USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 862 hydrogens (19 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 50 SER OG : rot 94:sc= 1.47 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0873 (180deg=0) USER MOD Single : A 4 SER OG : rot 110:sc= 0.0482 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 170:sc= -0.815 USER MOD Single : A 10 THR OG1 : rot -72:sc= 0.454 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 30:sc= -0.18 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.394 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -1.44! K(o=-1.4!,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 34 SER OG : rot 180:sc= -0.844 USER MOD Single : A 36 HIS : no HD1:sc= -5.23! C(o=-5.2!,f=-4.8!) USER MOD Single : A 38 THR OG1 : rot 170:sc= -0.789 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0673 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.277) USER MOD Single : A 49 SER OG : rot -62:sc= 0.319 USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0107) USER MOD Single : A 54 ASN : amide:sc= -0.0148 X(o=-0.015,f=-0.066) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 162:sc= -0.391 (180deg=-1.01) USER MOD Single : A 75 GLN : amide:sc= -0.0291 K(o=-0.029,f=-2.3!) USER MOD Single : A 77 MET CE :methyl 158:sc= -3.35 (180deg=-6.82!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 70:sc= -0.0686 USER MOD Single : A 105 ASN : amide:sc= -0.099 K(o=-0.099,f=-3.6!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.770 4.484 -0.758 1.00 0.00 N ATOM 2 CA GLY A 1 4.068 5.052 -1.071 1.00 0.00 C ATOM 3 C GLY A 1 4.392 6.263 -0.218 1.00 0.00 C ATOM 4 O GLY A 1 3.652 6.619 0.699 1.00 0.00 O ATOM 0 H1 GLY A 1 2.881 3.480 -0.511 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.352 4.994 0.046 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.145 4.570 -1.585 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.837 4.294 -0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.093 5.335 -2.123 1.00 0.00 H new ATOM 8 N PRO A 2 5.524 6.916 -0.518 1.00 0.00 N ATOM 9 CA PRO A 2 5.972 8.103 0.218 1.00 0.00 C ATOM 10 C PRO A 2 5.086 9.316 -0.045 1.00 0.00 C ATOM 11 O PRO A 2 4.801 10.097 0.861 1.00 0.00 O ATOM 12 CB PRO A 2 7.383 8.344 -0.323 1.00 0.00 C ATOM 13 CG PRO A 2 7.379 7.731 -1.681 1.00 0.00 C ATOM 14 CD PRO A 2 6.455 6.548 -1.598 1.00 0.00 C ATOM 0 HA PRO A 2 5.935 7.952 1.297 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.612 9.409 -0.370 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.136 7.884 0.317 1.00 0.00 H new ATOM 0 HG2 PRO A 2 7.034 8.444 -2.430 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.383 7.423 -1.973 1.00 0.00 H new ATOM 0 HD2 PRO A 2 5.932 6.380 -2.539 1.00 0.00 H new ATOM 0 HD3 PRO A 2 6.997 5.631 -1.366 1.00 0.00 H new ATOM 22 N GLY A 3 4.653 9.467 -1.293 1.00 0.00 N ATOM 23 CA GLY A 3 3.803 10.588 -1.653 1.00 0.00 C ATOM 24 C GLY A 3 4.096 11.114 -3.044 1.00 0.00 C ATOM 25 O GLY A 3 3.442 10.726 -4.012 1.00 0.00 O ATOM 0 H GLY A 3 4.875 8.834 -2.061 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.759 10.281 -1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.939 11.391 -0.928 1.00 0.00 H new ATOM 29 N SER A 4 5.080 12.002 -3.144 1.00 0.00 N ATOM 30 CA SER A 4 5.454 12.586 -4.427 1.00 0.00 C ATOM 31 C SER A 4 6.441 11.688 -5.166 1.00 0.00 C ATOM 32 O SER A 4 6.966 10.728 -4.602 1.00 0.00 O ATOM 33 CB SER A 4 6.065 13.974 -4.220 1.00 0.00 C ATOM 34 OG SER A 4 5.087 14.903 -3.787 1.00 0.00 O ATOM 0 H SER A 4 5.632 12.333 -2.353 1.00 0.00 H new ATOM 0 HA SER A 4 4.553 12.680 -5.032 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.867 13.916 -3.484 1.00 0.00 H new ATOM 0 HB3 SER A 4 6.513 14.320 -5.152 1.00 0.00 H new ATOM 0 HG SER A 4 5.255 15.143 -2.852 1.00 0.00 H new ATOM 40 N MET A 5 6.690 12.009 -6.432 1.00 0.00 N ATOM 41 CA MET A 5 7.615 11.232 -7.249 1.00 0.00 C ATOM 42 C MET A 5 8.974 11.918 -7.332 1.00 0.00 C ATOM 43 O MET A 5 9.956 11.446 -6.758 1.00 0.00 O ATOM 44 CB MET A 5 7.044 11.033 -8.654 1.00 0.00 C ATOM 45 CG MET A 5 5.741 10.251 -8.676 1.00 0.00 C ATOM 46 SD MET A 5 5.991 8.479 -8.451 1.00 0.00 S ATOM 47 CE MET A 5 5.434 7.855 -10.034 1.00 0.00 C ATOM 0 H MET A 5 6.264 12.801 -6.914 1.00 0.00 H new ATOM 0 HA MET A 5 7.748 10.258 -6.778 1.00 0.00 H new ATOM 0 HB2 MET A 5 6.880 12.008 -9.112 1.00 0.00 H new ATOM 0 HB3 MET A 5 7.781 10.513 -9.266 1.00 0.00 H new ATOM 0 HG2 MET A 5 5.084 10.624 -7.890 1.00 0.00 H new ATOM 0 HG3 MET A 5 5.233 10.425 -9.625 1.00 0.00 H new ATOM 0 HE1 MET A 5 5.527 6.769 -10.050 1.00 0.00 H new ATOM 0 HE2 MET A 5 4.391 8.132 -10.188 1.00 0.00 H new ATOM 0 HE3 MET A 5 6.044 8.284 -10.829 1.00 0.00 H new ATOM 57 N THR A 6 9.026 13.036 -8.050 1.00 0.00 N ATOM 58 CA THR A 6 10.265 13.786 -8.209 1.00 0.00 C ATOM 59 C THR A 6 10.112 15.215 -7.702 1.00 0.00 C ATOM 60 O THR A 6 9.108 15.876 -7.969 1.00 0.00 O ATOM 61 CB THR A 6 10.715 13.822 -9.682 1.00 0.00 C ATOM 62 OG1 THR A 6 10.444 12.563 -10.308 1.00 0.00 O ATOM 63 CG2 THR A 6 12.199 14.138 -9.787 1.00 0.00 C ATOM 0 H THR A 6 8.223 13.442 -8.531 1.00 0.00 H new ATOM 0 HA THR A 6 11.023 13.273 -7.617 1.00 0.00 H new ATOM 0 HB THR A 6 10.156 14.608 -10.191 1.00 0.00 H new ATOM 0 HG1 THR A 6 10.731 12.595 -11.244 1.00 0.00 H new ATOM 0 HG21 THR A 6 12.493 14.158 -10.836 1.00 0.00 H new ATOM 0 HG22 THR A 6 12.397 15.110 -9.336 1.00 0.00 H new ATOM 0 HG23 THR A 6 12.772 13.372 -9.264 1.00 0.00 H new ATOM 71 N VAL A 7 11.114 15.688 -6.967 1.00 0.00 N ATOM 72 CA VAL A 7 11.091 17.041 -6.423 1.00 0.00 C ATOM 73 C VAL A 7 12.106 17.934 -7.128 1.00 0.00 C ATOM 74 O VAL A 7 13.307 17.845 -6.876 1.00 0.00 O ATOM 75 CB VAL A 7 11.384 17.042 -4.911 1.00 0.00 C ATOM 76 CG1 VAL A 7 11.178 18.432 -4.329 1.00 0.00 C ATOM 77 CG2 VAL A 7 10.511 16.021 -4.198 1.00 0.00 C ATOM 0 H VAL A 7 11.952 15.154 -6.735 1.00 0.00 H new ATOM 0 HA VAL A 7 10.088 17.434 -6.591 1.00 0.00 H new ATOM 0 HB VAL A 7 12.426 16.762 -4.760 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.389 18.414 -3.260 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.850 19.135 -4.820 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.146 18.744 -4.489 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.732 16.036 -3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.461 16.267 -4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.714 15.027 -4.597 1.00 0.00 H new ATOM 87 N VAL A 8 11.614 18.795 -8.013 1.00 0.00 N ATOM 88 CA VAL A 8 12.477 19.707 -8.754 1.00 0.00 C ATOM 89 C VAL A 8 12.090 21.159 -8.499 1.00 0.00 C ATOM 90 O VAL A 8 10.911 21.483 -8.352 1.00 0.00 O ATOM 91 CB VAL A 8 12.419 19.429 -10.267 1.00 0.00 C ATOM 92 CG1 VAL A 8 10.985 19.495 -10.768 1.00 0.00 C ATOM 93 CG2 VAL A 8 13.302 20.412 -11.023 1.00 0.00 C ATOM 0 H VAL A 8 10.622 18.880 -8.234 1.00 0.00 H new ATOM 0 HA VAL A 8 13.494 19.538 -8.400 1.00 0.00 H new ATOM 0 HB VAL A 8 12.796 18.422 -10.448 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.964 19.296 -11.839 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.383 18.749 -10.249 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.578 20.488 -10.576 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.249 20.201 -12.091 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.957 21.429 -10.836 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.333 20.311 -10.684 1.00 0.00 H new ATOM 103 N THR A 9 13.091 22.033 -8.449 1.00 0.00 N ATOM 104 CA THR A 9 12.856 23.452 -8.212 1.00 0.00 C ATOM 105 C THR A 9 13.537 24.307 -9.274 1.00 0.00 C ATOM 106 O THR A 9 14.627 23.980 -9.746 1.00 0.00 O ATOM 107 CB THR A 9 13.363 23.880 -6.822 1.00 0.00 C ATOM 108 OG1 THR A 9 12.662 23.161 -5.801 1.00 0.00 O ATOM 109 CG2 THR A 9 13.175 25.376 -6.615 1.00 0.00 C ATOM 0 H THR A 9 14.072 21.783 -8.570 1.00 0.00 H new ATOM 0 HA THR A 9 11.778 23.607 -8.261 1.00 0.00 H new ATOM 0 HB THR A 9 14.427 23.651 -6.762 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.095 23.316 -4.936 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.540 25.655 -5.627 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.733 25.922 -7.376 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.117 25.624 -6.694 1.00 0.00 H new ATOM 117 N THR A 10 12.888 25.406 -9.648 1.00 0.00 N ATOM 118 CA THR A 10 13.431 26.308 -10.656 1.00 0.00 C ATOM 119 C THR A 10 14.433 27.279 -10.042 1.00 0.00 C ATOM 120 O THR A 10 14.724 27.211 -8.848 1.00 0.00 O ATOM 121 CB THR A 10 12.315 27.111 -11.350 1.00 0.00 C ATOM 122 OG1 THR A 10 11.727 28.033 -10.426 1.00 0.00 O ATOM 123 CG2 THR A 10 11.242 26.183 -11.900 1.00 0.00 C ATOM 0 H THR A 10 11.986 25.692 -9.268 1.00 0.00 H new ATOM 0 HA THR A 10 13.937 25.688 -11.396 1.00 0.00 H new ATOM 0 HB THR A 10 12.757 27.662 -12.180 1.00 0.00 H new ATOM 0 HG1 THR A 10 11.181 27.542 -9.777 1.00 0.00 H new ATOM 0 HG21 THR A 10 10.465 26.773 -12.385 1.00 0.00 H new ATOM 0 HG22 THR A 10 11.687 25.502 -12.625 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.805 25.608 -11.084 1.00 0.00 H new ATOM 131 N GLU A 11 14.957 28.181 -10.865 1.00 0.00 N ATOM 132 CA GLU A 11 15.927 29.166 -10.401 1.00 0.00 C ATOM 133 C GLU A 11 15.228 30.341 -9.723 1.00 0.00 C ATOM 134 O GLU A 11 15.725 30.887 -8.738 1.00 0.00 O ATOM 135 CB GLU A 11 16.776 29.669 -11.571 1.00 0.00 C ATOM 136 CG GLU A 11 18.000 28.813 -11.848 1.00 0.00 C ATOM 137 CD GLU A 11 19.129 29.599 -12.485 1.00 0.00 C ATOM 138 OE1 GLU A 11 18.840 30.577 -13.205 1.00 0.00 O ATOM 139 OE2 GLU A 11 20.303 29.235 -12.263 1.00 0.00 O ATOM 0 H GLU A 11 14.726 28.250 -11.856 1.00 0.00 H new ATOM 0 HA GLU A 11 16.577 28.682 -9.672 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.158 29.705 -12.468 1.00 0.00 H new ATOM 0 HB3 GLU A 11 17.097 30.690 -11.364 1.00 0.00 H new ATOM 0 HG2 GLU A 11 18.350 28.373 -10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 11 17.721 27.988 -12.504 1.00 0.00 H new ATOM 146 N SER A 12 14.074 30.724 -10.258 1.00 0.00 N ATOM 147 CA SER A 12 13.308 31.836 -9.708 1.00 0.00 C ATOM 148 C SER A 12 12.797 31.505 -8.309 1.00 0.00 C ATOM 149 O SER A 12 12.611 32.392 -7.478 1.00 0.00 O ATOM 150 CB SER A 12 12.132 32.177 -10.626 1.00 0.00 C ATOM 151 OG SER A 12 12.538 32.213 -11.983 1.00 0.00 O ATOM 0 H SER A 12 13.648 30.281 -11.072 1.00 0.00 H new ATOM 0 HA SER A 12 13.968 32.701 -9.639 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.341 31.437 -10.499 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.714 33.143 -10.343 1.00 0.00 H new ATOM 0 HG SER A 12 11.768 32.431 -12.549 1.00 0.00 H new ATOM 157 N GLY A 13 12.570 30.219 -8.058 1.00 0.00 N ATOM 158 CA GLY A 13 12.083 29.791 -6.760 1.00 0.00 C ATOM 159 C GLY A 13 10.837 28.934 -6.862 1.00 0.00 C ATOM 160 O GLY A 13 10.561 28.118 -5.981 1.00 0.00 O ATOM 0 H GLY A 13 12.715 29.466 -8.731 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.865 29.230 -6.249 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.868 30.668 -6.149 1.00 0.00 H new ATOM 164 N LEU A 14 10.081 29.118 -7.939 1.00 0.00 N ATOM 165 CA LEU A 14 8.856 28.356 -8.153 1.00 0.00 C ATOM 166 C LEU A 14 9.117 26.858 -8.026 1.00 0.00 C ATOM 167 O LEU A 14 10.112 26.345 -8.537 1.00 0.00 O ATOM 168 CB LEU A 14 8.272 28.668 -9.532 1.00 0.00 C ATOM 169 CG LEU A 14 7.213 27.693 -10.049 1.00 0.00 C ATOM 170 CD1 LEU A 14 5.957 27.767 -9.194 1.00 0.00 C ATOM 171 CD2 LEU A 14 6.885 27.985 -11.506 1.00 0.00 C ATOM 0 H LEU A 14 10.295 29.788 -8.677 1.00 0.00 H new ATOM 0 HA LEU A 14 8.138 28.647 -7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.834 29.666 -9.502 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.090 28.700 -10.252 1.00 0.00 H new ATOM 0 HG LEU A 14 7.615 26.682 -9.983 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.215 27.067 -9.577 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.202 27.509 -8.164 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.553 28.779 -9.228 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.130 27.282 -11.857 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.503 29.002 -11.596 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.786 27.881 -12.110 1.00 0.00 H new ATOM 183 N LYS A 15 8.215 26.161 -7.343 1.00 0.00 N ATOM 184 CA LYS A 15 8.345 24.722 -7.151 1.00 0.00 C ATOM 185 C LYS A 15 7.013 24.019 -7.391 1.00 0.00 C ATOM 186 O LYS A 15 5.957 24.653 -7.398 1.00 0.00 O ATOM 187 CB LYS A 15 8.846 24.418 -5.737 1.00 0.00 C ATOM 188 CG LYS A 15 9.971 25.331 -5.281 1.00 0.00 C ATOM 189 CD LYS A 15 10.770 24.708 -4.148 1.00 0.00 C ATOM 190 CE LYS A 15 10.046 24.840 -2.817 1.00 0.00 C ATOM 191 NZ LYS A 15 10.708 24.048 -1.745 1.00 0.00 N ATOM 0 H LYS A 15 7.385 26.570 -6.913 1.00 0.00 H new ATOM 0 HA LYS A 15 9.069 24.348 -7.875 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.013 24.505 -5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.189 23.384 -5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.633 25.542 -6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.557 26.285 -4.954 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.948 23.654 -4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.746 25.189 -4.082 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.012 25.890 -2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.014 24.507 -2.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.185 24.164 -0.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.718 23.043 -2.