.551 -6.574 1.00 0.00 O ATOM 509 CB SER A 35 7.712 -19.585 -6.730 1.00 0.00 C ATOM 510 OG SER A 35 8.516 -20.130 -7.761 1.00 0.00 O ATOM 0 H SER A 35 6.974 -19.578 -4.343 1.00 0.00 H new ATOM 0 HA SER A 35 9.415 -19.716 -5.426 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.037 -20.351 -6.348 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.091 -18.785 -7.133 1.00 0.00 H new ATOM 0 HG SER A 35 7.942 -20.471 -8.478 1.00 0.00 H new ATOM 516 N ARG A 36 8.387 -16.624 -5.576 1.00 0.00 N ATOM 517 CA ARG A 36 8.796 -15.255 -5.868 1.00 0.00 C ATOM 518 C ARG A 36 9.862 -14.785 -4.883 1.00 0.00 C ATOM 519 O ARG A 36 10.849 -14.158 -5.272 1.00 0.00 O ATOM 520 CB ARG A 36 7.588 -14.318 -5.815 1.00 0.00 C ATOM 521 CG ARG A 36 6.290 -14.972 -6.257 1.00 0.00 C ATOM 522 CD ARG A 36 6.449 -15.678 -7.595 1.00 0.00 C ATOM 523 NE ARG A 36 6.794 -14.748 -8.666 1.00 0.00 N ATOM 524 CZ ARG A 36 5.912 -13.957 -9.266 1.00 0.00 C ATOM 525 NH1 ARG A 36 4.638 -13.982 -8.901 1.00 0.00 N ATOM 526 NH2 ARG A 36 6.304 -13.137 -10.234 1.00 0.00 N ATOM 0 H ARG A 36 7.508 -16.702 -5.065 1.00 0.00 H new ATOM 0 HA ARG A 36 9.220 -15.234 -6.872 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.470 -13.948 -4.796 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.783 -13.452 -6.448 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.967 -15.689 -5.502 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.508 -14.216 -6.334 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.224 -16.440 -7.513 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.521 -16.192 -7.846 1.00 0.00 H new ATOM 0 HE ARG A 36 7.766 -14.703 -8.970 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.333 -14.610 -8.157 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.963 -13.373 -9.364 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.284 -13.114 -10.518 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.626 -12.530 -10.694 1.00 0.00 H new ATOM 540 N LEU A 37 9.658 -15.091 -3.606 1.00 0.00 N ATOM 541 CA LEU A 37 10.601 -14.699 -2.565 1.00 0.00 C ATOM 542 C LEU A 37 11.950 -15.382 -2.767 1.00 0.00 C ATOM 543 O LEU A 37 13.000 -14.799 -2.497 1.00 0.00 O ATOM 544 CB LEU A 37 10.041 -15.048 -1.185 1.00 0.00 C ATOM 545 CG LEU A 37 8.971 -14.104 -0.636 1.00 0.00 C ATOM 546 CD1 LEU A 37 8.482 -14.583 0.722 1.00 0.00 C ATOM 547 CD2 LEU A 37 9.511 -12.684 -0.540 1.00 0.00 C ATOM 0 H LEU A 37 8.848 -15.609 -3.267 1.00 0.00 H new ATOM 0 HA LEU A 37 10.748 -13.621 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.622 -16.053 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.869 -15.078 -0.476 1.00 0.00 H new ATOM 0 HG LEU A 37 8.126 -14.104 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.721 -13.899 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.056 -15.581 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.319 -14.613 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.736 -12.026 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.373 -12.667 0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.811 -12.341 -1.530 1.00 0.00 H new ATOM 559 N LYS A 38 11.914 -16.621 -3.245 1.00 0.00 N ATOM 560 CA LYS A 38 13.132 -17.384 -3.488 1.00 0.00 C ATOM 561 C LYS A 38 13.884 -16.839 -4.698 1.00 0.00 C ATOM 562 O LYS A 38 15.102 -16.660 -4.657 1.00 0.00 O ATOM 563 CB LYS A 38 12.799 -18.862 -3.705 1.00 0.00 C ATOM 564 CG LYS A 38 12.758 -19.671 -2.420 1.00 0.00 C ATOM 565 CD LYS A 38 12.716 -21.163 -2.702 1.00 0.00 C ATOM 566 CE LYS A 38 14.112 -21.731 -2.909 1.00 0.00 C ATOM 567 NZ LYS A 38 14.086 -23.207 -3.106 1.00 0.00 N ATOM 0 H LYS A 38 11.053 -17.119 -3.472 1.00 0.00 H new ATOM 0 HA LYS A 38 13.772 -17.287 -2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.833 -18.939 -4.204 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.539 -19.298 -4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.634 -19.439 -1.815 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.883 -19.385 -1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.232 -21.678 -1.872 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.111 -21.350 -3.589 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.572 -21.257 -3.776 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.734 -21.490 -2.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.056 -23.556 -3.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.670 -23.662 -2.