USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 799 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 THR OG1 : rot 89:sc= 1.3 USER MOD Set 1.2: A 52 HIS : no HD1:sc= 0.75 K(o=2.1,f=-5!) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.101 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00733) USER MOD Single : A 14 GLN : amide:sc= -1.03 K(o=-1,f=-2.2!) USER MOD Single : A 16 CYS SG : rot 61:sc= 1.17 USER MOD Single : A 19 SER OG : rot -176:sc= -0.583 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -133:sc= -0.337 (180deg=-2.82!) USER MOD Single : A 29 HIS :FLIP no HD1:sc= -0.239 F(o=-1.7,f=-0.24) USER MOD Single : A 30 SER OG : rot -51:sc= 0.986 USER MOD Single : A 31 MET CE :methyl -140:sc= -0.32 (180deg=-3.3!) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 69:sc= 0.237 USER MOD Single : A 37 MET CE :methyl 141:sc= -0.0406 (180deg=-0.586) USER MOD Single : A 38 GLN :FLIP amide:sc= -2.48 F(o=-3!,f=-2.5) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -97:sc= -0.338 USER MOD Single : A 58 ASN : amide:sc= -0.135 K(o=-0.13,f=-1.2!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -129:sc= -0.143 (180deg=-0.778) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -2.38! C(o=-2.4!,f=-2.4!) USER MOD Single : A 82 SER OG : rot -6:sc= 0.078 USER MOD Single : A 84 GLN : amide:sc= -0.0757 K(o=-0.076,f=-1.2) USER MOD Single : A 85 MET CE :methyl -162:sc= -4.85! (180deg=-5.82!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 93 MET CE :methyl -179:sc=-0.00263 (180deg=-0.00385) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -47:sc= 1.1 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.36) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.362 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.656 34.438 0.732 1.00 0.00 N ATOM 2 CA GLY A 1 -18.619 33.760 1.487 1.00 0.00 C ATOM 3 C GLY A 1 -17.498 33.250 0.603 1.00 0.00 C ATOM 4 O GLY A 1 -17.482 33.506 -0.601 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.729 35.425 1.051 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.418 34.418 -0.280 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.566 33.958 0.883 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.209 34.444 2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.058 32.924 2.031 1.00 0.00 H new ATOM 8 N SER A 2 -16.557 32.526 1.202 1.00 0.00 N ATOM 9 CA SER A 2 -15.424 31.983 0.462 1.00 0.00 C ATOM 10 C SER A 2 -14.783 30.827 1.222 1.00 0.00 C ATOM 11 O SER A 2 -14.492 30.938 2.413 1.00 0.00 O ATOM 12 CB SER A 2 -14.386 33.077 0.203 1.00 0.00 C ATOM 13 OG SER A 2 -13.641 32.805 -0.971 1.00 0.00 O ATOM 0 H SER A 2 -16.557 32.302 2.197 1.00 0.00 H new ATOM 0 HA SER A 2 -15.791 31.607 -0.493 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.886 34.041 0.105 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.712 33.152 1.056 1.00 0.00 H new ATOM 0 HG SER A 2 -12.986 33.519 -1.115 1.00 0.00 H new ATOM 19 N SER A 3 -14.565 29.716 0.524 1.00 0.00 N ATOM 20 CA SER A 3 -13.962 28.537 1.133 1.00 0.00 C ATOM 21 C SER A 3 -12.439 28.619 1.084 1.00 0.00 C ATOM 22 O SER A 3 -11.748 28.065 1.938 1.00 0.00 O ATOM 23 CB SER A 3 -14.439 27.269 0.422 1.00 0.00 C ATOM 24 OG SER A 3 -13.901 27.186 -0.886 1.00 0.00 O ATOM 0 H SER A 3 -14.797 29.609 -0.463 1.00 0.00 H new ATOM 0 HA SER A 3 -14.273 28.498 2.177 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.142 26.392 0.997 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.528 27.264 0.372 1.00 0.00 H new ATOM 0 HG SER A 3 -14.219 26.366 -1.319 1.00 0.00 H new ATOM 30 N GLY A 4 -11.922 29.315 0.076 1.00 0.00 N ATOM 31 CA GLY A 4 -10.485 29.457 -0.067 1.00 0.00 C ATOM 32 C GLY A 4 -9.860 28.298 -0.818 1.00 0.00 C ATOM 33 O GLY A 4 -10.086 27.137 -0.479 1.00 0.00 O ATOM 0 H GLY A 4 -12.473 29.783 -0.644 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.265 30.387 -0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.030 29.533 0.921 1.00 0.00 H new ATOM 37 N SER A 5 -9.072 28.614 -1.841 1.00 0.00 N ATOM 38 CA SER A 5 -8.416 27.589 -2.645 1.00 0.00 C ATOM 39 C SER A 5 -7.208 27.014 -1.912 1.00 0.00 C ATOM 40 O SER A 5 -6.456 27.743 -1.264 1.00 0.00 O ATOM 41 CB SER A 5 -7.982 28.169 -3.992 1.00 0.00 C ATOM 42 OG SER A 5 -7.109 29.271 -3.816 1.00 0.00 O ATOM 0 H SER A 5 -8.872 29.571 -2.133 1.00 0.00 H new ATOM 0 HA SER A 5 -9.131 26.784 -2.817 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.485 27.398 -4.580 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.860 28.483 -4.556 1.00 0.00 H new ATOM 0 HG SER A 5 -6.845 29.622 -4.692 1.00 0.00 H new ATOM 48 N SER A 6 -7.027 25.702 -2.020 1.00 0.00 N ATOM 49 CA SER A 6 -5.913 25.027 -1.365 1.00 0.00 C ATOM 50 C SER A 6 -4.734 24.872 -2.321 1.00 0.00 C ATOM 51 O SER A 6 -3.652 25.405 -2.082 1.00 0.00 O ATOM 52 CB SER A 6 -6.351 23.655 -0.851 1.00 0.00 C ATOM 53 OG SER A 6 -7.274 23.781 0.217 1.00 0.00 O ATOM 0 H SER A 6 -7.638 25.085 -2.555 1.00 0.00 H new ATOM 0 HA SER A 6 -5.596 25.639 -0.520 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.805 23.087 -1.663 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.479 23.093 -0.518 1.00 0.00 H new ATOM 0 HG SER A 6 -7.540 22.890 0.527 1.00 0.00 H new ATOM 59 N GLY A 7 -4.954 24.136 -3.407 1.00 0.00 N ATOM 60 CA GLY A 7 -3.902 23.922 -4.384 1.00 0.00 C ATOM 61 C GLY A 7 -4.062 22.613 -5.131 1.00 0.00 C ATOM 62 O GLY A 7 -5.166 22.256 -5.543 1.00 0.00 O ATOM 0 H GLY A 7 -5.842 23.684 -3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.900 24.746 -5.098 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.935 23.934 -3.881 1.00 0.00 H new ATOM 66 N PHE A 8 -2.958 21.896 -5.309 1.00 0.00 N ATOM 67 CA PHE A 8 -2.980 20.620 -6.015 1.00 0.00 C ATOM 68 C PHE A 8 -2.101 19.593 -5.307 1.00 0.00 C ATOM 69 O PHE A 8 -0.933 19.851 -5.017 1.00 0.00 O ATOM 70 CB PHE A 8 -2.508 20.804 -7.459 1.00 0.00 C ATOM 71 CG PHE A 8 -2.954 19.704 -8.379 1.00 0.00 C ATOM 72 CD1 PHE A 8 -4.178 19.778 -9.026 1.00 0.00 C ATOM 73 CD2 PHE A 8 -2.150 18.598 -8.599 1.00 0.00 C ATOM 74 CE1 PHE A 8 -4.591 18.767 -9.873 1.00 0.00 C ATOM 75 CE2 PHE A 8 -2.558 17.584 -9.446 1.00 0.00 C ATOM 76 CZ PHE A 8 -3.780 17.670 -10.084 1.00 0.00 C ATOM 0 H PHE A 8 -2.036 22.177 -4.974 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.006 20.253 -6.020 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.881 21.756 -7.836 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.420 20.860 -7.473 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.816 20.635 -8.866 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.193 18.527 -8.103 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.548 18.835 -10.370 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.922 16.726 -9.608 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.101 16.880 -10.747 1.00 0.00 H new ATOM 86 N LYS A 9 -2.672 18.425 -5.032 1.00 0.00 N ATOM 87 CA LYS A 9 -1.944 17.356 -4.359 1.00 0.00 C ATOM 88 C LYS A 9 -2.406 15.988 -4.852 1.00 0.00 C ATOM 89 O LYS A 9 -3.485 15.858 -5.431 1.00 0.00 O ATOM 90 CB LYS A 9 -2.135 17.455 -2.844 1.00 0.00 C ATOM 91 CG LYS A 9 -1.235 16.520 -2.055 1.00 0.00 C ATOM 92 CD LYS A 9 -1.301 16.809 -0.564 1.00 0.00 C ATOM 93 CE LYS A 9 -0.300 17.879 -0.159 1.00 0.00 C ATOM 94 NZ LYS A 9 1.085 17.338 -0.070 1.00 0.00 N ATOM 0 H LYS A 9 -3.638 18.195 -5.265 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.886 17.469 -4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.945 18.481 -2.529 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.175 17.235 -2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.530 15.487 -2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.207 16.624 -2.402 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.308 17.132 -0.299 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.103 15.894 -0.006 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.326 18.693 -0.883 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.588 18.300 0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.726 18.081 0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.102 16.534 0.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.395 17.021 -1.011 1.00 0.00 H new ATOM 108 N VAL A 10 -1.584 14.971 -4.617 1.00 0.00 N ATOM 109 CA VAL A 10 -1.910 13.612 -5.035 1.00 0.00 C ATOM 110 C VAL A 10 -1.514 12.599 -3.967 1.00 0.00 C ATOM 111 O VAL A 10 -0.352 12.500 -3.571 1.00 0.00 O ATOM 112 CB VAL A 10 -1.210 13.249 -6.358 1.00 0.00 C ATOM 113 CG1 VAL A 10 0.280 13.044 -6.135 1.00 0.00 C ATOM 114 CG2 VAL A 10 -1.841 12.007 -6.970 1.00 0.00 C ATOM 0 H VAL A 10 -0.687 15.062 -4.139 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.989 13.576 -5.183 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.338 14.076 -7.056 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.758 12.788 -7.081 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.719 13.962 -5.743 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.433 12.235 -5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.335 11.764 -7.904 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.745 11.171 -6.277 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.896 12.195 -7.168 1.00 0.00 H new ATOM 124 N PRO A 11 -2.501 11.827 -3.489 1.00 0.00 N ATOM 125 CA PRO A 11 -2.279 10.805 -2.461 1.00 0.00 C ATOM 126 C PRO