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.685 24.383 -1.619 1.00 0.00 H new ATOM 205 N TYR A 16 7.069 22.706 -7.586 1.00 0.00 N ATOM 206 CA TYR A 16 5.866 21.917 -7.828 1.00 0.00 C ATOM 207 C TYR A 16 6.079 20.462 -7.421 1.00 0.00 C ATOM 208 O TYR A 16 7.168 19.914 -7.584 1.00 0.00 O ATOM 209 CB TYR A 16 5.469 21.993 -9.303 1.00 0.00 C ATOM 210 CG TYR A 16 6.629 21.798 -10.254 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.423 22.870 -10.642 1.00 0.00 C ATOM 212 CD2 TYR A 16 6.932 20.541 -10.762 1.00 0.00 C ATOM 213 CE1 TYR A 16 8.483 22.697 -11.511 1.00 0.00 C ATOM 214 CE2 TYR A 16 7.991 20.358 -11.630 1.00 0.00 C ATOM 215 CZ TYR A 16 8.763 21.438 -12.002 1.00 0.00 C ATOM 216 OH TYR A 16 9.819 21.261 -12.866 1.00 0.00 O ATOM 0 H TYR A 16 7.934 22.166 -7.581 1.00 0.00 H new ATOM 0 HA TYR A 16 5.061 22.332 -7.221 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.712 21.235 -9.506 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.010 22.962 -9.497 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.208 23.856 -10.257 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.329 19.692 -10.473 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.089 23.542 -11.804 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.213 19.374 -12.015 1.00 0.00 H new ATOM 0 HH TYR A 16 10.514 21.924 -12.673 1.00 0.00 H new ATOM 226 N GLU A 17 5.028 19.843 -6.892 1.00 0.00 N ATOM 227 CA GLU A 17 5.099 18.452 -6.461 1.00 0.00 C ATOM 228 C GLU A 17 4.042 17.609 -7.168 1.00 0.00 C ATOM 229 O GLU A 17 2.843 17.854 -7.031 1.00 0.00 O ATOM 230 CB GLU A 17 4.915 18.354 -4.945 1.00 0.00 C ATOM 231 CG GLU A 17 6.205 18.534 -4.163 1.00 0.00 C ATOM 232 CD GLU A 17 6.151 17.886 -2.793 1.00 0.00 C ATOM 233 OE1 GLU A 17 5.075 17.372 -2.422 1.00 0.00 O ATOM 234 OE2 GLU A 17 7.185 17.893 -2.092 1.00 0.00 O ATOM 0 H GLU A 17 4.118 20.283 -6.752 1.00 0.00 H new ATOM 0 HA GLU A 17 6.084 18.066 -6.726 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.197 19.109 -4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.485 17.382 -4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.032 18.107 -4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.412 19.598 -4.050 1.00 0.00 H new ATOM 241 N ASP A 18 4.495 16.616 -7.925 1.00 0.00 N ATOM 242 CA ASP A 18 3.589 15.736 -8.655 1.00 0.00 C ATOM 243 C ASP A 18 2.791 14.861 -7.693 1.00 0.00 C ATOM 244 O ASP A 18 3.359 14.066 -6.943 1.00 0.00 O ATOM 245 CB ASP A 18 4.373 14.858 -9.631 1.00 0.00 C ATOM 246 CG ASP A 18 4.579 15.529 -10.975 1.00 0.00 C ATOM 247 OD1 ASP A 18 3.599 16.078 -11.520 1.00 0.00 O ATOM 248 OD2 ASP A 18 5.720 15.505 -11.482 1.00 0.00 O ATOM 0 H ASP A 18 5.484 16.400 -8.049 1.00 0.00 H new ATOM 0 HA ASP A 18 2.892 16.357 -9.217 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.343 14.614 -9.197 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.843 13.917 -9.775 1.00 0.00 H new ATOM 253 N LEU A 19 1.471 15.012 -7.720 1.00 0.00 N ATOM 254 CA LEU A 19 0.594 14.236 -6.851 1.00 0.00 C ATOM 255 C LEU A 19 -0.152 13.168 -7.643 1.00 0.00 C ATOM 256 O LEU A 19 -0.492 12.109 -7.113 1.00 0.00 O ATOM 257 CB LEU A 19 -0.405 15.158 -6.149 1.00 0.00 C ATOM 258 CG LEU A 19 0.132 15.942 -4.951 1.00 0.00 C ATOM 259 CD1 LEU A 19 -0.842 17.040 -4.552 1.00 0.00 C ATOM 260 CD2 LEU A 19 0.398 15.010 -3.778 1.00 0.00 C ATOM 0 H LEU A 19 0.985 15.665 -8.335 1.00 0.00 H new ATOM 0 HA LEU A 19 1.211 13.740 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.789 15.869 -6.881 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.251 14.557 -5.815 1.00 0.00 H new ATOM 0 HG LEU A 19 1.075 16.407 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.443 17.587 -3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.981 17.725 -5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.800 16.596 -4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.780 15.586 -2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.529 14.515 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.134 14.261 -4.068 1.00 0.00 H new ATOM 272 N THR A 20 -0.403 13.451 -8.918 1.00 0.00 N ATOM 273 CA THR A 20 -1.107 12.514 -9.784 1.00 0.00 C ATOM 274 C THR A 20 -0.771 12.762 -11.250 1.00 0.00 C ATOM 275 O THR A 20 -1.094 13.814 -11.801 1.00 0.00 O ATOM 276 CB THR A 20 -2.633 12.613 -9.595 1.00 0.00 C ATOM 277 OG1 THR A 20 -2.953 12.637 -8.200 1.00 0.00 O ATOM 278 CG2 THR A 20 -3.338 11.441 -10.263 1.00 0.00 C ATOM 0 H THR A 20 -0.129 14.322 -9.373 1.00 0.00 H new ATOM 0 HA THR A 20 -0.777 11.514 -9.503 1.00 0.00 H new ATOM 0 HB THR A 20 -2.976 13.536 -10.062 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.924 12.702 -8.088 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.414 11.532 -10.116 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.116 11.443 -11.330 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.990 10.507 -9.822 1.00 0.00 H new ATOM 286 N GLU A 21 -0.121 11.786 -11.877 1.00 0.00 N ATOM 287 CA GLU A 21 0.258 11.900 -13.280 1.00 0.00 C ATOM 288 C GLU A 21 -0.976 12.031 -14.169 1.00 0.00 C ATOM 289 O GLU A 21 -2.040 11.500 -13.854 1.00 0.00 O ATOM 290 CB GLU A 21 1.082 10.684 -13.709 1.00 0.00 C ATOM 291 CG GLU A 21 1.679 10.813 -15.101 1.00 0.00 C ATOM 292 CD GLU A 21 0.727 10.354 -16.188 1.00 0.00 C ATOM 293 OE1 GLU A 21 -0.373 9.871 -15.848 1.00 0.00 O ATOM 294 OE2 GLU A 21 1.082 10.477 -17.379 1.00 0.00 O ATOM 0 H GLU A 21 0.154 10.908 -11.436 1.00 0.00 H new ATOM 0 HA GLU A 21 0.863 12.799 -13.394 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.887 10.529 -12.991 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.450 9.797 -13.675 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.954 11.852 -15.279 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.596 10.226 -15.155 1.00 0.00 H new ATOM 301 N GLY A 22 -0.824 12.744 -15.281 1.00 0.00 N ATOM 302 CA GLY A 22 -1.933 12.934 -16.197 1.00 0.00 C ATOM 303 C GLY A 22 -1.530 12.735 -17.645 1.00 0.00 C ATOM 304 O GLY A 22 -1.083 13.672 -18.306 1.00 0.00 O ATOM 0 H GLY A 22 0.047 13.193 -15.563 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.731 12.235 -15.946 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.337 13.938 -16.070 1.00 0.00 H new ATOM 308 N SER A 23 -1.685 11.510 -18.138 1.00 0.00 N ATOM 309 CA SER A 23 -1.328 11.189 -19.514 1.00 0.00 C ATOM 310 C SER A 23 -2.433 11.617 -20.476 1.00 0.00 C ATOM 311 O SER A 23 -2.981 10.799 -21.213 1.00 0.00 O ATOM 312 CB SER A 23 -1.063 9.689 -19.659 1.00 0.00 C ATOM 313 OG SER A 23 -0.361 9.409 -20.857 1.00 0.00 O ATOM 0 H SER A 23 -2.056 10.724 -17.604 1.00 0.00 H new ATOM 0 HA SER A 23 -0.419 11.737 -19.764 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.487 9.334 -18.805 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.009 9.147 -19.653 1.00 0.00 H new ATOM 0 HG SER A 23 -0.203 8.444 -20.925 1.00 0.00 H new ATOM 319 N GLY A 24 -2.754 12.907 -20.462 1.00 0.00 N ATOM 320 CA GLY A 24 -3.792 13.423 -21.336 1.00 0.00 C ATOM 321 C GLY A 24 -3.250 14.386 -22.373 1.00 0.00 C ATOM 322 O GLY A 24 -3.153 14.049 -23.553 1.00 0.00 O ATOM 0 H GLY A 24 -2.314 13.604 -19.861 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.285 12.592 -21.839 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.550 13.928 -20.737 1.00 0.00 H new ATOM 326 N ALA A 25 -2.898 15.590 -21.933 1.00 0.00 N ATOM 327 CA ALA A 25 -2.363 16.605 -22.832 1.00 0.00 C ATOM 328 C ALA A 25 -1.893 17.832 -22.058 1.00 0.00 C ATOM 329 O ALA A 25 -2.594 18.324 -21.174 1.00 0.00 O ATOM 330 CB ALA A 25 -3.408 16.999 -23.865 1.00 0.00 C ATOM 0 H ALA A 25 -2.974 15.886 -20.960 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.501 16.181 -23.347 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.995 17.758 -24.530 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.693 16.123 -24.447 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.287 17.399 -23.359 1.00 0.00 H new ATOM 336 N GLU A 26 -0.703 18.319 -22.395 1.00 0.00 N ATOM 337 CA GLU A 26 -0.141 19.488 -21.728 1.00 0.00 C ATOM 338 C GLU A 26 -0.945 20.742 -22.058 1.00 0.00 C ATOM 339 O GLU A 26 -1.341 20.955 -23.204 1.00 0.00 O ATOM 340 CB GLU A 26 1.320 19.683 -22.139 1.00 0.00 C ATOM 341 CG GLU A 26 1.918 20.995 -21.659 1.00 0.00 C ATOM 342 CD GLU A 26 3.360 21.172 -22.093 1.00 0.00 C ATOM 343 OE1 GLU A 26 4.223 20.412 -21.606 1.00 0.00 O ATOM 344 OE2 GLU A 26 3.626 22.071 -22.918 1.00 0.00 O ATOM 0 H GLU A 26 -0.110 17.923 -23.125 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.190 19.319 -20.652 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.913 18.858 -21.745 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.392 19.637 -23.226 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.323 21.823 -22.043 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.862 21.039 -20.571 1.00 0.00 H new ATOM 351 N ALA A 27 -1.183 21.569 -21.045 1.00 0.00 N ATOM 352 CA ALA A 27 -1.938 22.802 -21.227 1.00 0.00 C ATOM 353 C ALA A 27 -1.339 23.654 -22.341 1.00 0.00 C ATOM 354 O ALA A 27 -0.183 24.070 -22.264 1.00 0.00 O ATOM 355 CB ALA A 27 -1.985 23.589 -19.926 1.00 0.00 C ATOM 0 H ALA A 27 -0.864 21.407 -20.090 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.955 22.536 -21.516 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.552 24.508 -20.077 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.466 22.988 -19.154 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.970 23.836 -19.613 1.00 0.00 H new ATOM 361 N ARG A 28 -2.132 23.908 -23.377 1.00 0.00 N ATOM 362 CA ARG A 28 -1.678 24.708 -24.508 1.00 0.00 C ATOM 363 C ARG A 28 -1.786 26.198 -24.198 1.00 0.00 C ATOM 364 O ARG A 28 -2.498 26.601 -23.279 1.00 0.00 O ATOM 365 CB ARG A 28 -2.498 24.376 -25.757 1.00 0.00 C ATOM 366 CG ARG A 28 -2.154 23.029 -26.370 1.00 0.00 C ATOM 367 CD ARG A 28 -0.962 23.133 -27.310 1.00 0.00 C ATOM 368 NE ARG A 28 -0.912 22.021 -28.255 1.00 0.00 N ATOM 369 CZ ARG A 28 -0.017 21.927 -29.232 1.00 0.00 C ATOM 370 NH1 ARG A 28 0.898 22.873 -29.391 1.00 0.00 N ATOM 371 NH2 ARG A 28 -0.035 20.884 -30.053 1.00 0.00 N ATOM 0 H ARG A 28 -3.092 23.571 -23.456 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.631 24.467 -24.694 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.557 24.389 -25.500 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.341 25.156 -26.502 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.933 22.313 -25.578 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.016 22.645 -26.915 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.014 24.073 -27.859 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.041 23.155 -26.727 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.602 21.276 -28.160 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.916 23.676 -28.762 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.584 22.798 -30.142 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.737 20.153 -29.934 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.653 20.813 -30.803 1.00 0.00 H new ATOM 385 N ALA A 29 -1.073 27.011 -24.971 1.00 0.00 N ATOM 386 CA ALA A 29 -1.090 28.456 -24.779 1.00 0.00 C ATOM 387 C ALA A 29 -2.062 29.127 -25.744 1.00 0.00 C ATOM 388 O ALA A 29 -2.289 28.639 -26.850 1.00 0.00 O ATOM 389 CB ALA A 29 0.310 29.028 -24.954 1.00 0.00 C ATOM 0 H ALA A 29 -0.477 26.694 -25.735 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.430 28.659 -23.763 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.283 30.108 -24.808 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.981 28.579 -24.221 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.670 28.807 -25.959 1.00 0.00 H new ATOM 395 N GLY A 30 -2.633 30.248 -25.317 1.00 0.00 N ATOM 396 CA GLY A 30 -3.575 30.967 -26.155 1.00 0.00 C ATOM 397 C GLY A 30 -4.962 30.356 -26.125 1.00 0.00 C ATOM 398 O GLY A 30 -5.882 30.857 -26.770 1.00 0.00 O ATOM 0 H GLY A 30 -2.460 30.672 -24.405 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.631 32.004 -25.825 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.208 30.978 -27.181 1.00 0.00 H new ATOM 402 N GLN A 31 -5.112 29.269 -25.375 1.00 0.00 N ATOM 403 CA GLN A 31 -6.396 28.587 -25.266 1.00 0.00 C ATOM 404 C GLN A 31 -6.899 28.601 -23.826 1.00 0.00 C ATOM 405 O GLN A 31 -6.111 28.675 -22.882 1.00 0.00 O ATOM 406 CB GLN A 31 -6.276 27.146 -25.763 1.00 0.00 C ATOM 407 CG GLN A 31 -7.565 26.597 -26.353 1.00 0.00 C ATOM 408 CD GLN A 31 -7.327 25.435 -27.297 1.00 0.00 C ATOM 409 OE1 GLN A 31 -7.254 25.613 -28.513 1.00 0.00 O ATOM 410 NE2 GLN A 31 -7.203 24.235 -26.741 1.00 0.00 N ATOM 0 H GLN A 31 -4.360 28.842 -24.834 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.116 29.119 -25.888 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.490 27.095 -26.517 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.965 26.509 -24.935 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.222 26.275 -25.545 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.084 27.393 -26.887 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.270 24.133 -25.728 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.041 23.416 -27.327 1.00 0.00 H new ATOM 419 N THR A 32 -8.217 28.529 -23.664 1.00 0.00 N ATOM 420 CA THR A 32 -8.825 28.535 -22.339 1.00 0.00 C ATOM 421 C THR A 32 -8.951 27.121 -21.786 1.00 0.00 C ATOM 422 O THR A 32 -9.760 26.326 -22.263 1.00 0.00 O ATOM 423 CB THR A 32 -10.219 29.190 -22.364 1.00 0.00 C ATOM 424 OG1 THR A 32 -10.191 30.371 -23.175 1.00 0.00 O ATOM 425 CG2 THR A 32 -10.675 29.546 -20.957 1.00 0.00 C ATOM 0 H THR A 32 -8.883 28.466 -24.434 