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.514 -23.435 -3.944 1.00 0.00 H new ATOM 581 N LYS A 39 13.151 -16.574 -5.774 1.00 0.00 N ATOM 582 CA LYS A 39 13.747 -16.046 -6.995 1.00 0.00 C ATOM 583 C LYS A 39 14.611 -14.825 -6.695 1.00 0.00 C ATOM 584 O LYS A 39 15.739 -14.716 -7.180 1.00 0.00 O ATOM 585 CB LYS A 39 12.655 -15.676 -8.001 1.00 0.00 C ATOM 586 CG LYS A 39 12.145 -16.858 -8.808 1.00 0.00 C ATOM 587 CD LYS A 39 10.693 -16.670 -9.215 1.00 0.00 C ATOM 588 CE LYS A 39 10.561 -15.700 -10.378 1.00 0.00 C ATOM 589 NZ LYS A 39 10.470 -14.287 -9.915 1.00 0.00 N ATOM 0 H LYS A 39 12.142 -16.716 -5.825 1.00 0.00 H new ATOM 0 HA LYS A 39 14.381 -16.821 -7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.819 -15.224 -7.467 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.043 -14.921 -8.684 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.760 -16.984 -9.699 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.244 -17.771 -8.220 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.264 -17.633 -9.493 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.121 -16.300 -8.364 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.419 -15.810 -11.042 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.674 -15.949 -10.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.005 -13.711 -10.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.916 -14.245 -9.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.426 -13.917 -9.739 1.00 0.00 H new ATOM 603 N LEU A 40 14.077 -13.910 -5.894 1.00 0.00 N ATOM 604 CA LEU A 40 14.801 -12.698 -5.528 1.00 0.00 C ATOM 605 C LEU A 40 16.062 -13.033 -4.738 1.00 0.00 C ATOM 606 O LEU A 40 17.070 -12.335 -4.833 1.00 0.00 O ATOM 607 CB LEU A 40 13.902 -11.772 -4.706 1.00 0.00 C ATOM 608 CG LEU A 40 12.587 -11.355 -5.365 1.00 0.00 C ATOM 609 CD1 LEU A 40 11.585 -10.897 -4.316 1.00 0.00 C ATOM 610 CD2 LEU A 40 12.829 -10.255 -6.389 1.00 0.00 C ATOM 0 H LEU A 40 13.145 -13.984 -5.486 1.00 0.00 H new ATOM 0 HA LEU A 40 15.095 -12.189 -6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.672 -12.266 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.466 -10.871 -4.465 1.00 0.00 H new ATOM 0 HG LEU A 40 12.172 -12.220 -5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.655 -10.604 -4.804 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.388 -11.713 -3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.992 -10.045 -3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.882 -9.971 -6.848 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.268 -9.388 -5.895 1.00 0.00 H new ATOM 0 HD23 LEU A 40 13.511 -10.618 -7.158 1.00 0.00 H new ATOM 622 N GLY A 41 15.998 -14.109 -3.959 1.00 0.00 N ATOM 623 CA GLY A 41 17.141 -14.520 -3.166 1.00 0.00 C ATOM 624 C GLY A 41 16.866 -14.460 -1.676 1.00 0.00 C ATOM 625 O GLY A 41 17.790 -14.514 -0.865 1.00 0.00 O ATOM 0 H GLY A 41 15.174 -14.703 -3.863 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.422 -15.537 -3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 41 17.991 -13.880 -3.401 1.00 0.00 H new ATOM 629 N ILE A 42 15.592 -14.345 -1.316 1.00 0.00 N ATOM 630 CA ILE A 42 15.198 -14.277 0.085 1.00 0.00 C ATOM 631 C ILE A 42 14.874 -15.662 0.634 1.00 0.00 C ATOM 632 O ILE A 42 13.862 -16.264 0.273 1.00 0.00 O ATOM 633 CB ILE A 42 13.976 -13.361 0.283 1.00 0.00 C ATOM 634 CG1 ILE A 42 14.335 -11.914 -0.063 1.00 0.00 C ATOM 635 CG2 ILE A 42 13.466 -13.458 1.713 1.00 0.00 C ATOM 636 CD1 ILE A 42 13.130 -11.009 -0.199 1.00 0.00 C ATOM 0 H ILE A 42 14.815 -14.297 -1.976 1.00 0.00 H new ATOM 0 HA ILE A 42 16.046 -13.862 0.630 1.00 0.00 H new ATOM 0 HB ILE A 42 13.182 -13.690 -0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 42 14.993 -11.516 0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 42 14.897 -11.901 -0.997 1.00 0.00 H new ATOM 0 HG21 ILE A 42 12.602 -12.805 1.836 1.00 0.00 H new ATOM 0 HG22 ILE A 42 13.176 -14.487 1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.254 -13.152 2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.459 -9.999 -0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 42 12.482 -11.383 -0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 42 12.580 -10.992 0.742 1.00 0.00 H new ATOM 648 N HIS A 43 15.740 -16.163 1.510 1.00 0.00 N ATOM 649 CA HIS A 43 15.545 -17.478 2.111 1.00 0.00 C ATOM 650 C HIS A 43 14.695 -17.377 3.374 1.00 0.00 C ATOM 651 O HIS A 43 15.065 -17.898 4.427 1.00 0.00 O ATOM 652 CB HIS A 43 16.894 -18.117 2.440 1.00 0.00 C ATOM 653 CG HIS A 43 17.454 -18.943 1.322 1.00 0.00 C ATOM 654 ND1 HIS A 43 16.669 -19.704 0.483 1.00 0.00 N ATOM 655 CD2 HIS A 43 18.730 -19.122 0.907 1.00 0.00 C ATOM 656 CE1 HIS A 43 17.438 -20.318 -0.399 1.00 0.00 C ATOM 657 NE2 HIS A 43 18.693 -19.981 -0.164 1.00 0.00 N ATOM 0 H HIS A 43 16.583 -15.679 1.819 1.00 0.00 H new ATOM 0 HA HIS A 43 