A 11 -1.473 9.621 -2.984 1.00 0.00 C ATOM 127 O PRO A 11 -1.395 9.377 -4.188 1.00 0.00 O ATOM 128 CB PRO A 11 -3.696 10.364 -2.087 1.00 0.00 C ATOM 129 CG PRO A 11 -4.516 10.663 -3.295 1.00 0.00 C ATOM 130 CD PRO A 11 -3.909 11.891 -3.915 1.00 0.00 C ATOM 0 HA PRO A 11 -1.702 11.191 -1.621 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.728 9.303 -1.839 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.062 10.906 -1.215 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.502 9.826 -3.993 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.558 10.836 -3.026 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.001 11.880 -5.001 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.395 12.801 -3.563 1.00 0.00 H new ATOM 138 N PRO A 12 -0.860 8.867 -2.060 1.00 0.00 N ATOM 139 CA PRO A 12 -0.050 7.695 -2.405 1.00 0.00 C ATOM 140 C PRO A 12 -0.896 6.539 -2.929 1.00 0.00 C ATOM 141 O PRO A 12 -0.367 5.549 -3.434 1.00 0.00 O ATOM 142 CB PRO A 12 0.610 7.316 -1.077 1.00 0.00 C ATOM 143 CG PRO A 12 -0.310 7.847 -0.032 1.00 0.00 C ATOM 144 CD PRO A 12 -0.910 9.100 -0.607 1.00 0.00 C ATOM 0 HA PRO A 12 0.660 7.911 -3.203 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.729 6.236 -0.988 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.604 7.755 -0.989 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.084 7.120 0.212 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.229 8.060 0.891 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.932 9.252 -0.259 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.341 9.985 -0.322 1.00 0.00 H new ATOM 152 N PHE A 13 -2.212 6.672 -2.804 1.00 0.00 N ATOM 153 CA PHE A 13 -3.132 5.638 -3.265 1.00 0.00 C ATOM 154 C PHE A 13 -4.085 6.189 -4.321 1.00 0.00 C ATOM 155 O PHE A 13 -5.130 5.600 -4.596 1.00 0.00 O ATOM 156 CB PHE A 13 -3.929 5.074 -2.087 1.00 0.00 C ATOM 157 CG PHE A 13 -3.066 4.565 -0.968 1.00 0.00 C ATOM 158 CD1 PHE A 13 -1.859 3.941 -1.236 1.00 0.00 C ATOM 159 CD2 PHE A 13 -3.463 4.710 0.352 1.00 0.00 C ATOM 160 CE1 PHE A 13 -1.062 3.471 -0.208 1.00 0.00 C ATOM 161 CE2 PHE A 13 -2.671 4.243 1.383 1.00 0.00 C ATOM 162 CZ PHE A 13 -1.469 3.621 1.103 1.00 0.00 C ATOM 0 H PHE A 13 -2.666 7.485 -2.388 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.544 4.838 -3.714 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.590 5.850 -1.701 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.564 4.263 -2.443 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.536 3.820 -2.260 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.402 5.194 0.577 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.122 2.987 -0.430 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.991 4.364 2.407 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.850 3.253 1.908 1.00 0.00 H new ATOM 172 N GLN A 14 -3.717 7.323 -4.908 1.00 0.00 N ATOM 173 CA GLN A 14 -4.539 7.955 -5.933 1.00 0.00 C ATOM 174 C GLN A 14 -5.078 6.918 -6.914 1.00 0.00 C ATOM 175 O GLN A 14 -4.312 6.256 -7.615 1.00 0.00 O ATOM 176 CB GLN A 14 -3.731 9.014 -6.685 1.00 0.00 C ATOM 177 CG GLN A 14 -4.508 9.694 -7.801 1.00 0.00 C ATOM 178 CD GLN A 14 -3.608 10.230 -8.896 1.00 0.00 C ATOM 179 OE1 GLN A 14 -2.564 9.650 -9.197 1.00 0.00 O ATOM 180 NE2 GLN A 14 -4.007 11.344 -9.499 1.00 0.00 N ATOM 0 H GLN A 14 -2.855 7.823 -4.691 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.384 8.436 -5.440 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.391 9.770 -5.977 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.840 8.548 -7.106 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.214 8.984 -8.232 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.094 10.513 -7.384 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.879 11.792 -9.218 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.441 11.752 -10.243 1.00 0.00 H new ATOM 189 N ASP A 15 -6.399 6.783 -6.958 1.00 0.00 N ATOM 190 CA ASP A 15 -7.040 5.827 -7.853 1.00 0.00 C ATOM 191 C ASP A 15 -6.324 4.481 -7.814 1.00 0.00 C ATOM 192 O ASP A 15 -6.125 3.842 -8.848 1.00 0.00 O ATOM 193 CB ASP A 15 -7.057 6.368 -9.284 1.00 0.00 C ATOM 194 CG ASP A 15 -8.122 7.428 -9.489 1.00 0.00 C ATOM 195 OD1 ASP A 15 -8.069 8.465 -8.796 1.00 0.00 O ATOM 196 OD2 ASP A 15 -9.007 7.220 -10.344 1.00 0.00 O ATOM 0 H ASP A 15 -7.047 7.323 -6.384 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.066 5.682 -7.515 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.080 6.788 -9.522 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.229 5.546 -9.978 1.00 0.00 H new ATOM 201 N CYS A 16 -5.938 4.057 -6.616 1.00 0.00 N ATOM 202 CA CYS A 16 -5.242 2.787 -6.442 1.00 0.00 C ATOM 203 