1.00 0.00 H new ATOM 0 HA THR A 32 -8.169 29.118 -21.693 1.00 0.00 H new ATOM 0 HB THR A 32 -10.924 28.475 -22.788 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.081 30.781 -23.187 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.662 30.007 -21.000 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.723 28.642 -20.350 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.967 30.245 -20.511 1.00 0.00 H new ATOM 433 N VAL A 33 -8.145 26.812 -20.774 1.00 0.00 N ATOM 434 CA VAL A 33 -8.168 25.493 -20.154 1.00 0.00 C ATOM 435 C VAL A 33 -8.858 25.536 -18.795 1.00 0.00 C ATOM 436 O VAL A 33 -8.732 26.511 -18.054 1.00 0.00 O ATOM 437 CB VAL A 33 -6.744 24.932 -19.977 1.00 0.00 C ATOM 438 CG1 VAL A 33 -6.019 24.884 -21.313 1.00 0.00 C ATOM 439 CG2 VAL A 33 -5.966 25.762 -18.967 1.00 0.00 C ATOM 0 H VAL A 33 -7.468 27.458 -20.367 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.728 24.839 -20.822 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.818 23.914 -19.595 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.015 24.485 -21.168 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.568 24.243 -22.002 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.953 25.890 -21.728 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.963 25.351 -18.855 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.899 26.792 -19.317 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.478 25.738 -18.005 1.00 0.00 H new ATOM 449 N SER A 34 -9.587 24.473 -18.474 1.00 0.00 N ATOM 450 CA SER A 34 -10.301 24.390 -17.205 1.00 0.00 C ATOM 451 C SER A 34 -9.521 23.552 -16.196 1.00 0.00 C ATOM 452 O SER A 34 -9.246 22.375 -16.431 1.00 0.00 O ATOM 453 CB SER A 34 -11.692 23.791 -17.416 1.00 0.00 C ATOM 454 OG SER A 34 -12.023 22.889 -16.374 1.00 0.00 O ATOM 0 H SER A 34 -9.699 23.657 -19.075 1.00 0.00 H new ATOM 0 HA SER A 34 -10.405 25.400 -16.809 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.433 24.590 -17.459 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.727 23.273 -18.374 1.00 0.00 H new ATOM 0 HG SER A 34 -12.918 22.521 -16.532 1.00 0.00 H new ATOM 460 N VAL A 35 -9.168 24.167 -15.072 1.00 0.00 N ATOM 461 CA VAL A 35 -8.421 23.479 -14.027 1.00 0.00 C ATOM 462 C VAL A 35 -8.861 23.940 -12.642 1.00 0.00 C ATOM 463 O VAL A 35 -9.403 25.034 -12.484 1.00 0.00 O ATOM 464 CB VAL A 35 -6.905 23.710 -14.174 1.00 0.00 C ATOM 465 CG1 VAL A 35 -6.482 23.562 -15.628 1.00 0.00 C ATOM 466 CG2 VAL A 35 -6.521 25.079 -13.635 1.00 0.00 C ATOM 0 H VAL A 35 -9.388 25.141 -14.862 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.631 22.415 -14.137 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.380 22.955 -13.589 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.408 23.728 -15.713 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.722 22.558 -15.976 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.012 24.294 -16.237 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.447 25.226 -13.747 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.052 25.851 -14.191 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.788 25.143 -12.580 1.00 0.00 H new ATOM 476 N HIS A 36 -8.625 23.098 -11.641 1.00 0.00 N ATOM 477 CA HIS A 36 -8.997 23.420 -10.267 1.00 0.00 C ATOM 478 C HIS A 36 -7.793 23.939 -9.486 1.00 0.00 C ATOM 479 O HIS A 36 -6.717 23.341 -9.516 1.00 0.00 O ATOM 480 CB HIS A 36 -9.578 22.189 -9.572 1.00 0.00 C ATOM 481 CG HIS A 36 -11.076 22.169 -9.543 1.00 0.00 C ATOM 482 ND1 HIS A 36 -11.839 23.294 -9.314 1.00 0.00 N ATOM 483 CD2 HIS A 36 -11.951 21.151 -9.718 1.00 0.00 C ATOM 484 CE1 HIS A 36 -13.119 22.969 -9.348 1.00 0.00 C ATOM 485 NE2 HIS A 36 -13.214 21.675 -9.592 1.00 0.00 N ATOM 0 H HIS A 36 -8.178 22.188 -11.755 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.755 24.203 -10.296 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.221 21.293 -10.079 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.202 22.148 -8.550 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.702 20.119 -9.919 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -13.947 23.647 -9.201 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -14.084 21.150 -9.674 1.00 0.00 H new ATOM 493 N TYR A 37 -7.982 25.054 -8.789 1.00 0.00 N ATOM 494 CA TYR A 37 -6.911 25.654 -8.003 1.00 0.00 C ATOM 495 C TYR A 37 -7.304 25.750 -6.532 1.00 0.00 C ATOM 496 O TYR A 37 -8.469 25.971 -6.200 1.00 0.00 O ATOM 497 CB TYR A 37 -6.572 27.045 -8.543 1.00 0.00 C ATOM 498 CG TYR A 37 -7.647 28.075 -8.282 1.00 0.00 C ATOM 499 CD1 TYR A 37 -7.703 28.758 -7.073 1.00 0.00 C ATOM 500 CD2 TYR A 37 -8.607 28.365 -9.243 1.00 0.00 C ATOM 501 CE1 TYR A 37 -8.684 29.699 -6.829 1.00 0.00 C ATOM 502 CE2 TYR A 37 -9.591 29.307 -9.009 1.00 0.00 C ATOM 503 CZ TYR A 37 -9.625 29.971 -7.800 1.00 0.00 C ATOM 504 OH TYR A 37 -10.604 30.908 -7.562 1.00 0.00 O ATOM 0 H TYR A 37 -8.867 25.560 -8.752 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.032 25.015 -8.085 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.639 27.383 -8.091 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.400 26.976 -9.617 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.967 28.549 -6.311 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.584 27.845 -10.190 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -8.714 30.219 -5.883 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.329 29.522 -9.768 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.185 30.980 -8.348 1.00 0.00 H new ATOM 514 N THR A 38 -6.321 25.582 -5.652 1.00 0.00 N ATOM 515 CA THR A 38 -6.561 25.649 -4.216 1.00 0.00 C ATOM 516 C THR A 38 -5.473 26.453 -3.513 1.00 0.00 C ATOM 517 O THR A 38 -4.308 26.415 -3.906 1.00 0.00 O ATOM 518 CB THR A 38 -6.628 24.242 -3.592 1.00 0.00 C ATOM 519 OG1 THR A 38 -6.603 23.248 -4.622 1.00 0.00 O ATOM 520 CG2 THR A 38 -7.889 24.081 -2.756 1.00 0.00 C ATOM 0 H THR A 38 -5.351 25.399 -5.909 1.00 0.00 H new ATOM 0 HA THR A 38 -7.521 26.146 -4.079 1.00 0.00 H new ATOM 0 HB THR A 38 -5.762 24.114 -2.943 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.476 22.363 -4.220 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.915 23.080 -2.325 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.892 24.821 -1.955 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.765 24.227 -3.388 1.00 0.00 H new ATOM 528 N GLY A 39 -5.861 27.180 -2.470 1.00 0.00 N ATOM 529 CA GLY A 39 -4.906 27.982 -1.728 1.00 0.00 C ATOM 530 C GLY A 39 -4.725 27.498 -0.304 1.00 0.00 C ATOM 531 O GLY A 39 -5.693 27.381 0.447 1.00 0.00 O ATOM 0 H GLY A 39 -6.820 27.228 -2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.944 27.962 -2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.239 29.020 -1.716 1.00 0.00 H new ATOM 535 N TRP A 40 -3.482 27.215 0.069 1.00 0.00 N ATOM 536 CA TRP A 40 -3.178 26.739 1.414 1.00 0.00 C ATOM 537 C TRP A 40 -2.012 27.516 2.016 1.00 0.00 C ATOM 538 O TRP A 40 -1.003 27.754 1.351 1.00 0.00 O ATOM 539 CB TRP A 40 -2.851 25.245 1.386 1.00 0.00 C ATOM 540 CG TRP A 40 -4.044 24.381 1.110 1.00 0.00 C ATOM 541 CD1 TRP A 40 -5.283 24.489 1.674 1.00 0.00 C ATOM 542 CD2 TRP A 40 -4.109 23.276 0.202 1.00 0.00 C ATOM 543 NE1 TRP A 40 -6.115 23.518 1.171 1.00 0.00 N ATOM 544 CE2 TRP A 40 -5.419 22.762 0.266 1.00 0.00 C ATOM 545 CE3 TRP A 40 -3.190 22.673 -0.661 1.00 0.00 C ATOM 546 CZ2 TRP A 40 -5.829 21.673 -0.499 1.00 0.00 C ATOM 547 CZ3 TRP A 40 -3.599 21.592 -1.419 1.00 0.00 C ATOM 548 CH2 TRP A 40 -4.908 21.101 -1.335 1.00 0.00 C ATOM 0 H TRP A 40 -2.669 27.307 -0.540 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.058 26.900 2.037 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.094 25.060 0.624 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.417 24.957 2.344 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.567 25.229 2.408 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -7.092 23.382 1.430 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.179 23.045 -0.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -6.838 21.293 -0.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.897 21.117 -2.088 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.196 20.255 -1.941 1.00 0.00 H new ATOM 559 N LEU A 41 -2.156 27.909 3.277 1.00 0.00 N ATOM 560 CA LEU A 41 -1.114 28.659 3.968 1.00 0.00 C ATOM 561 C LEU A 41 0.016 27.737 4.415 1.00 0.00 C ATOM 562 O LEU A 41 -0.081 26.515 4.295 1.00 0.00 O ATOM 563 CB LEU A 41 -1.701 29.389 5.178 1.00 0.00 C ATOM 564 CG LEU A 41 -2.123 30.841 4.946 1.00 0.00 C ATOM 565 CD1 LEU A 41 -2.752 31.420 6.204 1.00 0.00 C ATOM 566 CD2 LEU A 41 -0.931 31.679 4.509 1.00 0.00 C ATOM 0 H LEU A 41 -2.984 27.720 3.841 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.706 29.392 3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.569 28.831 5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.965 29.370 5.981 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.867 30.861 4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.046 32.453 6.021 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.631 30.835 6.474 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.030 31.387 7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.250 32.709 4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.164 31.653 5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.524 31.276 3.582 1.00 0.00 H new ATOM 578 N THR A 42 1.087 28.330 4.934 1.00 0.00 N ATOM 579 CA THR A 42 2.234 27.563 5.400 1.00 0.00 C ATOM 580 C THR A 42 1.808 26.479 6.384 1.00 0.00 C ATOM 581 O THR A 42 2.265 25.339 6.303 1.00 0.00 O ATOM 582 CB THR A 42 3.281 28.470 6.075 1.00 0.00 C ATOM 583 OG1 THR A 42 2.728 29.062 7.255 1.00 0.00 O ATOM 584 CG2 THR A 42 3.743 29.563 5.122 1.00 0.00 C ATOM 0 H THR A 42 1.183 29.340 5.042 1.00 0.00 H new ATOM 0 HA THR A 42 2.680 27.098 4.521 1.00 0.00 H new ATOM 0 HB THR A 42 4.141 27.857 6.346 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.400 29.636 7.679 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.482 30.191 5.620 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.189 29.109 4.237 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.889 30.172 4.826 1.00 0.00 H new ATOM 592 N ASP A 43 0.931 26.843 7.314 1.00 0.00 N ATOM 593 CA ASP A 43 0.442 25.900 8.313 1.00 0.00 C ATOM 594 C ASP A 43 -0.624 24.984 7.720 1.00 0.00 C ATOM 595 O ASP A 43 -0.938 23.936 8.283 1.00 0.00 O ATOM 596 CB ASP A 43 -0.127 26.652 9.518 1.00 0.00 C ATOM 597 CG ASP A 43 0.879 27.604 10.134 1.00 0.00 C ATOM 598 OD1 ASP A 43 2.020 27.172 10.398 1.00 0.00 O ATOM 599 OD2 ASP A 43 0.524 28.781 10.351 1.00 0.00 O ATOM 0 H ASP A 43 0.545 27.783 7.397 1.00 0.00 H new ATOM 0 HA ASP A 43 1.281 25.286 8.640 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.010 27.211 9.210 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.451 25.934 10.271 1.00 0.00 H new ATOM 604 N GLY A 44 -1.177 25.387 6.580 1.00 0.00 N ATOM 605 CA GLY A 44 -2.202 24.591 5.931 1.00 0.00 C ATOM 606 C GLY A 44 -3.528 25.319 5.837 1.00 0.00 C ATOM 607 O GLY A 44 -4.434 24.880 5.129 1.00 0.00 O ATOM 0 H GLY A 44 -0.933 26.250 6.095 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.868 24.320 4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.340 23.661 6.483 1.00 0.00 H new ATOM 611 N GLN A 45 -3.643 26.432 6.553 1.00 0.00 N ATOM 612 CA GLN A 45 -4.870 27.220 6.549 1.00 0.00 C ATOM 613 C GLN A 45 -5.308 27.537 5.123 1.00 0.00 C ATOM 614 O GLN A 45 -4.632 28.275 4.404 1.00 0.00 O ATOM 615 CB GLN A 45 -4.670 28.517 7.335 1.00 0.00 C ATOM 616 CG GLN A 45 -5.950 29.055 7.955 1.00 0.00 C ATOM 617 CD GLN A 45 -5.740 30.373 8.674 1.00 0.00 C ATOM 618 OE1 GLN A 45 -6.269 31.408 8.266 1.00 0.00 O ATOM 619 NE2 GLN A 45 -4.965 30.343 9.752 1.00 0.00 N ATOM 0 H GLN A 45 -2.902 26.809 7.143 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.653 26.631 7.027 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.938 28.345 8.124 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.251 29.274 6.671 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.700 29.186 7.175 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.346 28.321 8.657 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.547 29.463 10.055 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.788 31.199 10.277 1.00 0.00 H new ATOM 628 N LYS A 46 -6.442 26.976 4.719 1.00 0.00 N ATOM 629 CA LYS A 46 -6.972 27.199 3.379 1.00 0.00 C ATOM 630 C LYS A 46 -7.567 28.598 3.256 1.00 0.00 C ATOM 631 O LYS A 46 -8.301 29.051 4.134 1.00 0.00 O ATOM 632 CB LYS A 46 -8.036 26.150 3.048 1.00 0.00 C ATOM 633 CG LYS A 46 -8.367 26.066 1.568 1.00 0.00 C ATOM 634 CD LYS A 46 -9.778 25.549 1.341 1.00 0.00 C ATOM 635 CE LYS A 46 -9.798 24.036 1.188 1.00 0.00 C ATOM 636 NZ LYS A 46 -11.139 23.539 0.772 1.00 0.00 N ATOM 0 H LYS A 46 -7.013 26.363 5.301 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.149 27.109 2.670 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.691 25.174 3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.946 26.380 3.603 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.262 27.051 1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.653 25.409 1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.412 25.840 2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.197 26.012 0.448 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.054 23.736 0.450 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.515 23.572 2.