15.021 -18.106 1.390 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.607 -17.332 2.693 1.00 0.00 H new ATOM 0 HB3 HIS A 43 16.784 -18.744 3.324 1.00 0.00 H new ATOM 0 HD2 HIS A 43 19.613 -18.673 1.338 1.00 0.00 H new ATOM 0 HE1 HIS A 43 17.098 -20.983 -1.179 1.00 0.00 H new ATOM 0 HE2 HIS A 43 19.503 -20.306 -0.692 1.00 0.00 H new ATOM 666 N LYS A 44 13.556 -16.703 3.262 1.00 0.00 N ATOM 667 CA LYS A 44 12.652 -16.534 4.394 1.00 0.00 C ATOM 668 C LYS A 44 11.276 -17.113 4.084 1.00 0.00 C ATOM 669 O LYS A 44 10.773 -16.982 2.967 1.00 0.00 O ATOM 670 CB LYS A 44 12.524 -15.052 4.754 1.00 0.00 C ATOM 671 CG LYS A 44 13.656 -14.537 5.626 1.00 0.00 C ATOM 672 CD LYS A 44 13.934 -13.066 5.368 1.00 0.00 C ATOM 673 CE LYS A 44 15.186 -12.599 6.096 1.00 0.00 C ATOM 674 NZ LYS A 44 15.105 -11.160 6.471 1.00 0.00 N ATOM 0 H LYS A 44 13.236 -16.264 2.398 1.00 0.00 H new ATOM 0 HA LYS A 44 13.070 -17.074 5.244 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.488 -14.466 3.836 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.578 -14.893 5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.402 -14.681 6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.558 -15.118 5.433 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.051 -12.899 4.297 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.080 -12.471 5.692 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.330 -13.201 6.993 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.057 -12.760 5.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.911 -10.914 7.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.130 -10.575 5.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.217 -10.984 6.984 1.00 0.00 H new ATOM 688 N THR A 45 10.670 -17.754 5.079 1.00 0.00 N ATOM 689 CA THR A 45 9.352 -18.353 4.912 1.00 0.00 C ATOM 690 C THR A 45 8.317 -17.656 5.787 1.00 0.00 C ATOM 691 O THR A 45 7.118 -17.708 5.509 1.00 0.00 O ATOM 692 CB THR A 45 9.370 -19.854 5.254 1.00 0.00 C ATOM 693 OG1 THR A 45 9.960 -20.056 6.543 1.00 0.00 O ATOM 694 CG2 THR A 45 10.146 -20.639 4.207 1.00 0.00 C ATOM 0 H THR A 45 11.072 -17.871 6.009 1.00 0.00 H new ATOM 0 HA THR A 45 9.079 -18.230 3.864 1.00 0.00 H new ATOM 0 HB THR A 45 8.341 -20.213 5.265 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.966 -21.013 6.754 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.145 -21.697 4.470 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.677 -20.507 3.232 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.173 -20.276 4.168 1.00 0.00 H new ATOM 702 N ASP A 46 8.786 -17.003 6.845 1.00 0.00 N ATOM 703 CA ASP A 46 7.900 -16.294 7.760 1.00 0.00 C ATOM 704 C ASP A 46 7.917 -14.794 7.481 1.00 0.00 C ATOM 705 O ASP A 46 8.961 -14.201 7.208 1.00 0.00 O ATOM 706 CB ASP A 46 8.310 -16.560 9.210 1.00 0.00 C ATOM 707 CG ASP A 46 7.722 -17.849 9.750 1.00 0.00 C ATOM 708 OD1 ASP A 46 6.529 -18.110 9.492 1.00 0.00 O ATOM 709 OD2 ASP A 46 8.455 -18.596 10.432 1.00 0.00 O ATOM 0 H ASP A 46 9.775 -16.950 7.090 1.00 0.00 H new ATOM 0 HA ASP A 46 6.886 -16.663 7.603 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.397 -16.605 9.275 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.987 -15.727 9.835 1.00 0.00 H new ATOM 714 N PRO A 47 6.735 -14.165 7.550 1.00 0.00 N ATOM 715 CA PRO A 47 6.588 -12.727 7.307 1.00 0.00 C ATOM 716 C PRO A 47 7.211 -11.885 8.415 1.00 0.00 C ATOM 717 O PRO A 47 7.576 -10.730 8.200 1.00 0.00 O ATOM 718 CB PRO A 47 5.071 -12.526 7.272 1.00 0.00 C ATOM 719 CG PRO A 47 4.522 -13.646 8.086 1.00 0.00 C ATOM 720 CD PRO A 47 5.450 -14.809 7.871 1.00 0.00 C ATOM 0 HA PRO A 47 7.094 -12.415 6.394 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.790 -11.559 7.689 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.691 -12.555 6.251 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.474 -13.375 9.141 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.507 -13.894 7.774 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.525 -15.433 8.761 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.108 -15.451 7.059 1.00 0.00 H new ATOM 728 N SER A 48 7.330 -12.472 9.602 1.00 0.00 N ATOM 729 CA SER A 48 7.906 -11.774 10.746 1.00 0.00 C ATOM 730 C SER A 48 9.414 -11.611 10.579 1.00 0.00 C ATOM 731 O SER A 48 10.013 -10.681 11.119 1.00 0.00 O ATOM 732 CB SER A 48 7.604 -12.535 12.039 1.00 0.00 C ATOM 733 OG SER A 48 6.214 -12.769 12.180 1.00 0.00 O ATOM 0 H SER A 48 7.035 -13.429 9.797 1.00 0.00 H new ATOM 0 HA SER A 48 7.455 -10.783 10.802 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.138 -13.485 12.038 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.969 -11.965 12.894 1.00 0.00 H new ATOM 0 HG SER A 48 6.047 -13.258 13.013 1.00 0.00 H new ATOM 739 N THR A 49 10.022 -12.522 9.826 1.00 0.00 N ATOM 740 CA THR A 49 11.459 -12.481 9.588 1.00 0.00 C ATOM 741 C THR A 49 11.788 -11.660 8.346 1.00 0.00 C ATOM 742 O THR A 49 12.875 -11.780 7.779 1.00 0.00 O ATOM 743 CB THR A 49 12.042 -13.897 9.422 1.00 0.00 C ATOM 744 OG1 THR A 49 11.504 -14.514 8.247 1.00 0.00 O ATOM 745 CG2 THR A 49 11.732 -14.756 10.639 1.00 0.00 C ATOM 0 H THR A 49 9.541 -13.298 9.370 1.00 0.00 H new ATOM 0 HA THR A 49 11.910 -12.010 10.462 1.00 0.00 H new ATOM 0 HB THR A 49 13.124 -13.811 9.324 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.600 -14.174 8.084 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.154 -15.751 10.499 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.168 -14.299 11.527 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.652 -14.834 10.764 1.00 0.00 H new ATOM 753 N LEU A 50 10.842 -10.826 7.927 1.00 0.00 N ATOM 754 CA LEU A 50 11.032 -9.984 6.751 1.00 0.00 C ATOM 755 C LEU A 50 11.424 -8.566 7.154 1.00 0.00 C ATOM 756 O LEU A 50 11.025 -8.076 8.212 1.00 0.00 O ATOM 757 CB LEU A 50 9.754 -9.952 5.911 1.00 0.00 C ATOM 758 CG LEU A 50 9.602 -11.069 4.878 1.00 0.00 C ATOM 759 CD1 LEU A 50 10.336 -10.713 3.594 1.00 0.00 C ATOM 760 CD2 LEU A 50 10.114 -12.388 5.439 1.00 0.00 C ATOM 0 H LEU A 50 9.937 -10.715 8.384 1.00 0.00 H new ATOM 0 HA LEU A 50 11.840 -10.410 6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.899 -9.989 6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.709 -8.995 5.391 1.00 0.00 H new ATOM 0 HG LEU A 50 8.543 -11.182 4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.216 -11.520 2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.923 -9.792 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.395 -10.571 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.998 -13.171 4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.168 -12.288 5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.544 -12.650 6.330 1.00 0.00 H new ATOM 772 N THR A 51 12.206 -7.909 6.303 1.00 0.00 N ATOM 773 CA THR A 51 12.651 -6.547 6.570 1.00 0.00 C ATOM 774 C THR A 51 12.129 -5.581 5.513 1.00 0.00 C ATOM 775 O THR A 51 11.915 -5.962 4.363 1.00 0.00 O ATOM 776 CB THR A 51 14.189 -6.457 6.616 1.00 0.00 C ATOM 777 OG1 THR A 51 14.611 -5.125 6.304 1.00 0.00 O ATOM 778 CG2 THR A 51 14.817 -7.437 5.636 1.00 0.00 C ATOM 0 H THR A 51 12.544 -8.298 5.423 1.00 0.00 H new ATOM 0 HA THR A 51 12.248 -6.268 7.544 1.00 0.00 H new ATOM 0 HB THR A 51 14.517 -6.714 7.623 1.00 0.00 H new ATOM 0 HG1 THR A 51 15.589 -5.076 6.337 1.00 0.00 H new ATOM 0 HG21 THR A 51 15.903 -7.356 5.686 1.00 0.00 H new ATOM 0 HG22 THR A 51 14.517 -8.453 5.894 1.00 0.00 H new ATOM 0 HG23 THR A 51 14.482 -7.206 4.625 1.00 0.00 H new ATOM 786 N GLU A 52 11.926 -4.329 5.911 1.00 0.00 N ATOM 787 CA GLU A 52 11.428 -3.308 4.996 1.00 0.00 C ATOM 788 C GLU A 52 12.000 -3.508 3.595 1.00 0.00 C ATOM 789 O GLU A 52 11.266 -3.498 2.607 1.00 0.00 O ATOM 790 CB GLU A 52 11.786 -1.912 5.510 1.00 0.00 C ATOM 791 CG GLU A 52 10.878 -1.424 6.626 1.00 0.00 C ATOM 792 CD GLU A 52 10.838 0.088 6.727 1.00 0.00 C ATOM 793 OE1 GLU A 52 10.057 0.711 5.977 1.00 0.00 O ATOM 794 OE2 GLU A 52 11.587 0.649 7.553 1.00 0.00 O ATOM 0 H GLU A 52 12.098 -3.997 6.860 1.00 0.00 H new ATOM 0 HA GLU A 52 10.343 -3.401 4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.816 -1.918 5.867 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.741 -1.206 4.681 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.869 -1.800 6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.219 -1.839 7.574 1.00 0.00 H new ATOM 801 N GLU A 53 13.315 -3.689 3.519 1.00 0.00 N ATOM 802 CA GLU A 53 13.985 -3.890 2.239 1.00 0.00 C ATOM 803 C GLU A 53 13.295 -4.984 1.430 1.00 0.00 C ATOM 804 O GLU A 53 13.041 -4.821 0.237 1.00 0.00 O ATOM 805 CB GLU A 53 15.455 -4.252 2.460 1.00 0.00 C ATOM 806 CG GLU A 53 16.197 -4.590 1.177 1.00 0.00 C ATOM 807 CD GLU A 53 16.799 -3.367 0.513 1.00 0.00 C ATOM 808 OE1 GLU A 53 17.820 -2.857 1.020 1.00 0.00 O ATOM 809 OE2 GLU A 53 16.248 -2.920 -0.515 1.00 0.00 O ATOM 0 H GLU A 53 13.937 -3.701 4.327 1.00 0.00 H new ATOM 0 HA GLU A 53 13.929 -2.958 1.677 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.956 -3.418 2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.513 -5.103 3.139 1.00 0.00 H new ATOM 0 HG2 GLU A 53 16.989 -5.306 1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 53 15.512 -5.076 0.482 1.00 0.00 H new ATOM 816 N GLU A 54 12.996 -6.100 2.088 1.00 0.00 N ATOM 817 CA