C CYS A 16 -5.910 1.944 -5.361 1.00 0.00 C ATOM 204 O CYS A 16 -6.084 2.394 -4.228 1.00 0.00 O ATOM 205 CB CYS A 16 -3.775 3.030 -6.082 1.00 0.00 C ATOM 206 SG CYS A 16 -2.819 3.838 -7.386 1.00 0.00 S ATOM 0 H CYS A 16 -6.095 4.574 -5.751 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.292 2.242 -7.385 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.730 3.642 -5.181 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.308 2.075 -5.843 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.333 5.004 -7.642 1.00 0.00 H new ATOM 212 N ILE A 17 -6.285 0.720 -5.719 1.00 0.00 N ATOM 213 CA ILE A 17 -6.935 -0.185 -4.780 1.00 0.00 C ATOM 214 C ILE A 17 -5.945 -1.203 -4.223 1.00 0.00 C ATOM 215 O ILE A 17 -5.020 -1.629 -4.916 1.00 0.00 O ATOM 216 CB ILE A 17 -8.108 -0.934 -5.440 1.00 0.00 C ATOM 217 CG1 ILE A 17 -9.038 0.054 -6.147 1.00 0.00 C ATOM 218 CG2 ILE A 17 -8.874 -1.739 -4.401 1.00 0.00 C ATOM 219 CD1 ILE A 17 -9.855 -0.573 -7.255 1.00 0.00 C ATOM 0 H ILE A 17 -6.150 0.333 -6.653 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.319 0.428 -3.965 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.708 -1.624 -6.183 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.713 0.494 -5.413 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.443 0.868 -6.561 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.700 -2.263 -4.883 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.205 -2.464 -3.937 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.266 -1.068 -3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.491 0.185 -7.712 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.187 -0.988 -8.009 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.477 -1.368 -6.843 1.00 0.00 H new ATOM 231 N LEU A 18 -6.147 -1.592 -2.969 1.00 0.00 N ATOM 232 CA LEU A 18 -5.274 -2.563 -2.319 1.00 0.00 C ATOM 233 C LEU A 18 -6.072 -3.485 -1.403 1.00 0.00 C ATOM 234 O LEU A 18 -7.153 -3.128 -0.934 1.00 0.00 O ATOM 235 CB LEU A 18 -4.188 -1.844 -1.516 1.00 0.00 C ATOM 236 CG LEU A 18 -3.594 -0.592 -2.162 1.00 0.00 C ATOM 237 CD1 LEU A 18 -4.382 0.644 -1.755 1.00 0.00 C ATOM 238 CD2 LEU A 18 -2.128 -0.440 -1.784 1.00 0.00 C ATOM 0 H LEU A 18 -6.908 -1.250 -2.382 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.804 -3.169 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.604 -1.566 -0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.379 -2.549 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.660 -0.700 -3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.945 1.525 -2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.418 0.538 -2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.349 0.756 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.722 0.456 -2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.038 -0.355 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.572 -1.312 -2.127 1.00 0.00 H new ATOM 250 N SER A 19 -5.531 -4.673 -1.151 1.00 0.00 N ATOM 251 CA SER A 19 -6.193 -5.648 -0.292 1.00 0.00 C ATOM 252 C SER A 19 -5.281 -6.070 0.855 1.00 0.00 C ATOM 253 O SER A 19 -4.088 -5.763 0.860 1.00 0.00 O ATOM 254 CB SER A 19 -6.611 -6.875 -1.105 1.00 0.00 C ATOM 255 OG SER A 19 -5.591 -7.256 -2.012 1.00 0.00 O ATOM 0 H SER A 19 -4.636 -4.983 -1.530 1.00 0.00 H new ATOM 0 HA SER A 19 -7.083 -5.180 0.129 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.832 -7.703 -0.432 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.527 -6.657 -1.654 1.00 0.00 H new ATOM 0 HG SER A 19 -5.905 -8.003 -2.563 1.00 0.00 H new ATOM 261 N PHE A 20 -5.849 -6.777 1.826 1.00 0.00 N ATOM 262 CA PHE A 20 -5.088 -7.242 2.980 1.00 0.00 C ATOM 263 C PHE A 20 -5.451 -8.683 3.326 1.00 0.00 C ATOM 264 O PHE A 20 -6.589 -8.977 3.695 1.00 0.00 O ATOM 265 CB PHE A 20 -5.346 -6.335 4.186 1.00 0.00 C ATOM 266 CG PHE A 20 -5.268 -4.871 3.862 1.00 0.00 C ATOM 267 CD1 PHE A 20 -4.062 -4.290 3.505 1.00 0.00 C ATOM 268 CD2 PHE A 20 -6.401 -4.075 3.915 1.00 0.00 C ATOM 269 CE1 PHE A 20 -3.987 -2.942 3.207 1.00 0.00 C ATOM 270 CE2 PHE A 20 -6.332 -2.727 3.618 1.00 0.00 C ATOM 271 CZ PHE A 20 -5.123 -2.160 3.264 1.00 0.00 C ATOM 0 H PHE A 20 -6.834 -7.041 1.837 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.029 -7.204 2.725 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.333 -6.557 4.593 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.620 -6.566 4.966 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.170 -4.897 3.459 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.349 -4.513 4.192 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.041 -2.501 2.930 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.222 -2.117 