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.253 22.551 1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.878 24.124 1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.224 23.595 -0.263 1.00 0.00 H new ATOM 650 N PHE A 47 -7.247 29.278 2.159 1.00 0.00 N ATOM 651 CA PHE A 47 -7.751 30.625 1.921 1.00 0.00 C ATOM 652 C PHE A 47 -8.231 30.780 0.481 1.00 0.00 C ATOM 653 O PHE A 47 -8.293 31.889 -0.049 1.00 0.00 O ATOM 654 CB PHE A 47 -6.664 31.660 2.222 1.00 0.00 C ATOM 655 CG PHE A 47 -5.403 31.451 1.433 1.00 0.00 C ATOM 656 CD1 PHE A 47 -5.278 31.966 0.153 1.00 0.00 C ATOM 657 CD2 PHE A 47 -4.343 30.740 1.972 1.00 0.00 C ATOM 658 CE1 PHE A 47 -4.119 31.774 -0.576 1.00 0.00 C ATOM 659 CE2 PHE A 47 -3.181 30.546 1.248 1.00 0.00 C ATOM 660 CZ PHE A 47 -3.069 31.065 -0.027 1.00 0.00 C ATOM 0 H PHE A 47 -6.641 28.918 1.422 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.597 30.792 2.588 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.054 32.656 2.012 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.427 31.628 3.286 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.095 32.524 -0.280 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.425 30.333 2.969 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.035 32.178 -1.574 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.362 29.989 1.679 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.162 30.917 -0.594 1.00 0.00 H new ATOM 670 N ASP A 48 -8.568 29.659 -0.147 1.00 0.00 N ATOM 671 CA ASP A 48 -9.043 29.668 -1.526 1.00 0.00 C ATOM 672 C ASP A 48 -9.371 28.254 -1.997 1.00 0.00 C ATOM 673 O ASP A 48 -8.555 27.342 -1.868 1.00 0.00 O ATOM 674 CB ASP A 48 -7.994 30.295 -2.445 1.00 0.00 C ATOM 675 CG ASP A 48 -8.471 31.591 -3.069 1.00 0.00 C ATOM 676 OD1 ASP A 48 -9.683 31.707 -3.345 1.00 0.00 O ATOM 677 OD2 ASP A 48 -7.631 32.491 -3.281 1.00 0.00 O ATOM 0 H ASP A 48 -8.521 28.732 0.277 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.954 30.265 -1.567 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.083 30.483 -1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.738 29.588 -3.234 1.00 0.00 H new ATOM 682 N SER A 49 -10.571 28.081 -2.542 1.00 0.00 N ATOM 683 CA SER A 49 -11.009 26.778 -3.028 1.00 0.00 C ATOM 684 C SER A 49 -12.042 26.932 -4.140 1.00 0.00 C ATOM 685 O SER A 49 -13.234 27.089 -3.878 1.00 0.00 O ATOM 686 CB SER A 49 -11.596 25.954 -1.881 1.00 0.00 C ATOM 687 OG SER A 49 -12.615 25.086 -2.347 1.00 0.00 O ATOM 0 H SER A 49 -11.257 28.827 -2.658 1.00 0.00 H new ATOM 0 HA SER A 49 -10.141 26.258 -3.433 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.807 25.371 -1.406 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.002 26.621 -1.120 1.00 0.00 H new ATOM 0 HG SER A 49 -13.351 25.616 -2.719 1.00 0.00 H new ATOM 693 N SER A 50 -11.575 26.886 -5.384 1.00 0.00 N ATOM 694 CA SER A 50 -12.457 27.024 -6.537 1.00 0.00 C ATOM 695 C SER A 50 -13.580 25.993 -6.489 1.00 0.00 C ATOM 696 O SER A 50 -14.656 26.203 -7.049 1.00 0.00 O ATOM 697 CB SER A 50 -11.662 26.869 -7.835 1.00 0.00 C ATOM 698 OG SER A 50 -12.067 27.825 -8.799 1.00 0.00 O ATOM 0 H SER A 50 -10.591 26.754 -5.619 1.00 0.00 H new ATOM 0 HA SER A 50 -12.900 28.019 -6.507 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.598 26.984 -7.629 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.803 25.864 -8.233 1.00 0.00 H new ATOM 0 HG SER A 50 -11.483 28.610 -8.747 1.00 0.00 H new ATOM 704 N LYS A 51 -13.321 24.877 -5.815 1.00 0.00 N ATOM 705 CA LYS A 51 -14.309 23.812 -5.691 1.00 0.00 C ATOM 706 C LYS A 51 -15.543 24.299 -4.938 1.00 0.00 C ATOM 707 O LYS A 51 -16.612 23.693 -5.021 1.00 0.00 O ATOM 708 CB LYS A 51 -13.701 22.607 -4.969 1.00 0.00 C ATOM 709 CG LYS A 51 -12.811 21.753 -5.855 1.00 0.00 C ATOM 710 CD LYS A 51 -11.383 22.273 -5.878 1.00 0.00 C ATOM 711 CE LYS A 51 -10.380 21.142 -6.044 1.00 0.00 C ATOM 712 NZ LYS A 51 -10.191 20.379 -4.779 1.00 0.00 N ATOM 0 H LYS A 51 -12.435 24.687 -5.346 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.612 23.513 -6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.120 22.960 -4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.506 21.988 -4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.819 20.724 -5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.211 21.740 -6.869 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.267 22.986 -6.695 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.176 22.811 -4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.721 20.466 -6.828 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.423 21.550 -6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.405 19.707 -4.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.973 21.039 -4.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.062 19.858 -4.554 1.00 0.00 H new ATOM 726 N ASP A 52 -15.389 25.397 -4.207 1.00 0.00 N ATOM 727 CA ASP A 52 -16.492 25.967 -3.442 1.00 0.00 C ATOM 728 C ASP A 52 -17.696 26.233 -4.340 1.00 0.00 C ATOM 729 O ASP A 52 -18.832 25.925 -3.978 1.00 0.00 O ATOM 730 CB ASP A 52 -16.052 27.264 -2.761 1.00 0.00 C ATOM 731 CG ASP A 52 -17.221 28.048 -2.198 1.00 0.00 C ATOM 732 OD1 ASP A 52 -17.589 27.808 -1.029 1.00 0.00 O ATOM 733 OD2 ASP A 52 -17.767 28.902 -2.927 1.00 0.00 O ATOM 0 H ASP A 52 -14.511 25.910 -4.128 1.00 0.00 H new ATOM 0 HA ASP A 52 -16.783 25.245 -2.679 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.354 27.030 -1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.515 27.884 -3.479 1.00 0.00 H new ATOM 738 N ARG A 53 -17.439 26.807 -5.510 1.00 0.00 N ATOM 739 CA ARG A 53 -18.502 27.116 -6.459 1.00 0.00 C ATOM 740 C ARG A 53 -18.963 25.858 -7.189 1.00 0.00 C ATOM 741 O ARG A 53 -19.910 25.895 -7.973 1.00 0.00 O ATOM 742 CB ARG A 53 -18.025 28.159 -7.471 1.00 0.00 C ATOM 743 CG ARG A 53 -19.097 29.160 -7.866 1.00 0.00 C ATOM 744 CD ARG A 53 -19.302 30.213 -6.788 1.00 0.00 C ATOM 745 NE ARG A 53 -20.325 29.817 -5.824 1.00 0.00 N ATOM 746 CZ ARG A 53 -20.537 30.450 -4.675 1.00 0.00 C ATOM 747 NH1 ARG A 53 -19.801 31.504 -4.350 1.00 0.00 N ATOM 748 NH2 ARG A 53 -21.487 30.029 -3.850 1.00 0.00 N ATOM 0 H ARG A 53 -16.504 27.068 -5.824 1.00 0.00 H new ATOM 0 HA ARG A 53 -19.346 27.521 -5.900 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -17.175 28.697 -7.052 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -17.670 27.648 -8.366 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -18.816 29.645 -8.801 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -20.036 28.637 -8.048 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -18.360 30.386 -6.267 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -19.588 31.157 -7.253 1.00 0.00 H new ATOM 0 HE ARG A 53 -20.909 29.010 -6.045 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -19.070 31.830 -4.982 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -19.965 31.988 -3.468 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -22.055 29.219 -4.098 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -21.649 30.515 -2.968 1.00 0.00 H new ATOM 762 N ASN A 54 -18.285 24.745 -6.925 1.00 0.00 N ATOM 763 CA ASN A 54 -18.624 23.476 -7.558 1.00 0.00 C ATOM 764 C ASN A 54 -18.414 23.547 -9.067 1.00 0.00 C ATOM 765 O ASN A 54 -19.175 22.961 -9.838 1.00 0.00 O ATOM 766 CB ASN A 54 -20.075 23.100 -7.250 1.00 0.00 C ATOM 767 CG ASN A 54 -20.400 23.211 -5.773 1.00 0.00 C ATOM 768 OD1 ASN A 54 -19.619 22.788 -4.921 1.00 0.00 O ATOM 769 ND2 ASN A 54 -21.559 23.781 -5.464 1.00 0.00 N ATOM 0 H ASN A 54 -17.498 24.697 -6.278 1.00 0.00 H new ATOM 0 HA ASN A 54 -17.963 22.709 -7.154 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -20.744 23.749 -7.816 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -20.262 22.080 -7.585 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -21.833 23.883 -4.487 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -22.175 24.117 -6.204 1.00 0.00 H new ATOM 776 N ASP A 55 -17.378 24.267 -9.481 1.00 0.00 N ATOM 777 CA ASP A 55 -17.066 24.414 -10.898 1.00 0.00 C ATOM 778 C ASP A 55 -15.583 24.706 -11.101 1.00 0.00 C ATOM 779 O ASP A 55 -14.940 25.375 -10.292 1.00 0.00 O ATOM 780 CB ASP A 55 -17.908 25.533 -11.514 1.00 0.00 C ATOM 781 CG ASP A 55 -18.672 25.074 -12.741 1.00 0.00 C ATOM 782 OD1 ASP A 55 -19.465 24.117 -12.622 1.00 0.00 O ATOM 783 OD2 ASP A 55 -18.478 25.673 -13.819 1.00 0.00 O ATOM 0 H ASP A 55 -16.739 24.758 -8.856 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.304 23.474 -11.396 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.612 25.906 -10.770 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.259 26.366 -11.784 1.00 0.00 H new ATOM 788 N PRO A 56 -15.024 24.192 -12.207 1.00 0.00 N ATOM 789 CA PRO A 56 -13.610 24.384 -12.542 1.00 0.00 C ATOM 790 C PRO A 56 -13.297 25.824 -12.935 1.00 0.00 C ATOM 791 O PRO A 56 -14.202 26.614 -13.206 1.00 0.00 O ATOM 792 CB PRO A 56 -13.396 23.446 -13.733 1.00 0.00 C ATOM 793 CG PRO A 56 -14.745 23.305 -14.350 1.00 0.00 C ATOM 794 CD PRO A 56 -15.730 23.384 -13.216 1.00 0.00 C ATOM 0 HA PRO A 56 -12.959 24.173 -11.694 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.678 23.861 -14.440 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.005 22.481 -13.412 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -14.925 24.095 -15.079 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.835 22.356 -14.879 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -16.663 23.854 -13.526 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.983 22.395 -12.834 1.00 0.00 H new ATOM 802 N PHE A 57 -12.011 26.159 -12.964 1.00 0.00 N ATOM 803 CA PHE A 57 -11.580 27.504 -13.323 1.00 0.00 C ATOM 804 C PHE A 57 -11.017 27.534 -14.741 1.00 0.00 C ATOM 805 O PHE A 57 -9.900 27.080 -14.987 1.00 0.00 O ATOM 806 CB PHE A 57 -10.526 28.007 -12.334 1.00 0.00 C ATOM 807 CG PHE A 57 -9.958 29.349 -12.694 1.00 0.00 C ATOM 808 CD1 PHE A 57 -10.790 30.388 -13.079 1.00 0.00 C ATOM 809 CD2 PHE A 57 -8.591 29.573 -12.647 1.00 0.00 C ATOM 810 CE1 PHE A 57 -10.268 31.624 -13.412 1.00 0.00 C ATOM 811 CE2 PHE A 57 -8.064 30.807 -12.978 1.00 0.00 C ATOM 812 CZ PHE A 57 -8.904 31.834 -13.360 1.00 0.00 C ATOM 0 H PHE A 57 -11.250 25.517 -12.743 1.00 0.00 H new ATOM 0 HA PHE A 57 -12.450 28.160 -13.281 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -10.970 28.064 -11.340 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.715 27.281 -12.279 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.858 30.231 -13.119 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.929 28.773 -12.348 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.927 32.425 -13.713 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.997 30.968 -12.938 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.495 32.800 -13.618 1.00 0.00 H new ATOM 822 N ALA A 58 -11.800 28.072 -15.671 1.00 0.00 N ATOM 823 CA ALA A 58 -11.381 28.163 -17.064 1.00 0.00 C ATOM 824 C ALA A 58 -10.689 29.493 -17.343 1.00 0.00 C ATOM 825 O ALA A 58 -11.288 30.559 -17.199 1.00 0.00 O ATOM 826 CB ALA A 58 -12.576 27.984 -17.988 1.00 0.00 C ATOM 0 H ALA A 58 -12.728 28.451 -15.484 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.665 27.363 -17.255 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.248 28.054 -19.025 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.026 27.006 -17.815 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.312 28.763 -17.787 1.00 0.00 H new ATOM 832 N PHE A 59 -9.423 29.424 -17.742 1.00 0.00 N ATOM 833 CA PHE A 59 -8.649 30.623 -18.040 1.00 0.00 C ATOM 834 C PHE A 59 -7.725 30.392 -19.233 1.00 0.00 C ATOM 835 O PHE A 59 -7.330 29.261 -19.516 1.00 0.00 O ATOM 836 CB PHE A 59 -7.828 31.042 -16.819 1.00 0.00 C ATOM 837 CG PHE A 59 -6.637 30.162 -16.566 1.00 0.00 C ATOM 838 CD1 PHE A 59 -6.757 29.017 -15.795 1.00 0.00 C ATOM 839 CD2 PHE A 59 -5.399 30.479 -17.100 1.00 0.00 C ATOM 840 CE1 PHE A 59 -5.662 28.206 -15.560 1.00 0.00 C ATOM 841 CE2 PHE A 59 -4.301 29.672 -16.869 1.00 0.00 C ATOM 842 CZ PHE A 59 -4.433 28.533 -16.099 1.00 0.00 C ATOM 0 H PHE A 59 -8.912 28.550 -17.866 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.346 31.422 -18.292 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.489 32.069 -16.955 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.470 31.032 -15.939 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.716 28.755 -15.373 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.290 31.368 -17.704 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.768 27.317 -14.955 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.341 29.932 -17.290 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.577 27.899 -15.919 1.00 0.00 H new ATOM 852 N VAL A 60 -7.386 31.472 -19.929 1.00 0.00 N ATOM 853 CA VAL A 60 -6.509 31.389 -21.091 1.00 0.00 C ATOM 854 C VAL A 60 -5.044 31.332 -20.671 1.00 0.00 C ATOM 855 O VAL A 60 -4.521 32.274 -20.074 1.00 0.00 O ATOM 856 CB VAL A 60 -6.714 32.587 -22.036 1.00 0.00 C ATOM 857 CG1 VAL A 60 -5.876 32.425 -23.295 1.00 0.00 C ATOM 858 CG2 VAL A 60 -8.187 32.745 -22.383 1.00 0.00 C ATOM 0 H VAL A 60 -7.705 32.415 -19.708 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.769 30.471 -21.618 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.385 33.491 -21.524 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.034 33.282 -23.950 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.822 32.365 -23.025 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.171 31.512 -23.813 