GLU A 54 12.337 -7.222 1.429 1.00 0.00 C ATOM 818 C GLU A 54 10.852 -6.937 1.224 1.00 0.00 C ATOM 819 O GLU A 54 10.340 -7.024 0.108 1.00 0.00 O ATOM 820 CB GLU A 54 12.514 -8.500 2.252 1.00 0.00 C ATOM 821 CG GLU A 54 13.944 -9.012 2.282 1.00 0.00 C ATOM 822 CD GLU A 54 14.179 -10.021 3.389 1.00 0.00 C ATOM 823 OE1 GLU A 54 13.234 -10.764 3.726 1.00 0.00 O ATOM 824 OE2 GLU A 54 15.309 -10.066 3.919 1.00 0.00 O ATOM 0 H GLU A 54 13.199 -6.251 3.076 1.00 0.00 H new ATOM 0 HA GLU A 54 12.800 -7.360 0.452 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.183 -8.313 3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.867 -9.277 1.844 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.182 -9.470 1.322 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.625 -8.171 2.412 1.00 0.00 H new ATOM 831 N VAL A 55 10.166 -6.595 2.310 1.00 0.00 N ATOM 832 CA VAL A 55 8.740 -6.297 2.250 1.00 0.00 C ATOM 833 C VAL A 55 8.408 -5.440 1.034 1.00 0.00 C ATOM 834 O VAL A 55 7.451 -5.716 0.310 1.00 0.00 O ATOM 835 CB VAL A 55 8.265 -5.568 3.522 1.00 0.00 C ATOM 836 CG1 VAL A 55 6.792 -5.205 3.411 1.00 0.00 C ATOM 837 CG2 VAL A 55 8.520 -6.425 4.753 1.00 0.00 C ATOM 0 H VAL A 55 10.574 -6.517 3.241 1.00 0.00 H new ATOM 0 HA VAL A 55 8.221 -7.252 2.171 1.00 0.00 H new ATOM 0 HB VAL A 55 8.835 -4.645 3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.475 -4.691 4.318 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.642 -4.551 2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.202 -6.113 3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.179 -5.895 5.642 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.977 -7.366 4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.587 -6.629 4.840 1.00 0.00 H new ATOM 847 N ARG A 56 9.205 -4.400 0.814 1.00 0.00 N ATOM 848 CA ARG A 56 8.996 -3.501 -0.315 1.00 0.00 C ATOM 849 C ARG A 56 9.323 -4.199 -1.632 1.00 0.00 C ATOM 850 O ARG A 56 8.691 -3.942 -2.657 1.00 0.00 O ATOM 851 CB ARG A 56 9.858 -2.247 -0.163 1.00 0.00 C ATOM 852 CG ARG A 56 11.336 -2.487 -0.427 1.00 0.00 C ATOM 853 CD ARG A 56 12.099 -1.178 -0.558 1.00 0.00 C ATOM 854 NE ARG A 56 12.100 -0.680 -1.931 1.00 0.00 N ATOM 855 CZ ARG A 56 12.962 0.223 -2.384 1.00 0.00 C ATOM 856 NH1 ARG A 56 13.888 0.723 -1.578 1.00 0.00 N ATOM 857 NH2 ARG A 56 12.900 0.626 -3.646 1.00 0.00 N ATOM 0 H ARG A 56 10.002 -4.159 1.403 1.00 0.00 H new ATOM 0 HA ARG A 56 7.945 -3.211 -0.327 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.495 -1.482 -0.849 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.737 -1.854 0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.761 -3.077 0.385 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.453 -3.071 -1.340 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.652 -0.431 0.098 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.126 -1.322 -0.224 1.00 0.00 H new ATOM 0 HE ARG A 56 11.401 -1.046 -2.577 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.940 0.414 -0.607 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.549 1.416 -1.929 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.190 0.242 -4.270 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.562 1.320 -3.993 1.00 0.00 H new ATOM 871 N LYS A 57 10.314 -5.083 -1.598 1.00 0.00 N ATOM 872 CA LYS A 57 10.725 -5.819 -2.787 1.00 0.00 C ATOM 873 C LYS A 57 9.646 -6.810 -3.214 1.00 0.00 C ATOM 874 O LYS A 57 9.137 -6.744 -4.333 1.00 0.00 O ATOM 875 CB LYS A 57 12.038 -6.560 -2.525 1.00 0.00 C ATOM 876 CG LYS A 57 13.274 -5.739 -2.846 1.00 0.00 C ATOM 877 CD LYS A 57 14.489 -6.624 -3.069 1.00 0.00 C ATOM 878 CE LYS A 57 14.935 -7.294 -1.778 1.00 0.00 C ATOM 879 NZ LYS A 57 16.230 -8.010 -1.944 1.00 0.00 N ATOM 0 H LYS A 57 10.848 -5.307 -0.758 1.00 0.00 H new ATOM 0 HA LYS A 57 10.875 -5.102 -3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.073 -6.860 -1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.055 -7.474 -3.119 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.092 -5.139 -3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.473 -5.045 -2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.254 -7.385 -3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.307 -6.026 -3.471 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.033 -6.543 -0.994 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.170 -7.998 -1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 16.500 -8.453 -1.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.130 -8.744 -2.