3.663 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.067 -1.107 3.032 1.00 0.00 H new ATOM 281 N LEU A 21 -4.477 -9.577 3.203 1.00 0.00 N ATOM 282 CA LEU A 21 -4.692 -10.989 3.502 1.00 0.00 C ATOM 283 C LEU A 21 -3.768 -11.455 4.623 1.00 0.00 C ATOM 284 O LEU A 21 -2.553 -11.274 4.556 1.00 0.00 O ATOM 285 CB LEU A 21 -4.460 -11.837 2.250 1.00 0.00 C ATOM 286 CG LEU A 21 -4.497 -13.352 2.449 1.00 0.00 C ATOM 287 CD1 LEU A 21 -5.934 -13.850 2.493 1.00 0.00 C ATOM 288 CD2 LEU A 21 -3.721 -14.054 1.345 1.00 0.00 C ATOM 0 H LEU A 21 -3.530 -9.350 2.898 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.724 -11.112 3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.214 -11.569 1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.491 -11.570 1.829 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.024 -13.585 3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.940 -14.931 2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.460 -13.372 3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.433 -13.605 1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.758 -15.132 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.165 -13.813 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.683 -13.721 1.361 1.00 0.00 H new ATOM 300 N GLY A 22 -4.354 -12.058 5.653 1.00 0.00 N ATOM 301 CA GLY A 22 -3.569 -12.543 6.774 1.00 0.00 C ATOM 302 C GLY A 22 -3.907 -11.832 8.069 1.00 0.00 C ATOM 303 O GLY A 22 -4.043 -12.466 9.116 1.00 0.00 O ATOM 0 H GLY A 22 -5.358 -12.219 5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.738 -13.613 6.896 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.509 -12.410 6.556 1.00 0.00 H new ATOM 307 N PHE A 23 -4.041 -10.512 8.001 1.00 0.00 N ATOM 308 CA PHE A 23 -4.362 -9.714 9.178 1.00 0.00 C ATOM 309 C PHE A 23 -5.742 -10.076 9.720 1.00 0.00 C ATOM 310 O PHE A 23 -6.548 -10.701 9.030 1.00 0.00 O ATOM 311 CB PHE A 23 -4.309 -8.223 8.840 1.00 0.00 C ATOM 312 CG PHE A 23 -3.135 -7.843 7.984 1.00 0.00 C ATOM 313 CD1 PHE A 23 -3.225 -7.886 6.602 1.00 0.00 C ATOM 314 CD2 PHE A 23 -1.940 -7.445 8.562 1.00 0.00 C ATOM 315 CE1 PHE A 23 -2.146 -7.537 5.812 1.00 0.00 C ATOM 316 CE2 PHE A 23 -0.858 -7.095 7.777 1.00 0.00 C ATOM 317 CZ PHE A 23 -0.960 -7.142 6.400 1.00 0.00 C ATOM 0 H PHE A 23 -3.932 -9.972 7.143 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.620 -9.931 9.947 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.229 -7.942 8.327 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.273 -7.650 9.766 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.149 -8.196 6.137 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.853 -7.408 9.638 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.230 -7.573 4.736 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.067 -6.785 8.240 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.115 -6.871 5.785 1.00 0.00 H new ATOM 327 N SER A 24 -6.007 -9.678 10.960 1.00 0.00 N ATOM 328 CA SER A 24 -7.287 -9.963 11.597 1.00 0.00 C ATOM 329 C SER A 24 -8.317 -8.892 11.251 1.00 0.00 C ATOM 330 O SER A 24 -7.982 -7.717 11.103 1.00 0.00 O ATOM 331 CB SER A 24 -7.117 -10.051 13.115 1.00 0.00 C ATOM 332 OG SER A 24 -6.495 -11.268 13.489 1.00 0.00 O ATOM 0 H SER A 24 -5.352 -9.157 11.543 1.00 0.00 H new ATOM 0 HA SER A 24 -7.645 -10.922 11.222 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.519 -9.210 13.466 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.091 -9.973 13.598 1.00 0.00 H new ATOM 0 HG SER A 24 -6.396 -11.299 14.464 1.00 0.00 H new ATOM 338 N ASP A 25 -9.573 -9.307 11.122 1.00 0.00 N ATOM 339 CA ASP A 25 -10.653 -8.385 10.794 1.00 0.00 C ATOM 340 C ASP A 25 -10.413 -7.018 11.428 1.00 0.00 C ATOM 341 O ASP A 25 -10.700 -5.985 10.825 1.00 0.00 O ATOM 342 CB ASP A 25 -11.995 -8.950 11.263 1.00 0.00 C ATOM 343 CG ASP A 25 -12.526 -10.025 10.335 1.00 0.00 C ATOM 344 OD1 ASP A 25 -12.089 -11.188 10.463 1.00 0.00 O ATOM 345 OD2 ASP A 25 -13.380 -9.704 9.483 1.00 0.00 O ATOM 0 H ASP A 25 -9.868 -10.276 11.240 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.677 -8.264 9.711 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.882 -9.363 12.265 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.723 -8.141 11.332 1.00 0.00 H new ATOM 350 N GLU A 26 -9.886 -7.023 12.649 1.00 0.00 N ATOM 351 CA GLU A 26 -9.610 -5.783 13.365 1.00 0.00 C ATOM 352 C GLU A 26 -8.458 -5.023 12.713 1.00 0.00 C ATOM 353 O GLU A 26 -8.623 -3.886 12.273 1.00 0.00 O ATOM 354 CB GLU A 26 -9.276 -6.077 14.829 1.00 0.00 C ATOM 355 CG GLU A 26 -10.500 -6.168 15.726 1.00 0.00 C ATOM 356 CD GLU A 26 -11.425 -4.977 15.572 1.00 0.00 C ATOM 357 OE1 GLU A 26 -11.124 -3.913 16.152 1.00 0.00 O ATOM 358 OE2 GLU A 26 -12.451 -5.109 14.872 1.00 0.00 O ATOM 0 H GLU A 26 -9.642 -7.870 13.162 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.504 -5.162 13.321 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.724 -7.015 14.886 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.616 -5.296 15.207 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.048 -7.081 15.495 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.180 -6.243 16.765 1.00 0.00 H new ATOM 365 N GLU A 27 -7.293 -5.661 12.656 1.00 0.00 N ATOM 366 CA GLU A 27 -6.114 -5.044 12.059 1.00 0.00 C ATOM 367 C GLU A 27 -6.428 -4.507 10.665 1.00 0.00 C ATOM 368 O GLU A 27 -5.956 -3.437 10.279 1.00 0.00 O ATOM 369 CB GLU A 27 -4.967 -6.054 11.981 1.00 0.00 C ATOM 370 CG GLU A 27 -4.120 -6.110 13.241 1.00 0.00 C ATOM 371 CD GLU A 27 -2.994 -7.121 13.143 1.00 0.00 C ATOM 372 OE1 GLU A 27 -3.288 -8.330 13.048 1.00 0.00 O ATOM 373 OE2 GLU A 27 -1.818 -6.701 13.160 1.00 0.00 O ATOM 0 H GLU A 27 -7.140 -6.603 13.015 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.812 -4.210 12.692 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.378 -7.044 11.785 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.328 -5.801 11.135 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.701 -5.123 13.437 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.755 -6.361 14.090 1.00 0.00 H new ATOM 380 N LYS A 28 -7.227 -5.257 9.914 1.00 0.00 N ATOM 381 CA LYS A 28 -7.606 -4.858 8.564 1.00 0.00 C ATOM 382 C LYS A 28 -8.497 -3.620 8.592 1.00 0.00 C ATOM 383 O LYS A 28 -8.207 -2.653 7.890 1.00 0.00 O ATOM 384 CB LYS A 28 -8.330 -6.005 7.855 1.00 0.00 C ATOM 385 CG LYS A 28 -8.353 -5.867 6.343 1.00 0.00 C ATOM 386 CD LYS A 28 -8.667 -7.191 5.667 1.00 0.00 C ATOM 387 CE LYS A 28 -10.167 -7.410 5.541 1.00 0.00 C ATOM 388 NZ LYS A 28 -10.790 -6.451 4.587 1.00 0.00 N ATOM 0 H LYS A 28 -7.625 -6.146 10.218 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.696 -4.616 8.015 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.847 -6.946 8.118 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.355 -6.059 8.222 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.098 -5.125 6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.387 -5.500 5.995 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.211 -7.213 4.677 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.226 -8.007 6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.358 -8.430 5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.633 -7.302 6.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.646 -6.043 5.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.115 -5.690 4.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.045 -6.949 3.710 1.00 0.00 H new ATOM 402 N HIS A 29 -9.550 -3.676 9.395 1.00 0.00 N ATOM 403 CA HIS A 29 -10.468 -2.554 9.503 1.00 0.00 C ATOM 404 C HIS A 29 -9.685 -1.242 9.438 1.00 0.00 C ATOM 405 O HIS A 29 -9.898 -0.397 8.569 1.00 0.00 O ATOM 406 CB HIS A 29 -11.324 -2.673 10.766 1.00 0.00 C ATOM 407 CG HIS A 29 -12.407 -1.626 10.875 1.00 0.00 C ATOM 408 ND1 HIS A 29 -12.568 -0.439 10.222 1.00 0.00 N flip ATOM 409 CD2 HIS A 29 -13.482 -1.747 11.737 1.00 0.00 C flip ATOM 410 CE1 HIS A 29 -13.683 0.133 10.660 1.00 0.00 C flip ATOM 411 NE2 HIS A 29 -14.251 -0.676 11.600 1.00 0.00 N flip ATOM 0 H HIS A 29 -9.788 -4.480 9.976 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.161 -2.564 8.662 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.784 -3.661 10.789 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.676 -2.603 11.640 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -13.664 -2.574 12.408 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.076 1.082 10.327 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -15.116 -0.490 12.108 1.00 0.00 H new ATOM 419 N SER A 30 -8.766 -1.089 10.386 1.00 0.00 N ATOM 420 CA SER A 30 -7.939 0.110 10.463 1.00 0.00 C ATOM 421 C SER A 30 -7.312 0.425 9.108 1.00 0.00 C ATOM 422 O SER A 30 -7.408 1.548 8.614 1.00 0.00 O ATOM 423 CB SER A 30 -6.843 -0.067 11.516 1.00 0.00 C ATOM 424 OG SER A 30 -5.901 -1.045 11.111 1.00 0.00 O ATOM 0 H SER A 30 -8.575 -1.780 11.111 1.00 0.00 H new ATOM 0 HA SER A 30 -8.578 0.944 10.751 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.336 0.884 11.682 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.291 -0.360 12.466 1.00 0.00 H new ATOM 0 HG SER A 30 -6.372 -1.861 10.842 1.00 0.00 H new ATOM 430 N MET A 31 -6.670 -0.576 8.513 1.00 0.00 N ATOM 431 CA MET A 31 -6.028 -0.407 7.215 1.00 0.00 C ATOM 432 C MET A 31 -7.024 0.107 6.179 1.00 0.00 C ATOM 433 O MET A 31 -6.796 1.136 