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.314 33.596 -23.052 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.544 31.840 -22.875 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.760 32.912 -21.471 1.00 0.00 H new ATOM 868 N LEU A 61 -4.387 30.222 -20.987 1.00 0.00 N ATOM 869 CA LEU A 61 -2.980 30.041 -20.644 1.00 0.00 C ATOM 870 C LEU A 61 -2.095 30.969 -21.469 1.00 0.00 C ATOM 871 O LEU A 61 -2.150 30.965 -22.698 1.00 0.00 O ATOM 872 CB LEU A 61 -2.563 28.587 -20.867 1.00 0.00 C ATOM 873 CG LEU A 61 -1.060 28.329 -20.975 1.00 0.00 C ATOM 874 CD1 LEU A 61 -0.317 29.024 -19.844 1.00 0.00 C ATOM 875 CD2 LEU A 61 -0.773 26.834 -20.964 1.00 0.00 C ATOM 0 H LEU A 61 -4.805 29.433 -21.480 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.853 30.291 -19.591 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.956 27.987 -20.046 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.039 28.229 -21.780 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.707 28.740 -21.921 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.751 28.829 -19.937 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.496 30.098 -19.897 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.673 28.643 -18.887 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.302 26.669 -21.042 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.140 26.400 -20.034 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.275 26.361 -21.808 1.00 0.00 H new ATOM 887 N GLY A 62 -1.276 31.762 -20.784 1.00 0.00 N ATOM 888 CA GLY A 62 -0.389 32.682 -21.471 1.00 0.00 C ATOM 889 C GLY A 62 -1.011 34.051 -21.667 1.00 0.00 C ATOM 890 O GLY A 62 -0.613 34.799 -22.558 1.00 0.00 O ATOM 0 H GLY A 62 -1.211 31.783 -19.766 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.535 32.784 -20.902 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.121 32.266 -22.442 1.00 0.00 H new ATOM 894 N GLY A 63 -1.993 34.378 -20.832 1.00 0.00 N ATOM 895 CA GLY A 63 -2.657 35.664 -20.935 1.00 0.00 C ATOM 896 C GLY A 63 -2.127 36.672 -19.935 1.00 0.00 C ATOM 897 O GLY A 63 -0.945 37.012 -19.953 1.00 0.00 O ATOM 0 H GLY A 63 -2.340 33.775 -20.086 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.529 36.056 -21.944 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.727 35.530 -20.779 1.00 0.00 H new ATOM 901 N GLY A 64 -3.005 37.154 -19.061 1.00 0.00 N ATOM 902 CA GLY A 64 -2.600 38.126 -18.062 1.00 0.00 C ATOM 903 C GLY A 64 -3.530 38.149 -16.865 1.00 0.00 C ATOM 904 O GLY A 64 -3.823 39.212 -16.318 1.00 0.00 O ATOM 0 H GLY A 64 -3.989 36.889 -19.027 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.588 37.898 -17.728 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.571 39.117 -18.515 1.00 0.00 H new ATOM 908 N MET A 65 -3.996 36.973 -16.458 1.00 0.00 N ATOM 909 CA MET A 65 -4.899 36.863 -15.318 1.00 0.00 C ATOM 910 C MET A 65 -4.379 35.844 -14.309 1.00 0.00 C ATOM 911 O MET A 65 -5.149 35.266 -13.542 1.00 0.00 O ATOM 912 CB MET A 65 -6.300 36.465 -15.786 1.00 0.00 C ATOM 913 CG MET A 65 -7.097 37.621 -16.368 1.00 0.00 C ATOM 914 SD MET A 65 -7.816 38.679 -15.097 1.00 0.00 S ATOM 915 CE MET A 65 -8.802 39.790 -16.098 1.00 0.00 C ATOM 0 H MET A 65 -3.764 36.084 -16.900 1.00 0.00 H new ATOM 0 HA MET A 65 -4.950 37.837 -14.831 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.214 35.679 -16.537 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.849 36.043 -14.944 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.448 38.219 -17.008 1.00 0.00 H new ATOM 0 HG3 MET A 65 -7.893 37.227 -17.000 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.310 40.507 -15.453 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.155 40.324 -16.794 1.00 0.00 H new ATOM 0 HE3 MET A 65 -9.542 39.217 -16.657 1.00 0.00 H new ATOM 925 N VAL A 66 -3.067 35.627 -14.315 1.00 0.00 N ATOM 926 CA VAL A 66 -2.444 34.678 -13.401 1.00 0.00 C ATOM 927 C VAL A 66 -1.040 35.128 -13.014 1.00 0.00 C ATOM 928 O VAL A 66 -0.564 36.169 -13.468 1.00 0.00 O ATOM 929 CB VAL A 66 -2.368 33.270 -14.019 1.00 0.00 C ATOM 930 CG1 VAL A 66 -3.741 32.821 -14.495 1.00 0.00 C ATOM 931 CG2 VAL A 66 -1.364 33.243 -15.161 1.00 0.00 C ATOM 0 H VAL A 66 -2.415 36.096 -14.944 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.069 34.641 -12.509 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.030 32.573 -13.252 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.668 31.824 -14.929 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.430 32.800 -13.650 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.111 33.518 -15.247 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.323 32.240 -15.586 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.670 33.951 -15.931 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.378 33.518 -14.786 1.00 0.00 H new ATOM 941 N ILE A 67 -0.381 34.337 -12.174 1.00 0.00 N ATOM 942 CA ILE A 67 0.970 34.653 -11.728 1.00 0.00 C ATOM 943 C ILE A 67 2.005 33.820 -12.476 1.00 0.00 C ATOM 944 O ILE A 67 1.671 32.825 -13.119 1.00 0.00 O ATOM 945 CB ILE A 67 1.133 34.416 -10.215 1.00 0.00 C ATOM 946 CG1 ILE A 67 1.241 32.919 -9.920 1.00 0.00 C ATOM 947 CG2 ILE A 67 -0.033 35.029 -9.454 1.00 0.00 C ATOM 948 CD1 ILE A 67 1.323 32.598 -8.444 1.00 0.00 C ATOM 0 H ILE A 67 -0.761 33.472 -11.789 1.00 0.00 H new ATOM 0 HA ILE A 67 1.134 35.709 -11.942 1.00 0.00 H new ATOM 0 HB ILE A 67 2.052 34.900 -9.883 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.377 32.410 -10.347 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.124 32.521 -10.420 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.097 34.853 -8.386 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.067 36.102 -9.643 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.965 34.572 -9.786 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.398 31.519 -8.310 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.203 33.079 -8.015 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.428 32.965 -7.942 1.00 0.00 H new ATOM 960 N LYS A 68 3.265 34.233 -12.388 1.00 0.00 N ATOM 961 CA LYS A 68 4.351 33.525 -13.053 1.00 0.00 C ATOM 962 C LYS A 68 4.286 32.029 -12.760 1.00 0.00 C ATOM 963 O LYS A 68 4.321 31.205 -13.673 1.00 0.00 O ATOM 964 CB LYS A 68 5.703 34.084 -12.604 1.00 0.00 C ATOM 965 CG LYS A 68 5.805 34.299 -11.104 1.00 0.00 C ATOM 966 CD LYS A 68 6.308 35.694 -10.773 1.00 0.00 C ATOM 967 CE LYS A 68 7.711 35.924 -11.315 1.00 0.00 C ATOM 968 NZ LYS A 68 8.269 37.231 -10.871 1.00 0.00 N ATOM 0 H LYS A 68 3.559 35.056 -11.862 1.00 0.00 H new ATOM 0 HA LYS A 68 4.242 33.672 -14.127 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.492 33.401 -12.919 1.00 0.00 H new ATOM 0 HB3 LYS A 68 5.881 35.032 -13.111 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.828 34.146 -10.646 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.478 33.557 -10.674 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.629 36.436 -11.193 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.307 35.836 -9.692 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.365 35.118 -10.983 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.690 35.889 -12.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.302 37.226 -10.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.858 37.996 -11.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.038 37.385 -9.869 1.00 0.00 H new ATOM 982 N GLY A 69 4.189 31.685 -11.479 1.00 0.00 N ATOM 983 CA GLY A 69 4.119 30.289 -11.089 1.00 0.00 C ATOM 984 C GLY A 69 2.968 29.559 -11.753 1.00 0.00 C ATOM 985 O GLY A 69 3.045 28.354 -11.992 1.00 0.00 O ATOM 0 H GLY A 69 4.158 32.348 -10.705 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.056 29.795 -11.347 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.011 30.222 -10.006 1.00 0.00 H new ATOM 989 N TRP A 70 1.899 30.289 -12.050 1.00 0.00 N ATOM 990 CA TRP A 70 0.727 29.702 -12.690 1.00 0.00 C ATOM 991 C TRP A 70 1.018 29.354 -14.145 1.00 0.00 C ATOM 992 O TRP A 70 0.870 28.204 -14.559 1.00 0.00 O ATOM 993 CB TRP A 70 -0.459 30.665 -12.609 1.00 0.00 C ATOM 994 CG TRP A 70 -1.604 30.131 -11.803 1.00 0.00 C ATOM 995 CD1 TRP A 70 -2.823 29.736 -12.273 1.00 0.00 C ATOM 996 CD2 TRP A 70 -1.635 29.937 -10.385 1.00 0.00 C ATOM 997 NE1 TRP A 70 -3.612 29.307 -11.232 1.00 0.00 N ATOM 998 CE2 TRP A 70 -2.906 29.420 -10.063 1.00 0.00 C ATOM 999 CE3 TRP A 70 -0.714 30.147 -9.355 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -3.276 29.112 -8.757 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -1.083 29.841 -8.059 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -2.354 29.328 -7.769 1.00 0.00 C ATOM 0 H TRP A 70 1.819 31.288 -11.858 1.00 0.00 H new ATOM 0 HA TRP A 70 0.476 28.783 -12.160 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.124 31.606 -12.172 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -0.807 30.887 -13.618 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.124 29.757 -13.310 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.568 28.961 -11.316 1.00 0.00 H new ATOM 0 HE3 TRP A 70 0.269 30.541 -9.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -4.255 28.717 -8.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.379 30.000 -7.255 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.611 29.098 -6.746 1.00 0.00 H new ATOM 1013 N ASP A 71 1.431 30.353 -14.917 1.00 0.00 N ATOM 1014 CA ASP A 71 1.744 30.151 -16.327 1.00 0.00 C ATOM 1015 C ASP A 71 2.757 29.024 -16.503 1.00 0.00 C ATOM 1016 O ASP A 71 2.580 28.145 -17.347 1.00 0.00 O ATOM 1017 CB ASP A 71 2.288 31.442 -16.940 1.00 0.00 C ATOM 1018 CG ASP A 71 1.186 32.347 -17.457 1.00 0.00 C ATOM 1019 OD1 ASP A 71 0.292 31.845 -18.171 1.00 0.00 O ATOM 1020 OD2 ASP A 71 1.218 33.556 -17.147 1.00 0.00 O ATOM 0 H ASP A 71 1.557 31.311 -14.590 1.00 0.00 H new ATOM 0 HA ASP A 71 0.824 29.872 -16.842 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.873 31.977 -16.192 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.965 31.195 -17.758 1.00 0.00 H new ATOM 1025 N GLU A 72 3.817 29.056 -15.702 1.00 0.00 N ATOM 1026 CA GLU A 72 4.858 28.038 -15.771 1.00 0.00 C ATOM 1027 C GLU A 72 4.324 26.682 -15.319 1.00 0.00 C ATOM 1028 O GLU A 72 4.669 25.646 -15.885 1.00 0.00 O ATOM 1029 CB GLU A 72 6.055 28.441 -14.908 1.00 0.00 C ATOM 1030 CG GLU A 72 7.358 27.780 -15.327 1.00 0.00 C ATOM 1031 CD GLU A 72 8.018 28.482 -16.498 1.00 0.00 C ATOM 1032 OE1 GLU A 72 7.355 29.328 -17.133 1.00 0.00 O ATOM 1033 OE2 GLU A 72 9.198 28.184 -16.779 1.00 0.00 O ATOM 0 H GLU A 72 3.977 29.776 -14.998 1.00 0.00 H new ATOM 0 HA GLU A 72 5.180 27.954 -16.809 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.176 29.523 -14.952 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.846 28.186 -13.869 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.045 27.770 -14.480 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.165 26.741 -15.593 1.00 0.00 H new ATOM 1040 N GLY A 73 3.479 26.698 -14.292 1.00 0.00 N ATOM 1041 CA GLY A 73 2.911 25.465 -13.779 1.00 0.00 C ATOM 1042 C GLY A 73 2.029 24.766 -14.795 1.00 0.00 C ATOM 1043 O GLY A 73 2.245 23.598 -15.116 1.00 0.00 O ATOM 0 H GLY A 73 3.178 27.543 -13.806 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.717 24.795 -13.479 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.328 25.682 -12.884 1.00 0.00 H new ATOM 1047 N VAL A 74 1.031 25.483 -15.302 1.00 0.00 N ATOM 1048 CA VAL A 74 0.113 24.925 -16.287 1.00 0.00 C ATOM 1049 C VAL A 74 0.825 24.642 -17.605 1.00 0.00 C ATOM 1050 O VAL A 74 0.439 23.741 -18.349 1.00 0.00 O ATOM 1051 CB VAL A 74 -1.072 25.873 -16.550 1.00 0.00 C ATOM 1052 CG1 VAL A 74 -2.004 25.911 -15.348 1.00 0.00 C ATOM 1053 CG2 VAL A 74 -0.572 27.269 -16.891 1.00 0.00 C ATOM 0 H VAL A 74 0.838 26.451 -15.047 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.264 23.990 -15.873 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.634 25.494 -17.403 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.835 26.586 -15.553 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.389 24.910 -15.154 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.457 26.264 -14.474 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.423 27.926 -17.074 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.015 27.659 -16.059 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.050 27.224 -17.785 1.00 0.00 H new ATOM 1063 N GLN A 75 1.867 25.417 -17.886 1.00 0.00 N ATOM 1064 CA GLN A 75 2.634 25.249 -19.115 1.00 0.00 C ATOM 1065 C GLN A 75 3.158 23.822 -19.239 1.00 0.00 C ATOM 1066 O GLN A 75 3.434 23.346 -20.339 1.00 0.00 O ATOM 1067 CB GLN A 75 3.801 26.238 -19.152 1.00 0.00 C ATOM 1068 CG GLN A 75 3.525 27.473 -19.995 1.00 0.00 C ATOM 1069 CD GLN A 75 3.689 27.214 -21.480 1.00 0.00 C ATOM 1070 OE1 GLN A 75 3.265 26.177 -21.991 1.00 0.00 O ATOM 1071 NE2 GLN A 75 4.306 28.158 -22.181 1.00 0.00 N ATOM 0 H GLN A 75 2.200 26.167 -17.280 1.00 0.00 H new ATOM 0 HA GLN A 75 1.971 25.448 -19.957 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.036 26.548 -18.134 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.684 25.731 -19.543 1.00 0.00 H new ATOM 0 HG2 GLN A 75 2.511 27.822 -19.801 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.201 28.273 -19.693 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.641 29.002 -21.716 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.445 28.039 -23.185 1.00 0.00 H new ATOM 1080 N GLY A 76 3.292 23.145 -18.102 1.00 0.00 N ATOM 1081 CA GLY A 76 3.783 21.779 -18.106 1.00 0.00 C ATOM 1082 C GLY A 76 2.716 20.779 -17.707 1.00 0.00 C ATOM 1083 O GLY A 76 2.686 19.658 -18.214 1.00 0.00 O ATOM 0 H GLY A 76 3.069 23.518 -17.179 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.154 21.532 -19.101 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.627 21.698 -17.421 1.00 0.00 H new ATOM 1087 N MET A 77 1.839 21.184 -16.794 1.00 0.00 N ATOM 1088 CA MET A 77 0.766 20.314 -16.326 1.00 0.00 C ATOM 1089 C MET A 77 -0.010 19.729 -17.501 1.00 0.00 C ATOM 1090 O MET A 77 -0.104 20.343 -18.565 1.00 0.00 O ATOM 1091 CB MET A 77 -0.182 21.087 -15.407 1.00 0.00 C ATOM 1092 CG MET A 77 0.409 21.387 -14.039 1.00 0.00 C ATOM 1093 SD MET A 77 -0.249 22.902 -13.316 1.00 0.00 S ATOM 1094 CE MET A 77 1.078 23.348 -12.199 1.00 0.00 C ATOM 0 H MET A 77 1.850 22.109 -16.364 1.00 0.00 H new ATOM 0 HA MET A 77 1.215 19.494 -15.765 1.00 0.00 H new ATOM 0 HB2 MET A 77 -0.457 22.025 -15.889 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.100 20.513 -15.279 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.207 20.551 -13.369 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.492 21.471 -14.126 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.024 24.414 -11.977 1.00 0.00 H new ATOM 0 HE2 MET A 77 0.982 22.779 -11.274 1.00 0.00 H new ATOM 0 HE3 MET A 77 2.037 23.123 -12.665 1.00 0.00 H new ATOM 1104 N LYS A 78 -0.567 18.539 -17.304 1.00 0.00 N ATOM 1105 CA LYS A 78 -1.336 17.871 -18.346 1.00 0.00 C ATOM 1106 C LYS A 78 -2.769 17.618 -17.887 1.00 0.00 C ATOM 1107 O LYS A 78 -3.075 17.707 -16.698 1.00 0.00 O ATOM 1108 CB LYS A 78 -0.671 16.547 -18.731 1.00 0.00 C ATOM 1109 CG LYS A 78 0.750 16.706 -19.242 1.00 0.00 C ATOM 1110 CD LYS A 78 1.230 15.453 -19.955 1.00 0.00 C ATOM 1111 CE LYS A 78 2.749 15.380 -19.992 1.00 0.00 C ATOM 1112 NZ LYS A 78 3.233 14.427 -21.028 1.00 0.00 N ATOM 0 H LYS A 78 -0.500 18.017 -16.430 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.362 18.524 -19.218 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.664 15.888 -17.863 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.271 16.058 -19.498 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.800 17.555 -19.924 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.415 16.928 -18.407 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.835 14.572 -19.450 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.839 15.440 -20.972 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.155 16.371 -20.192 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.122 15.074 -19.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.273 14.406 -21.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.866 13.476 -20.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.899 14.733 -21.964 1.00 0.00 H new ATOM 1126 N VAL A 79 -3.642 17.300 -18.837 1.00 0.00 N ATOM 1127 CA VAL A 79 -5.042 17.031 -18.530 1.00 0.00 C ATOM 1128 C VAL A 79 -5.173 15.931 -17.483 1.00 0.00 C ATOM 1129 O VAL A 79 -4.701 14.813 -17.679 1.00 0.00 O ATOM 1130 CB VAL A 79 -5.825 16.620 -19.791 1.00 0.00 C ATOM 1131 CG1 VAL A 79 -7.281 16.344 -19.450 1.00 0.00 C ATOM 1132 CG2 VAL A 79 -5.714 17.696 -20.861 1.00 0.00 C ATOM 0 H VAL A 79 -3.405 17.222 -19.826 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.463 17.956 -18.136 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.389 15.702 -20.185 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.818 16.055 -20.354 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.337 15.536 -18.721 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.733 17.243 -19.031 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.273 17.389 -21.745 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.123 18.632 -20.480 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.666 17.839 -21.126 1.00 0.00 H new ATOM 1142 N GLY A 80 -5.820 16.258 -16.367 1.00 0.00 N ATOM 1143 CA GLY A 80 -6.002 15.287 -15.304 1.00 0.00 C ATOM 1144 C GLY A 80 -4.808 15.214 -14.374 1.00 0.00 C ATOM 1145 O GLY A 80 -4.801 14.435 -13.422 1.00 0.00 O ATOM 0 H GLY A 80 -6.221 17.177 -16.181 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.891 15.545 -14.729 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.179 14.304 -15.741 1.00 0.00 H new ATOM 1149 N GLY A 81 -3.793 16.027 -14.652 1.00 0.00 N ATOM 1150 CA GLY A 81 -2.601 16.034 -13.824 1.00 0.00 C ATOM 1151 C GLY A 81 -2.752 16.912 -12.598 1.00 0.00 C ATOM 1152 O GLY A 81 -3.093 18.090 -12.706 1.00 0.00 O ATOM 0 H GLY A 81 -3.775 16.680 -15.435 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.374 15.015 -13.511 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.754 16.383 -14.415 1.00 0.00 H new ATOM 1156 N VAL A 82 -2.499 16.338 -11.426 1.00 0.00 N ATOM 1157 CA VAL A 82 -2.609 17.076 -10.173 1.00 0.00 C ATOM 1158 C VAL A 82 -1.253 17.198 -9.486 1.00 0.00 C ATOM 1159 O VAL A 82 -0.599 16.195 -9.199 1.00 0.00 O ATOM 1160 CB VAL A 82 -3.602 16.400 -9.209 1.00 0.00 C ATOM 1161 CG1 VAL A 82 -3.785 17.241 -7.955 1.00 0.00 C ATOM 1162 CG2 VAL A 82 -4.936 16.162 -9.900 1.00 0.00 C ATOM 0 H VAL A 82 -2.216 15.364 -11.318 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.977 18.071 -10.423 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.194 15.433 -8.913 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.490 16.748 -7.286 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.826 17.356 -7.451 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.171 18.223 -8.229 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.626 15.684 -9.205 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.352 17.115 -10.226 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.787 15.516 -10.765 1.00 0.00 H new ATOM 1172 N ARG A 83 -0.837 18.432 -9.225 1.00 0.00 N ATOM 1173 CA ARG A 83 0.441 18.686 -8.571 1.00 0.00 C ATOM 1174 C ARG A 83 0.362 19.924 -7.683 1.00 0.00 C ATOM 1175 O ARG A 83 -0.296 20.906 -8.028 1.00 0.00 O ATOM 1176 CB ARG A 83 1.545 18.863 -9.615 1.00 0.00 C ATOM 1177 CG ARG A 83 1.549 20.234 -10.270 1.00 0.00 C ATOM 1178 CD ARG A 83 2.325 20.225 -11.578 1.00 0.00 C ATOM 1179 NE ARG A 83 3.563 19.457 -11.475 1.00 0.00 N ATOM 1180 CZ ARG A 83 4.221 18.979 -12.525 1.00 0.00 C ATOM 1181 NH1 ARG A 83 3.762 19.189 -13.751 1.00 0.00 N ATOM 1182 NH2 ARG A 83 5.342 18.290 -12.350 1.00 0.00 N ATOM 0 H ARG A 83 -1.366 19.273 -9.456 1.00 0.00 H new ATOM 0 HA ARG A 83 0.677 17.826 -7.944 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.512 18.693 -9.141 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.430 18.101 -10.386 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.523 20.552 -10.457 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.990 20.962 -9.589 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.701 19.803 -12.366 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.557 21.250 -11.869 1.00 0.00 H new ATOM 0 HE ARG A 83 3.943 19.278 -10.546 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.902 19.719 -13.890 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.269 18.821 -14.556 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.699 18.127 -11.408 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.847 17.923 -13.157 1.00 0.00 H new ATOM 1196 N ARG A 84 1.038 19.870 -6.540 1.00 0.00 N ATOM 1197 CA ARG A 84 1.043 20.986 -5.602 1.00 0.00 C ATOM 1198 C ARG A 84 2.119 22.003 -5.972 1.00 0.00 C ATOM 1199 O ARG A 84 3.311 21.756 -5.785 1.00 0.00 O ATOM 1200 CB ARG A 84 1.272 20.481 -4.177 1.00 0.00 C ATOM 1201 CG ARG A 84 0.652 21.369 -3.109 1.00 0.00 C ATOM 1202 CD ARG A 84 0.337 20.583 -1.846 1.00 0.00 C ATOM 1203 NE ARG A 84 1.507 20.442 -0.983 1.00 0.00 N ATOM 1204 CZ ARG A 84 1.588 19.559 0.006 1.00 0.00 C ATOM 1205 NH1 ARG A 84 0.573 18.743 0.256 1.00 0.00 N ATOM 1206 NH2 ARG A 84 2.686 19.490 0.747 1.00 0.00 N ATOM 0 H ARG A 84 1.589 19.065 -6.241 1.00 0.00 H new ATOM 0 HA ARG A 84 0.071 21.476 -5.655 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.860 19.476 -4.086 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.344 20.404 -3.996 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.335 22.184 -2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.262 21.821 -3.495 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.460 21.084 -1.297 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.035 19.595 -2.117 1.00 0.00 H new ATOM 0 HE ARG A 84 2.305 21.055 -1.149 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.273 18.792 -0.312 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.638 18.066 1.016 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.469 20.115 0.558 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.747 18.812 1.506 1.00 0.00 H new ATOM 1220 N LEU A 85 1.691 23.145 -6.499 1.00 0.00 N ATOM 1221 CA LEU A 85 2.617 24.199 -6.896 1.00 0.00 C ATOM 1222 C LEU A 85 2.941 25.112 -5.718 1.00 0.00 C ATOM 1223 O LEU A 85 2.049 25.725 -5.130 1.00 0.00 O ATOM 1224 CB LEU A 85 2.026 25.019 -8.044 1.00 0.00 C ATOM 1225 CG LEU A 85 2.960 26.045 -8.686 1.00 0.00 C ATOM 1226 CD1 LEU A 85 3.618 25.464 -9.929 1.00 0.00 C ATOM 1227 CD2 LEU A 85 2.200 27.318 -9.029 1.00 0.00 C ATOM 0 H LEU A 85 0.708 23.364 -6.661 1.00 0.00 H new ATOM 0 HA LEU A 85 3.541 23.729 -7.232 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.687 24.331 -8.819 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.144 25.542 -7.674 1.00 0.00 H new ATOM 0 HG LEU A 85 3.742 26.295 -7.968 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.279 26.209 -10.372 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.197 24.582 -9.656 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.850 25.185 -10.651 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.881 28.037 -9.485 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.397 27.085 -9.728 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.777 27.745 -8.120 1.00 0.00 H new ATOM 1239 N THR A 86 4.223 25.200 -5.378 1.00 0.00 N ATOM 1240 CA THR A 86 4.665 26.039 -4.271 1.00 0.00 C ATOM 1241 C THR A 86 5.227 27.363 -4.775 1.00 0.00 C ATOM 1242 O THR A 86 6.192 27.388 -5.539 1.00 0.00 O ATOM 1243 CB THR A 86 5.737 25.329 -3.422 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.505 23.916 -3.421 1.00 0.00 O ATOM 1245 CG2 THR A 86 5.728 25.851 -1.993 1.00 0.00 C ATOM 0 H THR A 86 4.974 24.700 -5.854 1.00 0.00 H new ATOM 0 HA THR A 86 3.790 26.232 -3.651 1.00 0.00 H new ATOM 0 HB THR A 86 6.713 25.536 -3.861 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.192 23.472 -2.881 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.493 25.335 -1.412 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.934 26.921 -1.995 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.750 25.671 -1.546 1.00 0.00 H new ATOM 1253 N ILE A 87 4.617 28.462 -4.342 1.00 0.00 N ATOM 1254 CA ILE A 87 5.058 29.790 -4.748 1.00 0.00 C ATOM 1255 C ILE A 87 5.453 30.632 -3.540 1.00 0.00 C ATOM 1256 O ILE A 87 4.732 30.713 -2.546 1.00 0.00 O ATOM 1257 CB ILE A 87 3.963 30.530 -5.539 1.00 0.00 C ATOM 1258 CG1 ILE A 87 3.401 29.628 -6.640 1.00 0.00 C ATOM 1259 CG2 ILE A 87 4.515 31.818 -6.131 1.00 0.00 C ATOM 1260 CD1 ILE A 87 2.235 28.778 -6.189 1.00 0.00 C ATOM 0 H ILE A 87 3.816 28.458 -3.710 1.00 0.00 H new ATOM 0 HA ILE A 87 5.927 29.650 -5.390 1.00 0.00 H new ATOM 0 HB ILE A 87 3.153 30.786 -4.856 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.085 30.247 -7.480 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.195 28.977 -7.005 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.729 32.329 -6.687 1.00 0.00 H new ATOM 0 HG22 ILE A 87 4.871 32.464 -5.328 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.341 31.585 -6.802 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.889 28.165 -7.021 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.551 28.133 -5.369 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.424 29.423 -5.851 1.00 0.00 H new ATOM 1272 N PRO A 88 6.626 31.277 -3.626 1.00 0.00 N ATOM 1273 CA PRO A 88 7.144 32.126 -2.549 1.00 0.00 C ATOM 1274 C PRO A 88 6.338 33.411 -2.387 1.00 0.00 C ATOM 1275 O PRO A 88 5.476 33.739 -3.202 1.00 0.00 O ATOM 1276 CB PRO A 88 8.571 32.444 -3.002 1.00 0.00 C ATOM 1277 CG PRO A 88 8.535 32.312 -4.486 1.00 0.00 C ATOM 1278 CD PRO A 88 7.538 31.226 -4.781 1.00 0.00 C ATOM 0 HA PRO A 88 7.091 31.632 -1.579 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.867 33.449 -2.701 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.290 31.754 -2.560 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.239 33.251 -4.954 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.519 32.056 -4.879 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.011 31.408 -5.718 1.00 0.00 H new ATOM 0 HD3 PRO A 88 8.019 30.252 -4.870 1.00 0.00 H new ATOM 1286 N PRO A 89 6.623 34.157 -1.309 1.00 0.00 N ATOM 1287 CA PRO A 89 5.937 35.418 -1.016 1.00 0.00 C ATOM 1288 C PRO A 89 6.307 36.523 -2.000 1.00 0.00 C ATOM 1289 O PRO A 89 5.742 37.615 -1.960 1.00 0.00 O ATOM 1290 CB PRO A 89 6.427 35.770 0.391 1.00 0.00 C ATOM 1291 CG PRO A 89 7.747 35.090 0.513 1.00 0.00 C ATOM 1292 CD PRO A 89 7.639 33.827 -0.295 1.00 0.00 C ATOM 0 HA PRO A 89 4.854 35.320 -1.094 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.524 36.848 0.518 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.730 35.420 1.152 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.549 35.726 0.138 1.00 0.00 H new ATOM 0 HG3 PRO A 89 7.977 34.868 1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.592 