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 16.966 -7.334 -2.231 1.00 0.00 H new ATOM 893 N PHE A 58 9.301 -7.726 -2.315 1.00 0.00 N ATOM 894 CA PHE A 58 8.282 -8.730 -2.599 1.00 0.00 C ATOM 895 C PHE A 58 7.076 -8.100 -3.288 1.00 0.00 C ATOM 896 O PHE A 58 6.513 -8.671 -4.222 1.00 0.00 O ATOM 897 CB PHE A 58 7.843 -9.420 -1.306 1.00 0.00 C ATOM 898 CG PHE A 58 6.707 -10.384 -1.498 1.00 0.00 C ATOM 899 CD1 PHE A 58 6.734 -11.312 -2.526 1.00 0.00 C ATOM 900 CD2 PHE A 58 5.611 -10.361 -0.650 1.00 0.00 C ATOM 901 CE1 PHE A 58 5.691 -12.201 -2.705 1.00 0.00 C ATOM 902 CE2 PHE A 58 4.564 -11.247 -0.824 1.00 0.00 C ATOM 903 CZ PHE A 58 4.604 -12.167 -1.853 1.00 0.00 C ATOM 0 H PHE A 58 9.712 -7.794 -1.384 1.00 0.00 H new ATOM 0 HA PHE A 58 8.714 -9.472 -3.270 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.694 -9.953 -0.881 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.547 -8.662 -0.581 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.581 -11.341 -3.196 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.574 -9.643 0.156 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.726 -12.921 -3.509 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.716 -11.220 -0.156 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.787 -12.859 -1.992 1.00 0.00 H new ATOM 913 N ALA A 59 6.684 -6.919 -2.820 1.00 0.00 N ATOM 914 CA ALA A 59 5.545 -6.211 -3.392 1.00 0.00 C ATOM 915 C ALA A 59 5.905 -5.589 -4.737 1.00 0.00 C ATOM 916 O ALA A 59 5.161 -5.716 -5.709 1.00 0.00 O ATOM 917 CB ALA A 59 5.051 -5.142 -2.429 1.00 0.00 C ATOM 0 H ALA A 59 7.138 -6.433 -2.047 1.00 0.00 H new ATOM 0 HA ALA A 59 4.745 -6.933 -3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.200 -4.621 -2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.746 -5.609 -1.492 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.852 -4.429 -2.235 1.00 0.00 H new ATOM 923 N ARG A 60 7.049 -4.915 -4.785 1.00 0.00 N ATOM 924 CA ARG A 60 7.506 -4.271 -6.010 1.00 0.00 C ATOM 925 C ARG A 60 7.149 -5.112 -7.232 1.00 0.00 C ATOM 926 O ARG A 60 6.679 -4.589 -8.244 1.00 0.00 O ATOM 927 CB ARG A 60 9.018 -4.043 -5.959 1.00 0.00 C ATOM 928 CG ARG A 60 9.413 -2.710 -5.345 1.00 0.00 C ATOM 929 CD ARG A 60 9.415 -1.598 -6.382 1.00 0.00 C ATOM 930 NE ARG A 60 9.954 -0.351 -5.845 1.00 0.00 N ATOM 931 CZ ARG A 60 9.280 0.447 -5.024 1.00 0.00 C ATOM 932 NH1 ARG A 60 8.050 0.129 -4.646 1.00 0.00 N ATOM 933 NH2 ARG A 60 9.838 1.565 -4.578 1.00 0.00 N ATOM 0 H ARG A 60 7.677 -4.801 -3.989 1.00 0.00 H new ATOM 0 HA ARG A 60 7.003 -3.308 -6.093 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.479 -4.848 -5.386 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.420 -4.101 -6.971 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.720 -2.459 -4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.403 -2.793 -4.897 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.006 -1.907 -7.244 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.398 -1.431 -6.736 1.00 0.00 H new ATOM 0 HE ARG A 60 10.899 -0.078 -6.115 1.00 0.00 H new ATOM 0 HH11 ARG A 60 7.618 -0.731 -4.986 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.535 0.744 -4.016 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.785 1.812 -4.865 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.320 2.177 -3.948 1.00 0.00 H new ATOM 947 N LEU A 61 7.374 -6.417 -7.132 1.00 0.00 N ATOM 948 CA LEU A 61 7.077 -7.332 -8.229 1.00 0.00 C ATOM 949 C LEU A 61 5.822 -6.894 -8.977 1.00 0.00 C ATOM 950 O LEU A 61 5.852 -6.681 -10.188 1.00 0.00 O ATOM 951 CB LEU A 61 6.897 -8.755 -7.697 1.00 0.00 C ATOM 952 CG LEU A 61 8.149 -9.420 -7.124 1.00 0.00 C ATOM 953 CD1 LEU A 61 7.768 -10.512 -6.136 1.00 0.00 C ATOM 954 CD2 LEU A 61 9.012 -9.987 -8.242 1.00 0.00 C ATOM 0 H LEU A 61 7.761 -6.866 -6.302 1.00 0.00 H new ATOM 0 HA LEU A 61 7.917 -7.314 -8.923 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.132 -8.737 -6.921 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.516 -9.379 -8.506 1.00 0.00 H new ATOM 0 HG LEU A 61 8.728 -8.664 -6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.671 -10.974 -5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.192 -10.078 -5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.167 -11.267 -6.642 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.898 -10.456 -7.815 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.442 -10.729 -8.801 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.315 -9.182 -8.912 1.00 0.00 H new ATOM 966 N ASN A 62 4.719 -6.761 -8.247 1.00 0.00 N ATOM 967 CA ASN A 62 3.454 -6.347 -8.841 1.00 0.00 C ATOM 968 C ASN A 62 3.078 -4.937 -8.394 1.00 0.00 C ATOM 969 O ASN A 62 2.857 -4.689 -7.209 1.00 0.00 O ATOM 970 CB ASN A 62 2.343 -7.327 -8.462 1.00 0.00 C ATOM 971 CG ASN A 62 1.244 -7.388 -9.505 1.00 0.00 C ATOM 972 OD1 ASN A 62 1.453 -7.031 -10.664 1.00 0.00 O ATOM 973 ND2 ASN A 62 0.065 -7.843 -9.096 1.00 0.00 N ATOM 0 H ASN A 62 4.676 -6.934 -7.243 1.00 0.00 H new ATOM 0 HA ASN A 62 3.574 -6.346 -9.924 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.769 -8.321 -8.329 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.915 -7.033 -7.504 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.713 -7.907 -9.753 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.063 -8.128 -8.125 1.00 0.00 H new ATOM 980 N ILE A 63 3.008 -4.018 -9.351 1.00 0.00 N ATOM 981 CA ILE A 63 2.657 -2.634 -9.056 1.00 0.00 C ATOM 982 C ILE A 63 1.285 -2.282 -9.621 1.00 0.00 C ATOM 983 O ILE A 63 1.063 -2.356 -10.830 1.00 0.00 O ATOM 984 CB ILE A 63 3.701 -1.655 -9.626 1.00 0.00 C ATOM 985 CG1 ILE A 63 5.085 -1.960 -9.049 1.00 0.00 C ATOM 986 CG2 ILE A 63 3.300 -0.219 -9.325 1.00 0.00 C ATOM 987 CD1 ILE A 63 6.209 -1.246 -9.768 1.00 0.00 C ATOM 0 H ILE A 63 3.190 -4.206 -10.337 1.00 0.00 H new ATOM 0 HA ILE A 63 2.635 -2.538 -7.970 1.00 0.00 H new ATOM 0 HB ILE A 63 3.743 -1.780 -10.708 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.101 -1.679 -7.996 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.260 -3.035 -9.094 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.047 0.461 -9.734 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.331 -0.009 -9.779 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.233 -0.078 -8.246 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.161 -1.508 -9.306 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.219 -1.546 -10.816 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.058 -0.169 -9.700 1.00 0.00 H new ATOM 999 N ASP A 64 0.369 -1.898 -8.739 1.00 0.00 N ATOM 1000 CA ASP A 64 -0.981 -1.532 -9.150 1.00 0.00 C ATOM 1001 C ASP A 64 -0.950 -0.647 -10.393 1.00 0.00 C ATOM 1002 O ASP A 64 -0.014 0.121 -10.614 1.00 0.00 O ATOM 1003 CB ASP A 64 -1.705 -0.809 -8.013 1.00 0.00 C ATOM 1004 CG ASP A 64 -1.464 -1.462 -6.666 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -1.654 -2.692 -6.561 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -1.085 -0.744 -5.717 1.00 0.00 O ATOM 0 H ASP A 64 0.537 -1.832 -7.735 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.521 -2.448 -9.391 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.372 0.228 -7.976 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.775 -0.793 -8.220 1.00 0.00 H new ATOM 1011 N PRO A 65 -1.997 -0.756 -11.224 1.00 0.00 N ATOM 1012 CA PRO A 65 -2.113 0.025 -12.459 1.00 0.00 C ATOM 1013 C PRO A 65 -2.358 1.506 -12.187 1.00 0.00 C ATOM 1014 O PRO A 65 -1.900 2.368 -12.935 1.00 0.00 O ATOM 1015 CB PRO A 65 -3.322 -0.597 -13.161 1.00 0.00 C ATOM 1016 CG PRO A 65 -4.133 -1.192 -12.062 1.00 0.00 C ATOM 1017 CD PRO A 65 -3.149 -1.652 -11.022 1.00 0.00 C ATOM 0 HA PRO A 65 -1.197 -0.008 -13.049 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.890 0.154 -13.711 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.015 -1.355 -13.881 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -4.825 -0.459 -11.647 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.733 -2.026 -12.427 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.557 -1.562 -10.015 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.875 -2.698 -11.163 1.00 0.00 H new ATOM 1025 N ALA A 66 -3.084 1.792 -11.111 1.00 0.00 N ATOM 1026 CA ALA A 66 -3.388 3.168 -10.739 1.00 0.00 C ATOM 1027 C ALA A 66 -2.113 3.960 -10.472 1.00 0.00 C ATOM 1028 O ALA A 66 -1.947 5.076 -10.965 1.00 0.00 O ATOM 1029 CB ALA A 66 -4.295 3.197 -9.517 1.00 0.00 C ATOM 0 H ALA A 66 -3.472 1.089 -10.482 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.907 3.637 -11.575 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.514 4.231 -9.251 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.225 2.676 -9.742 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.796 2.705 -8.682 1.00 0.00 H new ATOM 1035 N THR A 67 -1.212 3.375 -9.688 1.00 0.00 N ATOM 1036 CA THR A 67 0.049 4.026 -9.355 1.00 0.00 C ATOM 1037 C THR A 67 0.793 4.462 -10.612 1.00 0.00 C ATOM 1038 O THR A 67 1.296 5.583 -10.690 1.00 0.00 O ATOM 1039 CB THR A 67 0.959 3.098 -8.529 1.00 0.00 C ATOM 1040 OG1 THR A 67 1.137 1.852 -9.211 1.00 0.00 O ATOM 1041 CG2 THR A 67 0.368 2.847 -7.150 1.00 0.00 C ATOM 0 H THR A 67 -1.333 2.452 -9.272 1.00 0.00 H new ATOM 0 HA THR A 67 -0.197 4.905 -8.760 1.00 0.00 H new ATOM 0 HB THR A 67 1.926 3.587 -8.409 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.261 1.456 -9.403 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.028 