33.560 -0.753 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.333 32.981 0.320 1.00 0.00 H new ATOM 1300 N GLN A 90 7.257 36.229 -2.881 1.00 0.00 N ATOM 1301 CA GLN A 90 7.702 37.199 -3.875 1.00 0.00 C ATOM 1302 C GLN A 90 6.927 37.036 -5.179 1.00 0.00 C ATOM 1303 O GLN A 90 6.355 37.996 -5.698 1.00 0.00 O ATOM 1304 CB GLN A 90 9.201 37.043 -4.136 1.00 0.00 C ATOM 1305 CG GLN A 90 10.070 37.455 -2.959 1.00 0.00 C ATOM 1306 CD GLN A 90 11.487 37.799 -3.372 1.00 0.00 C ATOM 1307 OE1 GLN A 90 11.959 38.913 -3.144 1.00 0.00 O ATOM 1308 NE2 GLN A 90 12.175 36.841 -3.983 1.00 0.00 N ATOM 0 H GLN A 90 7.733 35.328 -2.927 1.00 0.00 H new ATOM 0 HA GLN A 90 7.511 38.198 -3.482 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.411 36.003 -4.386 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.474 37.641 -5.005 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.621 38.316 -2.464 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.095 36.645 -2.230 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.744 35.932 -4.152 1.00 0.00 H new ATOM 0 HE22 GLN A 90 13.134 37.014 -4.283 1.00 0.00 H new ATOM 1317 N LEU A 91 6.913 35.816 -5.704 1.00 0.00 N ATOM 1318 CA LEU A 91 6.208 35.527 -6.949 1.00 0.00 C ATOM 1319 C LEU A 91 4.708 35.395 -6.707 1.00 0.00 C ATOM 1320 O LEU A 91 3.918 35.351 -7.649 1.00 0.00 O ATOM 1321 CB LEU A 91 6.750 34.242 -7.578 1.00 0.00 C ATOM 1322 CG LEU A 91 8.272 34.127 -7.665 1.00 0.00 C ATOM 1323 CD1 LEU A 91 8.671 32.844 -8.378 1.00 0.00 C ATOM 1324 CD2 LEU A 91 8.858 35.339 -8.376 1.00 0.00 C ATOM 0 H LEU A 91 7.381 35.011 -5.288 1.00 0.00 H new ATOM 0 HA LEU A 91 6.375 36.358 -7.634 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.374 33.394 -7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.341 34.153 -8.584 1.00 0.00 H new ATOM 0 HG LEU A 91 8.673 34.095 -6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.758 32.780 -8.430 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.283 31.986 -7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.259 32.845 -9.387 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.942 35.241 -8.429 1.00 0.00 H new ATOM 0 HD22 LEU A 91 8.450 35.402 -9.385 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.602 36.243 -7.824 1.00 0.00 H new ATOM 1336 N GLY A 92 4.322 35.333 -5.436 1.00 0.00 N ATOM 1337 CA GLY A 92 2.917 35.209 -5.093 1.00 0.00 C ATOM 1338 C GLY A 92 2.376 36.448 -4.407 1.00 0.00 C ATOM 1339 O GLY A 92 2.878 36.855 -3.359 1.00 0.00 O ATOM 0 H GLY A 92 4.957 35.366 -4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.341 35.018 -5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.780 34.347 -4.440 1.00 0.00 H new ATOM 1343 N TYR A 93 1.350 37.050 -5.000 1.00 0.00 N ATOM 1344 CA TYR A 93 0.744 38.252 -4.442 1.00 0.00 C ATOM 1345 C TYR A 93 1.764 39.382 -4.343 1.00 0.00 C ATOM 1346 O TYR A 93 1.580 40.336 -3.588 1.00 0.00 O ATOM 1347 CB TYR A 93 0.156 37.958 -3.060 1.00 0.00 C ATOM 1348 CG TYR A 93 -0.911 36.887 -3.071 1.00 0.00 C ATOM 1349 CD1 TYR A 93 -1.839 36.813 -4.103 1.00 0.00 C ATOM 1350 CD2 TYR A 93 -0.990 35.947 -2.051 1.00 0.00 C ATOM 1351 CE1 TYR A 93 -2.816 35.837 -4.117 1.00 0.00 C ATOM 1352 CE2 TYR A 93 -1.963 34.966 -2.057 1.00 0.00 C ATOM 1353 CZ TYR A 93 -2.873 34.915 -3.092 1.00 0.00 C ATOM 1354 OH TYR A 93 -3.844 33.940 -3.102 1.00 0.00 O ATOM 0 H TYR A 93 0.921 36.725 -5.867 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.057 38.568 -5.111 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.960 37.652 -2.390 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.267 38.876 -2.652 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.795 37.531 -4.908 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.279 35.984 -1.239 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.531 35.796 -4.925 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.011 34.243 -1.256 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.657 33.299 -3.819 1.00 0.00 H new ATOM 1364 N GLY A 94 2.842 39.266 -5.113 1.00 0.00 N ATOM 1365 CA GLY A 94 3.876 40.284 -5.099 1.00 0.00 C ATOM 1366 C GLY A 94 4.702 40.254 -3.827 1.00 0.00 C ATOM 1367 O GLY A 94 4.333 39.595 -2.856 1.00 0.00 O ATOM 0 H GLY A 94 3.017 38.486 -5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 94 4.532 40.143 -5.958 1.00 0.00 H new ATOM 0 HA3 GLY A 94 3.416 41.266 -5.207 1.00 0.00 H new ATOM 1371 N ALA A 95 5.822 40.969 -3.834 1.00 0.00 N ATOM 1372 CA ALA A 95 6.701 41.022 -2.673 1.00 0.00 C ATOM 1373 C ALA A 95 5.957 41.532 -1.444 1.00 0.00 C ATOM 1374 O ALA A 95 6.368 41.282 -0.310 1.00 0.00 O ATOM 1375 CB ALA A 95 7.908 41.901 -2.965 1.00 0.00 C ATOM 0 H ALA A 95 6.142 41.519 -4.631 1.00 0.00 H new ATOM 0 HA ALA A 95 7.045 40.010 -2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.556 41.932 -2.089 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.460 41.492 -3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 95 7.574 42.910 -3.204 1.00 0.00 H new ATOM 1381 N ARG A 96 4.862 42.248 -1.676 1.00 0.00 N ATOM 1382 CA ARG A 96 4.062 42.795 -0.586 1.00 0.00 C ATOM 1383 C ARG A 96 3.042 41.772 -0.094 1.00 0.00 C ATOM 1384 O ARG A 96 2.858 41.593 1.109 1.00 0.00 O ATOM 1385 CB ARG A 96 3.345 44.067 -1.041 1.00 0.00 C ATOM 1386 CG ARG A 96 2.580 44.766 0.071 1.00 0.00 C ATOM 1387 CD ARG A 96 1.428 45.592 -0.478 1.00 0.00 C ATOM 1388 NE ARG A 96 0.496 45.998 0.570 1.00 0.00 N ATOM 1389 CZ ARG A 96 -0.603 46.709 0.342 1.00 0.00 C ATOM 1390 NH1 ARG A 96 -0.906 47.089 -0.891 1.00 0.00 N ATOM 1391 NH2 ARG A 96 -1.401 47.040 1.349 1.00 0.00 N ATOM 0 H ARG A 96 4.508 42.463 -2.608 1.00 0.00 H new ATOM 0 HA ARG A 96 4.733 43.039 0.238 1.00 0.00 H new ATOM 0 HB2 ARG A 96 4.078 44.758 -1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.653 43.816 -1.845 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.196 44.024 0.771 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.258 45.411 0.630 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.822 46.478 -0.975 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.895 45.014 -1.233 1.00 0.00 H new ATOM 0 HE ARG A 96 0.700 45.720 1.530 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.295 46.836 -1.667 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.750 47.635 -1.064 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -1.171 46.749 2.299 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.244 47.586 1.173 1.00 0.00 H new ATOM 1405 N GLY A 97 2.381 41.103 -1.035 1.00 0.00 N ATOM 1406 CA GLY A 97 1.388 40.107 -0.677 1.00 0.00 C ATOM 1407 C GLY A 97 -0.030 40.595 -0.901 1.00 0.00 C ATOM 1408 O GLY A 97 -0.241 41.693 -1.414 1.00 0.00 O ATOM 0 H GLY A 97 2.516 41.233 -2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 97 1.555 39.204 -1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 97 1.514 39.833 0.371 1.00 0.00 H new ATOM 1412 N ALA A 98 -1.003 39.776 -0.517 1.00 0.00 N ATOM 1413 CA ALA A 98 -2.408 40.131 -0.679 1.00 0.00 C ATOM 1414 C ALA A 98 -2.851 41.120 0.393 1.00 0.00 C ATOM 1415 O ALA A 98 -2.379 41.073 1.529 1.00 0.00 O ATOM 1416 CB ALA A 98 -3.276 38.881 -0.639 1.00 0.00 C ATOM 0 H ALA A 98 -0.845 38.862 -0.092 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.527 40.611 -1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.322 39.161 -0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.983 38.209 -1.446 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -3.144 38.377 0.319 1.00 0.00 H new ATOM 1422 N GLY A 99 -3.761 42.017 0.025 1.00 0.00 N ATOM 1423 CA GLY A 99 -4.252 43.005 0.967 1.00 0.00 C ATOM 1424 C GLY A 99 -4.734 42.383 2.263 1.00 0.00 C ATOM 1425 O GLY A 99 -5.758 41.703 2.290 1.00 0.00 O ATOM 0 H GLY A 99 -4.167 42.077 -0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.459 43.721 1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.069 43.563 0.510 1.00 0.00 H new ATOM 1429 N GLY A 100 -3.991 42.615 3.341 1.00 0.00 N ATOM 1430 CA GLY A 100 -4.363 42.063 4.631 1.00 0.00 C ATOM 1431 C GLY A 100 -4.061 40.581 4.736 1.00 0.00 C ATOM 1432 O GLY A 100 -3.167 40.173 5.477 1.00 0.00 O ATOM 0 H GLY A 100 -3.139 43.175 3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.830 42.596 5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.427 42.227 4.800 1.00 0.00 H new ATOM 1436 N VAL A 101 -4.811 39.772 3.994 1.00 0.00 N ATOM 1437 CA VAL A 101 -4.620 38.327 4.008 1.00 0.00 C ATOM 1438 C VAL A 101 -3.203 37.955 3.584 1.00 0.00 C ATOM 1439 O VAL A 101 -2.553 38.693 2.843 1.00 0.00 O ATOM 1440 CB VAL A 101 -5.624 37.619 3.080 1.00 0.00 C ATOM 1441 CG1 VAL A 101 -5.333 37.952 1.624 1.00 0.00 C ATOM 1442 CG2 VAL A 101 -5.592 36.115 3.308 1.00 0.00 C ATOM 0 H VAL A 101 -5.556 40.093 3.376 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.788 37.996 5.033 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.626 37.978 3.317 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -6.053 37.443 0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.412 39.029 1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.325 37.624 1.370 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.308 35.631 2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.591 35.737 3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.854 35.898 4.344 1.00 0.00 H new ATOM 1452 N ILE A 102 -2.731 36.807 4.058 1.00 0.00 N ATOM 1453 CA ILE A 102 -1.392 36.337 3.726 1.00 0.00 C ATOM 1454 C ILE A 102 -0.326 37.243 4.332 1.00 0.00 C ATOM 1455 O ILE A 102 -0.357 38.465 4.185 1.00 0.00 O ATOM 1456 CB ILE A 102 -1.183 36.265 2.202 1.00 0.00 C ATOM 1457 CG1 ILE A 102 -2.379 35.585 1.532 1.00 0.00 C ATOM 1458 CG2 ILE A 102 0.105 35.522 1.879 1.00 0.00 C ATOM 1459 CD1 ILE A 102 -2.644 34.187 2.046 1.00 0.00 C ATOM 0 H ILE A 102 -3.256 36.185 4.673 1.00 0.00 H new ATOM 0 HA ILE A 102 -1.295 35.336 4.145 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.102 37.280 1.813 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.268 36.196 1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.207 35.542 0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.239 35.479 0.798 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.949 36.045 2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.051 34.509 2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.505 33.766 1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -1.770 33.561 1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -2.848 34.225 3.116 1.00 0.00 H new ATOM 1471 N PRO A 103 0.644 36.632 5.029 1.00 0.00 N ATOM 1472 CA PRO A 103 1.740 37.364 5.669 1.00 0.00 C ATOM 1473 C PRO A 103 2.710 37.960 4.654 1.00 0.00 C ATOM 1474 O PRO A 103 2.676 37.641 3.466 1.00 0.00 O ATOM 1475 CB PRO A 103 2.438 36.293 6.511 1.00 0.00 C ATOM 1476 CG PRO A 103 2.120 35.008 5.828 1.00 0.00 C ATOM 1477 CD PRO A 103 0.744 35.179 5.244 1.00 0.00 C ATOM 0 HA PRO A 103 1.379 38.213 6.249 1.00 0.00 H new ATOM 0 HB2 PRO A 103 3.514 36.463 6.555 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.073 36.296 7.538 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.850 34.789 5.049 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.145 34.176 6.531 1.00 0.00 H new ATOM 0 HD2 PRO A 103 0.631 34.626 4.311 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -0.029 34.819 5.923 1.00 0.00 H new ATOM 1485 N PRO A 104 3.597 38.846 5.131 1.00 0.00 N ATOM 1486 CA PRO A 104 4.594 39.504 4.282 1.00 0.00 C ATOM 1487 C PRO A 104 5.671 38.539 3.798 1.00 0.00 C ATOM 1488 O PRO A 104 5.990 38.495 2.611 1.00 0.00 O ATOM 1489 CB PRO A 104 5.201 40.565 5.204 1.00 0.00 C ATOM 1490 CG PRO A 104 4.990 40.036 6.580 1.00 0.00 C ATOM 1491 CD PRO A 104 3.695 39.274 6.537 1.00 0.00 C ATOM 0 HA PRO A 104 4.150 39.913 3.374 1.00 0.00 H new ATOM 0 HB2 PRO A 104 6.261 40.712 4.995 1.00 0.00 H new ATOM 0 HB3 PRO A 104 4.713 41.531 5.072 1.00 0.00 H new ATOM 0 HG2 PRO A 104 5.814 39.388 6.880 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.942 40.847 7.307 1.00 0.00 H new ATOM 0 HD2 PRO A 104 3.708 38.422 7.216 1.00 0.00 H new ATOM 0 HD3 PRO A 104 2.851 39.900 6.826 1.00 0.00 H new ATOM 1499 N ASN A 105 6.227 37.767 4.726 1.00 0.00 N ATOM 1500 CA ASN A 105 7.269 36.803 4.394 1.00 0.00 C ATOM 1501 C ASN A 105 6.839 35.387 4.766 1.00 0.00 C ATOM 1502 O ASN A 105 6.838 35.017 5.940 1.00 0.00 O ATOM 1503 CB ASN A 105 8.571 37.159 5.114 1.00 0.00 C ATOM 1504 CG ASN A 105 9.191 38.439 4.588 1.00 0.00 C ATOM 1505 OD1 ASN A 105 8.517 39.460 4.457 1.00 0.00 O ATOM 1506 ND2 ASN A 105 10.483 38.389 4.285 1.00 0.00 N ATOM 0 H ASN A 105 5.973 37.790 5.714 1.00 0.00 H new ATOM 0 HA ASN A 105 7.435 36.842 3.317 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.376 37.265 6.181 1.00 0.00 H new ATOM 0 HB3 ASN A 105 9.282 36.341 5.000 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.956 39.219 3.928 1.00 0.00 H new ATOM 0 HD22 ASN A 105 11.003 37.520 4.410 1.00 0.00 H new ATOM 1513 N ALA A 106 6.475 34.600 3.759 1.00 0.00 N ATOM 1514 CA ALA A 106 6.046 33.225 3.980 1.00 0.00 C ATOM 1515 C ALA A 106 5.799 32.508 2.658 1.00 0.00 C ATOM 1516 O ALA A 106 5.452 33.133 1.655 1.00 0.00 O ATOM 1517 CB ALA A 106 4.792 33.196 4.841 1.00 0.00 C ATOM 0 H ALA A 106 6.469 34.892 2.782 1.00 0.00 H new ATOM 0 HA ALA A 106 6.845 32.700 4.503 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.482 32.163 4.998 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.001 33.663 5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 106 3.993 33.742 4.339 1.00 0.00 H new ATOM 1523 N THR A 107 5.980 31.191 2.661 1.00 0.00 N ATOM 1524 CA THR A 107 5.779 30.388 1.462 1.00 0.00 C ATOM 1525 C THR A 107 4.314 29.996 1.302 1.00 0.00 C ATOM 1526 O THR A 107 3.703 29.451 2.221 1.00 0.00 O ATOM 1527 CB THR A 107 6.640 29.111 1.489 1.00 0.00 C ATOM 1528 OG1 THR A 107 8.028 29.457 1.531 1.00 0.00 O ATOM 1529 CG2 THR A 107 6.364 28.247 0.267 1.00 0.00 C ATOM 0 H THR A 107 6.266 30.658 3.482 1.00 0.00 H new ATOM 0 HA THR A 107 6.083 31.004 0.615 1.00 0.00 H new ATOM 0 HB THR A 107 6.381 28.543 2.382 1.00 0.00 H new ATOM 0 HG1 THR A 107 8.568 28.640 1.550 1.00 0.00 H new ATOM 0 HG21 THR A 107 6.983 27.351 0.308 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.312 27.961 0.254 1.00 0.00 H new ATOM 0 HG23 THR A 107 6.599 28.809 -0.637 1.00 0.00 H new ATOM 1537 N LEU A 108 3.756 30.277 0.129 1.00 0.00 N ATOM 1538 CA LEU A 108 2.362 29.953 -0.152 1.00 0.00 C ATOM 1539 C LEU A 108 2.251 28.632 -0.905 1.00 0.00 C ATOM 1540 O LEU A 108 2.959 28.403 -1.886 1.00 0.00 O ATOM 1541 CB LEU A 108 1.711 31.073 -0.966 1.00 0.00 C ATOM 1542 CG LEU A 108 1.410 32.366 -0.207 1.00 0.00 C ATOM 1543 CD1 LEU A 108 1.473 33.562 -1.144 1.00 0.00 C ATOM 1544 CD2 LEU A 108 0.047 32.284 0.466 1.00 0.00 C ATOM 0 H LEU A 108 4.248 30.728 -0.642 1.00 0.00 H new ATOM 0 HA LEU A 108 1.840 29.853 0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.364 31.312 -1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.778 30.696 -1.385 1.00 0.00 H new ATOM 0 HG LEU A 108 2.168 32.496 0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.256 34.473 -0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.470 33.631 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.738 33.440 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.151 33.213 1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.723 32.130 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.038 31.451 1.169 1.00 0.00 H new ATOM 1556 N VAL A 109 1.356 27.765 -0.442 1.00 0.00 N ATOM 1557 CA VAL A 109 1.150 26.467 -1.073 1.00 0.00 C ATOM 1558 C VAL A 109 -0.150 26.445 -1.871 1.00 0.00 C ATOM 1559 O VAL A 109 -1.241 26.492 -1.302 1.00 0.00 O ATOM 1560 CB VAL A 109 1.119 25.334 -0.031 1.00 0.00 C ATOM 1561 CG1 VAL A 109 0.797 24.005 -0.696 1.00 0.00 C ATOM 1562 CG2 VAL A 109 2.444 25.259 0.713 1.00 0.00 C ATOM 0 H VAL A 109 0.762 27.938 0.369 1.00 0.00 H new ATOM 0 HA VAL A 109 1.991 26.306 -1.748 1.00 0.00 H new ATOM 0 HB VAL A 109 0.333 25.551 0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.780 23.216 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.178 24.067 -1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.558 23.778 -1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.405 24.453 1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.249 25.066 0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.629 26.204 1.223 1.00 0.00 H new ATOM 1572 N PHE A 110 -0.026 26.373 -3.192 1.00 0.00 N ATOM 1573 CA PHE A 110 -1.190 26.344 -4.069 1.00 0.00 C ATOM 1574 C PHE A 110 -1.247 25.038 -4.855 1.00 0.00 C ATOM 1575 O PHE A 110 -0.249 24.604 -5.429 1.00 0.00 O ATOM 1576 CB PHE A 110 -1.159 27.532 -5.033 1.00 0.00 C ATOM 1577 CG PHE A 110 -1.503 28.841 -4.382 1.00 0.00 C ATOM 1578 CD1 PHE A 110 -2.825 29.200 -4.172 1.00 0.00 C ATOM 1579 CD2 PHE A 110 -0.504 29.714 -3.980 1.00 0.00 C ATOM 1580 CE1 PHE A 110 -3.145 30.404 -3.574 1.00 0.00 C ATOM 1581 CE2 PHE A 110 -0.818 30.919 -3.381 1.00 0.00 C ATOM 1582 CZ PHE A 110 -2.140 31.265 -3.178 1.00 0.00 C ATOM 0 H PHE A 110 0.870 26.334 -3.679 1.00 0.00 H new ATOM 0 HA PHE A 110 -2.083 26.413 -3.448 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -0.165 27.605 -5.475 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -1.858 27.346 -5.849 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -3.615 28.531 -4.479 1.00 0.00 H new ATOM 0 HD2 PHE A 110 0.531 29.449 -4.137 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.179 30.671 -3.416 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -0.030 31.590 -3.072 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.387 32.207 -2.711 1.00 0.00 H new ATOM 1592 N GLU A 111 -2.423 24.417 -4.875 1.00 0.00 N ATOM 1593 CA GLU A 111 -2.609 23.160 -5.590 1.00 0.00 C ATOM 1594 C GLU A 111 -3.246 23.399 -6.956 1.00 0.00 C ATOM 1595 O GLU A 111 -4.218 24.145 -7.078 1.00 0.00 O ATOM 1596 CB GLU A 111 -3.480 22.206 -4.769 1.00 0.00 C ATOM 1597 CG GLU A 111 -3.937 20.981 -5.544 1.00 0.00 C ATOM 1598 CD GLU A 111 -5.373 21.093 -6.018 1.00 0.00 C ATOM 1599 OE1 GLU A 111 -6.281 20.687 -5.263 1.00 0.00 O ATOM 1600 OE2 GLU A 111 -5.588 21.586 -7.145 1.00 0.00 O ATOM 0 H GLU A 111 -3.259 24.764 -4.405 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.628 22.708 -5.740 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.922 21.883 -3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.356 22.746 -4.409 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.284 20.836 -6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.834 20.098 -4.914 1.00 0.00 H new ATOM 1607 N VAL A 112 -2.690 22.762 -7.981 1.00 0.00 N ATOM 1608 CA VAL A 112 -3.203 22.904 -9.339 1.00 0.00 C ATOM 1609 C VAL A 112 -3.449 21.543 -9.979 1.00 0.00 C ATOM 1610 O VAL A 112 -2.540 20.720 -10.079 1.00 0.00 O ATOM 1611 CB VAL A 112 -2.232 23.708 -10.224 1.00 0.00 C ATOM 1612 CG1 VAL A 112 -2.891 24.071 -11.546 1.00 0.00 C ATOM 1613 CG2 VAL A 112 -1.755 24.955 -9.495 1.00 0.00 C ATOM 0 H VAL A 112 -1.884 22.142 -7.897 1.00 0.00 H new ATOM 0 HA VAL A 112 -4.148 23.443 -9.266 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.363 23.086 -10.438 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.190 24.639 -12.158 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -3.177 23.160 -12.072 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -3.779 24.675 -11.356 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -1.070 25.511 -10.135 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -2.612 25.583 -9.249 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -1.241 24.666 -8.578 1.00 0.00 H new ATOM 1623 N GLU A 113 -4.685 21.313 -10.412 1.00 0.00 N ATOM 1624 CA GLU A 113 -5.050 20.050 -11.043 1.00 0.00 C ATOM 1625 C GLU A 113 -5.828 20.292 -12.333 1.00 0.00 C ATOM 1626 O GLU A 113 -6.953 20.794 -12.310 1.00 0.00 O ATOM 1627 CB GLU A 113 -5.885 19.198 -10.084 1.00 0.00 C ATOM 1628 CG GLU A 113 -7.121 19.908 -9.558 1.00 0.00 C ATOM 1629 CD GLU A 113 -7.598 19.343 -8.233 1.00 0.00 C ATOM 1630 OE1 GLU A 113 -6.745 19.056 -7.368 1.00 0.00 O ATOM 1631 OE2 GLU A 113 -8.825 19.190 -8.063 1.00 0.00 O ATOM 0 H GLU A 113 -5.449 21.984 -10.337 1.00 0.00 H new ATOM 0 HA GLU A 113 -4.132 19.516 -11.287 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -6.191 18.285 -10.595 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.262 18.898 -9.241 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.903 20.969 -9.439 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -7.922 19.828 -10.293 1.00 0.00 H new ATOM 1638 N LEU A 114 -5.221 19.932 -13.459 1.00 0.00 N ATOM 1639 CA LEU A 114 -5.855 20.109 -14.761 1.00 0.00 C ATOM 1640 C LEU A 114 -7.070 19.199 -14.903 1.00 0.00 C ATOM 1641 O LEU A 114 -7.000 18.002 -14.620 1.00 0.00 O ATOM 1642 CB LEU A 114 -4.854 19.821 -15.881 1.00 0.00 C ATOM 1643 CG LEU A 114 -4.511 20.999 -16.794 1.00 0.00 C ATOM 1644 CD1 LEU A 114 -3.463 21.890 -16.145 1.00 0.00 C ATOM 1645 CD2 LEU A 114 -4.026 20.501 -18.148 1.00 0.00 C ATOM 0 H LEU A 114 -4.291 19.516 -13.496 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.188 21.144 -14.838 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.931 19.455 -15.431 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.250 19.013 -16.497 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.414 21.589 -16.949 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.232 22.723 -16.809 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -3.847 22.275 -15.201 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.558 21.312 -15.960 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.787 21.353 -18.785 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.135 19.888 -18.012 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.808 19.905 -18.618 1.00 0.00 H new ATOM 1657 N LEU A 115 -8.184 19.772 -15.345 1.00 0.00 N ATOM 1658 CA LEU A 115 -9.416 19.012 -15.528 1.00 0.00 C ATOM 1659 C LEU A 115 -9.729 18.832 -17.010 1.00 0.00 C ATOM 1660 O LEU A 115 -10.089 17.740 -17.450 1.00 0.00 O ATOM 1661 CB LEU A 115 -10.581 19.716 -14.830 1.00 0.00 C ATOM 1662 CG LEU A 115 -10.561 19.693 -13.302 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -10.938 21.056 -12.742 1.00 0.00 C ATOM 1664 CD2 LEU A 115 -11.499 18.618 -12.772 1.00 0.00 C ATOM 0 H LEU A 115 -8.260 20.761 -15.583 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.276 18.027 -15.083 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.600 20.755 -15.157 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -11.511 19.258 -15.168 1.00 0.00 H new ATOM 0 HG LEU A 115 -9.548 19.457 -12.975 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.918 21.020 -11.653 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.226 21.803 -13.093 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.940 21.323 -13.078 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.472 18.616 -11.682 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -12.515 18.823 -13.109 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.183 17.644 -13.144 1.00 0.00 H new ATOM 1676 N ASP A 116 -9.588 19.909 -17.774 1.00 0.00 N ATOM 1677 CA ASP A 116 -9.853 19.869 -19.208 1.00 0.00 C ATOM 1678 C ASP A 116 -9.159 21.025 -19.921 1.00 0.00 C ATOM 1679 O ASP A 116 -8.675 21.960 -19.284 1.00 0.00 O ATOM 1680 CB ASP A 116 -11.359 19.922 -19.471 1.00 0.00 C ATOM 1681 CG ASP A 116 -12.025 18.571 -19.299 1.00 0.00 C ATOM 1682 OD1 ASP A 116 -11.745 17.665 -20.111 1.00 0.00 O ATOM 1683 OD2 ASP A 116 -12.826 18.420 -18.353 1.00 0.00 O ATOM 0 H ASP A 116 -9.292 20.821 -17.425 1.00 0.00 H new ATOM 0 HA ASP A 116 -9.456 18.933 -19.600 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.818 20.639 -18.791 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.535 20.284 -20.484 1.00 0.00 H new ATOM 1688 N VAL A 117 -9.112 20.953 -21.248 1.00 0.00 N ATOM 1689 CA VAL A 117 -8.477 21.992 -22.048 1.00 0.00 C ATOM 1690 C VAL A 117 -9.516 22.834 -22.781 1.00 0.00 C ATOM 1691 O VAL A 117 -10.398 22.272 -23.429 1.00 0.00 O ATOM 1692 CB VAL A 117 -7.501 21.391 -23.077 1.00 0.00 C ATOM 1693 CG1 VAL A 117 -6.769 22.494 -23.827 1.00 0.00 C ATOM 1694 CG2 VAL A 117 -6.516 20.455 -22.393 1.00 0.00 C ATOM 0 H VAL A 117 -9.507 20.185 -21.791 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.921 22.626 -21.358 1.00 0.00 H new ATOM 0 HB VAL A 117 -8.074 20.812 -23.801 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -6.084 22.050 -24.549 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.492 23.120 -24.350 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.206 23.103 -23.120 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -5.834 20.039 -23.135 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -5.947 21.009 -21.646 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -7.061 19.646 -21.907 1.00 0.00 H new TER 1704 VAL A 117 HETATM 1705 C1 L2S A 130 -5.339 32.034 -9.428 1.00 0.00 C HETATM 1706 N1 L2S A 130 -5.706 34.460 -7.885 1.00 0.00 N HETATM 1707 O1 L2S A 130 -4.999 36.525 -7.215 1.00 0.00 O HETATM 1708 S1 L2S A 130 -7.244 37.597 -5.831 1.00 0.00 S HETATM 1709 C2 L2S A 130 -4.432 33.237 -9.673 1.00 0.00 C HETATM 1710 C3 L2S A 130 -4.352 34.106 -8.404 1.00 0.00 C HETATM 1711 C4 L2S A 130 -6.699 33.354 -7.772 1.00 0.00 C HETATM 1712 C5 L2S A 130 -6.752 32.489 -9.041 1.00 0.00 C HETATM 1713 C6 L2S A 130 -5.900 35.689 -7.340 1.00 0.00 C HETATM 1714 C7 L2S A 130 -7.311 36.086 -6.883 1.00 0.00 C HETATM 1715 C8 L2S A 130 -7.236 36.997 -4.181 1.00 0.00 C HETATM 1716 C9 L2S A 130 -6.534 35.792 -3.944 1.00 0.00 C HETATM 1717 C10 L2S A 130 -6.644 35.151 -2.695 1.00 0.00 C HETATM 1718 C11 L2S A 130 -7.456 35.738 -1.691 1.00 0.00 C HETATM 1719 C12 L2S A 130 -8.158 36.937 -1.921 1.00 0.00 C HETATM 1720 C13 L2S A 130 -8.048 37.578 -3.169 1.00 0.00 C HETATM 1721 C14 L2S A 130 -7.568 35.103 -0.451 1.00 0.00 C HETATM 0 H314 L2S A 130 -7.985 34.105 -0.589 1.00 0.00 H new HETATM 0 H214 L2S A 130 -6.582 35.024 0.008 1.00 0.00 H new HETATM 0 H114 L2S A 130 -8.224 35.684 0.197 1.00 0.00 H new HETATM 0 H113 L2S A 130 -8.580 38.510 -3.358 1.00 0.00 H new HETATM 0 H112 L2S A 130 -8.783 37.366 -1.137 1.00 0.00 H new HETATM 0 H9 L2S A 130 -5.909 35.361 -4.726 1.00 0.00 H new HETATM 0 H27 L2S A 130 -7.763 35.266 -6.325 1.00 0.00 H new HETATM 0 H25 L2S A 130 -7.197 33.056 -9.859 1.00 0.00 H new HETATM 0 H24 L2S A 130 -6.446 32.727 -6.917 1.00 0.00 H new HETATM 0 H23 L2S A 130 -3.797 35.018 -8.623 1.00 0.00 H new HETATM 0 H22 L2S A 130 -3.435 32.899 -9.955 1.00 0.00 H new HETATM 0 H21 L2S A 130 -5.383 31.417 -10.326 1.00 0.00 H new HETATM 0 H17 L2S A 130 -7.944 36.268 -7.752 1.00 0.00 H new HETATM 0 H15 L2S A 130 -7.389 31.621 -8.872 1.00 0.00 H new HETATM 0 H14 L2S A 130 -7.686 33.773 -7.579 1.00 0.00 H new HETATM 0 H13 L2S A 130 -3.796 33.572 -7.633 1.00 0.00 H new HETATM 0 H12 L2S A 130 -4.816 33.828 -10.505 1.00 0.00 H new HETATM 0 H11 L2S A 130 -4.922 31.413 -8.635 1.00 0.00 H new HETATM 0 H10 L2S A 130 -6.113 34.218 -2.503 1.00 0.00 H new