2.189 -6.585 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.262 3.795 -6.622 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.610 2.377 -7.253 1.00 0.00 H new ATOM 1049 N ILE A 68 0.858 3.569 -11.594 1.00 0.00 N ATOM 1050 CA ILE A 68 1.539 3.863 -12.849 1.00 0.00 C ATOM 1051 C ILE A 68 1.378 5.330 -13.231 1.00 0.00 C ATOM 1052 O ILE A 68 0.261 5.834 -13.350 1.00 0.00 O ATOM 1053 CB ILE A 68 1.008 2.984 -13.997 1.00 0.00 C ATOM 1054 CG1 ILE A 68 1.171 1.502 -13.651 1.00 0.00 C ATOM 1055 CG2 ILE A 68 1.731 3.314 -15.294 1.00 0.00 C ATOM 1056 CD1 ILE A 68 2.551 1.149 -13.143 1.00 0.00 C ATOM 0 H ILE A 68 0.448 2.636 -11.545 1.00 0.00 H new ATOM 0 HA ILE A 68 2.595 3.644 -12.694 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.053 3.191 -14.133 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.434 1.230 -12.895 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.955 0.904 -14.537 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.345 2.685 -16.096 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.568 4.362 -15.545 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.799 3.132 -15.172 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.594 0.083 -12.918 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.292 1.389 -13.906 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.763 1.720 -12.239 1.00 0.00 H new ATOM 1068 N THR A 69 2.503 6.013 -13.424 1.00 0.00 N ATOM 1069 CA THR A 69 2.488 7.422 -13.794 1.00 0.00 C ATOM 1070 C THR A 69 3.748 7.802 -14.563 1.00 0.00 C ATOM 1071 O THR A 69 4.863 7.528 -14.120 1.00 0.00 O ATOM 1072 CB THR A 69 2.365 8.327 -12.554 1.00 0.00 C ATOM 1073 OG1 THR A 69 1.277 7.888 -11.733 1.00 0.00 O ATOM 1074 CG2 THR A 69 2.147 9.777 -12.960 1.00 0.00 C ATOM 0 H THR A 69 3.436 5.612 -13.330 1.00 0.00 H new ATOM 0 HA THR A 69 1.617 7.572 -14.432 1.00 0.00 H new ATOM 0 HB THR A 69 3.296 8.261 -11.990 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.589 7.185 -11.126 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.063 10.396 -12.067 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.991 10.118 -13.560 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.230 9.857 -13.544 1.00 0.00 H new ATOM 1082 N TRP A 70 3.563 8.435 -15.716 1.00 0.00 N ATOM 1083 CA TRP A 70 4.686 8.854 -16.546 1.00 0.00 C ATOM 1084 C TRP A 70 4.585 10.335 -16.892 1.00 0.00 C ATOM 1085 O TRP A 70 3.712 10.744 -17.657 1.00 0.00 O ATOM 1086 CB TRP A 70 4.738 8.021 -17.828 1.00 0.00 C ATOM 1087 CG TRP A 70 4.536 6.555 -17.592 1.00 0.00 C ATOM 1088 CD1 TRP A 70 3.364 5.861 -17.697 1.00 0.00 C ATOM 1089 CD2 TRP A 70 5.534 5.603 -17.209 1.00 0.00 C ATOM 1090 NE1 TRP A 70 3.574 4.536 -17.403 1.00 0.00 N ATOM 1091 CE2 TRP A 70 4.897 4.351 -17.101 1.00 0.00 C ATOM 1092 CE3 TRP A 70 6.905 5.685 -16.949 1.00 0.00 C ATOM 1093 CZ2 TRP A 70 5.584 3.194 -16.743 1.00 0.00 C ATOM 1094 CZ3 TRP A 70 7.585 4.536 -16.593 1.00 0.00 C ATOM 1095 CH2 TRP A 70 6.925 3.304 -16.493 1.00 0.00 C ATOM 0 H TRP A 70 2.646 8.669 -16.097 1.00 0.00 H new ATOM 0 HA TRP A 70 5.603 8.694 -15.979 1.00 0.00 H new ATOM 0 HB2 TRP A 70 3.973 8.380 -18.517 1.00 0.00 H new ATOM 0 HB3 TRP A 70 5.702 8.174 -18.314 1.00 0.00 H new ATOM 0 HD1 TRP A 70 2.412 6.291 -17.971 1.00 0.00 H new ATOM 0 HE1 TRP A 70 2.860 3.808 -17.409 1.00 0.00 H new ATOM 0 HE3 TRP A 70 7.423 6.629 -17.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 5.077 2.244 -16.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 8.644 4.588 -16.388 1.00 0.00 H new ATOM 0 HH2 TRP A 70 7.485 2.424 -16.213 1.00 0.00 H new ATOM 1106 N GLN A 71 5.484 11.134 -16.325 1.00 0.00 N ATOM 1107 CA GLN A 71 5.494 12.570 -16.574 1.00 0.00 C ATOM 1108 C GLN A 71 5.584 12.863 -18.068 1.00 0.00 C ATOM 1109 O GLN A 71 6.053 13.927 -18.476 1.00 0.00 O ATOM 1110 CB GLN A 71 6.664 13.228 -15.841 1.00 0.00 C ATOM 1111 CG GLN A 71 6.598 13.079 -14.330 1.00 0.00 C ATOM 1112 CD GLN A 71 7.966 13.116 -13.679 1.00 0.00 C ATOM 1113 OE1 GLN A 71 8.908 13.695 -14.220 1.00 0.00 O ATOM 1114 NE2 GLN A 71 8.083 12.497 -12.510 1.00 0.00 N ATOM 0 H GLN A 71 6.214 10.811 -15.690 1.00 0.00 H new ATOM 0 HA GLN A 71 4.559 12.985 -16.197 1.00 0.00 H new ATOM 0 HB2 GLN A 71 7.597 12.793 -16.200 1.00 0.00 H new ATOM 0 HB3 GLN A 71 6.689 14.288 -16.092 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.982 13.877 -13.917 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.108 12.137 -14.083 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.276 12.029 -12.097 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.980 12.489 -12.025 1.00 0.00 H new TER 1123 GLN A 71