5.544 1.00 0.00 O ATOM 434 CB MET A 31 -5.423 -1.731 6.745 1.00 0.00 C ATOM 435 CG MET A 31 -4.481 -2.362 7.758 1.00 0.00 C ATOM 436 SD MET A 31 -4.201 -4.116 7.447 1.00 0.00 S ATOM 437 CE MET A 31 -2.588 -4.069 6.672 1.00 0.00 C ATOM 0 H MET A 31 -6.581 -1.512 8.909 1.00 0.00 H new ATOM 0 HA MET A 31 -5.232 0.329 7.324 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.229 -2.431 6.525 1.00 0.00 H new ATOM 0 HB3 MET A 31 -4.882 -1.564 5.813 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.526 -1.836 7.737 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.893 -2.236 8.759 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.559 -4.784 5.850 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.398 -3.067 6.289 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.824 -4.328 7.405 1.00 0.00 H new ATOM 447 N GLU A 32 -8.126 -0.617 6.014 1.00 0.00 N ATOM 448 CA GLU A 32 -9.155 -0.234 5.054 1.00 0.00 C ATOM 449 C GLU A 32 -9.531 1.236 5.218 1.00 0.00 C ATOM 450 O GLU A 32 -9.392 2.030 4.288 1.00 0.00 O ATOM 451 CB GLU A 32 -10.396 -1.111 5.226 1.00 0.00 C ATOM 452 CG GLU A 32 -10.123 -2.595 5.042 1.00 0.00 C ATOM 453 CD GLU A 32 -11.347 -3.450 5.306 1.00 0.00 C ATOM 454 OE1 GLU A 32 -12.185 -3.586 4.391 1.00 0.00 O ATOM 455 OE2 GLU A 32 -11.466 -3.984 6.429 1.00 0.00 O ATOM 0 H GLU A 32 -8.329 -1.472 6.532 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.753 -0.379 4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.811 -0.947 6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.154 -0.798 4.508 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.773 -2.773 4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.320 -2.899 5.714 1.00 0.00 H new ATOM 462 N GLU A 33 -10.009 1.590 6.407 1.00 0.00 N ATOM 463 CA GLU A 33 -10.407 2.964 6.692 1.00 0.00 C ATOM 464 C GLU A 33 -9.290 3.939 6.333 1.00 0.00 C ATOM 465 O GLU A 33 -9.539 5.003 5.766 1.00 0.00 O ATOM 466 CB GLU A 33 -10.776 3.115 8.169 1.00 0.00 C ATOM 467 CG GLU A 33 -12.031 2.355 8.564 1.00 0.00 C ATOM 468 CD GLU A 33 -13.301 3.123 8.253 1.00 0.00 C ATOM 469 OE1 GLU A 33 -13.412 4.287 8.692 1.00 0.00 O ATOM 470 OE2 GLU A 33 -14.183 2.561 7.572 1.00 0.00 O ATOM 0 H GLU A 33 -10.130 0.945 7.188 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.279 3.197 6.081 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.943 2.767 8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.916 4.172 8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.052 1.399 8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.997 2.134 9.631 1.00 0.00 H new ATOM 477 N MET A 34 -8.058 3.568 6.667 1.00 0.00 N ATOM 478 CA MET A 34 -6.902 4.410 6.380 1.00 0.00 C ATOM 479 C MET A 34 -6.745 4.623 4.877 1.00 0.00 C ATOM 480 O MET A 34 -6.666 5.757 4.405 1.00 0.00 O ATOM 481 CB MET A 34 -5.631 3.780 6.953 1.00 0.00 C ATOM 482 CG MET A 34 -4.428 4.709 6.926 1.00 0.00 C ATOM 483 SD MET A 34 -4.312 5.740 8.400 1.00 0.00 S ATOM 484 CE MET A 34 -3.524 4.609 9.543 1.00 0.00 C ATOM 0 H MET A 34 -7.835 2.690 7.136 1.00 0.00 H new ATOM 0 HA MET A 34 -7.063 5.379 6.852 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.819 3.472 7.982 1.00 0.00 H new ATOM 0 HB3 MET A 34 -5.396 2.878 6.388 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.518 4.116 6.830 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.487 5.348 6.045 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.384 5.103 10.505 1.00 0.00 H new ATOM 0 HE2 MET A 34 -4.153 3.729 9.675 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.555 4.306 9.146 1.00 0.00 H new ATOM 494 N THR A 35 -6.700 3.524 4.130 1.00 0.00 N ATOM 495 CA THR A 35 -6.551 3.591 2.682 1.00 0.00 C ATOM 496 C THR A 35 -7.436 4.680 2.087 1.00 0.00 C ATOM 497 O THR A 35 -7.119 5.249 1.043 1.00 0.00 O ATOM 498 CB THR A 35 -6.898 2.244 2.018 1.00 0.00 C ATOM 499 OG1 THR A 35 -6.140 1.191 2.623 1.00 0.00 O ATOM 500 CG2 THR A 35 -6.614 2.288 0.525 1.00 0.00 C ATOM 0 H THR A 35 -6.765 2.577 4.504 1.00 0.00 H new ATOM 0 HA THR A 35 -5.506 3.827 2.483 1.00 0.00 H new ATOM 0 HB THR A 35 -7.962 2.055 2.163 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.452 1.049 3.541 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.867 1.326 0.078 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.215 3.072 0.063 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.557 2.497 0.362 1.00 0.00 H new ATOM 508 N GLU A 36 -8.547 4.966 2.759 1.00 0.00 N ATOM 509 CA GLU A 36 -9.478 5.988 2.296 1.00 0.00 C ATOM 510 C GLU A 36 -8.970 7.384 2.642 1.00 0.00 C ATOM 511 O GLU A 36 -8.613 8.163 1.759 1.00 0.00 O ATOM 512 CB GLU A 36 -10.860 5.769 2.914 1.00 0.00 C ATOM 513 CG GLU A 36 -11.752 4.846 2.100 1.00 0.00 C ATOM 514 CD GLU A 36 -12.577 5.591 1.069 1.00 0.00 C ATOM 515 OE1 GLU A 36 -13.414 6.426 1.471 1.00 0.00 O ATOM 516 OE2 GLU A 36 -12.386 5.339 -0.139 1.00 0.00 O ATOM 0 H GLU A 36 -8.824 4.504 3.625 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.556 5.907 1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.740 5.354 3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.355 6.733 3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.135 4.101 1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.419 4.306 2.772 1.00 0.00 H new ATOM 523 N MET A 37 -8.941 7.693 3.935 1.00 0.00 N ATOM 524 CA MET A 37 -8.476 8.995 4.398 1.00 0.00 C ATOM 525 C MET A 37 -7.222 9.426 3.643 1.00 0.00 C ATOM 526 O MET A 37 -7.044 10.605 3.340 1.00 0.00 O ATOM 527 CB MET A 37 -8.191 8.953 5.901 1.00 0.00 C ATOM 528 CG MET A 37 -6.837 8.354 6.246 1.00 0.00 C ATOM 529 SD MET A 37 -6.398 8.583 7.980 1.00 0.00 S ATOM 530 CE MET A 37 -7.726 7.692 8.786 1.00 0.00 C ATOM 0 H MET A 37 -9.234 7.060 4.679 1.00 0.00 H new ATOM 0 HA MET A 37 -9.263 9.724 4.204 1.00 0.00 H new ATOM 0 HB2 MET A 37 -8.244 9.966 6.301 1.00 0.00 H new ATOM 0 HB3 MET A 37 -8.972 8.374 6.395 1.00 0.00 H new ATOM 0 HG2 MET A 37 -6.846 7.289 6.015 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.072 8.810 5.618 1.00 0.00 H new ATOM 0 HE1 MET A 37 -7.331 7.149 9.645 1.00 0.00 H new ATOM 0 HE2 MET A 37 -8.487 8.397 9.121 1.00 0.00 H new ATOM 0 HE3 MET A 37 -8.170 6.987 8.083 1.00 0.00 H new ATOM 540 N GLN A 38 -6.358 8.462 3.342 1.00 0.00 N ATOM 541 CA GLN A 38 -5.121 8.743 2.623 1.00 0.00 C ATOM 542 C GLN A 38 -5.413 9.227 1.207 1.00 0.00 C ATOM 543 O GLN A 38 -4.852 10.224 0.753 1.00 0.00 O ATOM 544 CB GLN A 38 -4.239 7.494 2.576 1.00 0.00 C ATOM 545 CG GLN A 38 -3.700 7.078 3.936 1.00 0.00 C ATOM 546 CD GLN A 38 -2.791 8.126 4.548 1.00 0.00 C ATOM 547 OE1 GLN A 38 -2.782 8.200 5.874 1.00 0.00 O flip ATOM 548 NE2 GLN A 38 -2.104 8.860 3.838 1.00 0.00 N flip ATOM 0 H GLN A 38 -6.492 7.480 3.585 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.592 9.533 3.156 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.814 6.669 2.154 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.401 7.676 1.903 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.535 6.887 4.611 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.152 6.141 3.835 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.142 8.769 2.823 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.497 9.560 4.265 1.00 0.00 H new ATOM 557 N GLY A 39 -6.294 8.514 0.512 1.00 0.00 N ATOM 558 CA GLY A 39 -6.645 8.886 -0.846 1.00 0.00 C ATOM 559 C GLY A 39 -6.726 7.689 -1.773 1.00 0.00 C ATOM 560 O GLY A 39 -6.377 7.781 -2.949 1.00 0.00 O ATOM 0 H GLY A 39 -6.771 7.685 0.866 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.604 9.403 -0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.906 9.589 -1.229 1.00 0.00 H new ATOM 564 N GLY A 40 -7.187 6.561 -1.241 1.00 0.00 N ATOM 565 CA GLY A 40 -7.303 5.357 -2.042 1.00 0.00 C ATOM 566 C GLY A 40 -8.502 4.515 -1.653 1.00 0.00 C ATOM 567 O GLY A 40 -9.280 4.897 -0.779 1.00 0.00 O ATOM 0 H GLY A 40 -7.482 6.460 -0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.381 5.631 -3.094 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.395 4.763 -1.933 1.00 0.00 H new ATOM 571 N SER A 41 -8.652 3.365 -2.303 1.00 0.00 N ATOM 572 CA SER A 41 -9.767 2.469 -2.024 1.00 0.00 C ATOM 573 C SER A 41 -9.266 1.078 -1.646 1.00 0.00 C ATOM 574 O SER A 41 -8.101 0.746 -1.864 1.00 0.00 O ATOM 575 CB SER A 41 -10.692 2.377 -3.239 1.00 0.00 C ATOM 576 OG SER A 41 -11.454 3.562 -3.391 1.00 0.00 O ATOM 0 H SER A 41 -8.015 3.032 -3.027 1.00 0.00 H new ATOM 0 HA SER A 41 -10.325 2.877 -1.181 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.100 2.204 -4.138 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.360 1.523 -3.127 1.00 0.00 H new ATOM 0 HG SER A 41 -12.036 3.479 -4.175 1.00 0.00 H new ATOM 582 N TYR A 42 -10.154 0.270 -1.077 1.00 0.00 N ATOM 583 CA TYR A 42 -9.803 -1.084 -0.666 1.00 0.00 C ATOM 584 C TYR A 42 -10.847 -2.087 -1.146 1.00 0.00 C ATOM 585 O TYR A 42 -12.049 -1.830 -1.079 1.00 0.00 O ATOM 586 CB TYR A 42 -9.669 -1.158 0.856 1.00 0.00 C ATOM 587 CG TYR A 42 -10.883 -0.644 1.596 1.00 0.00 C ATOM 588 CD1 TYR A 42 -11.942 -1.488 1.906 1.00 0.00 C ATOM 589 CD2 TYR A 42 -10.970 0.687 1.987 1.00 0.00 C ATOM 590 CE1 TYR A 42 -13.053 -1.022 2.581 1.00 0.00 C ATOM 591 CE2 TYR A 42 -12.077 1.161 2.664 1.00 0.00 C ATOM 592 CZ TYR A 42 -13.116 0.303 2.958 1.00 0.00 C ATOM 593 OH TYR A 42 -14.221 0.771 3.633 1.00 0.00 O ATOM 0 H TYR A 42 -11.123 0.530 -0.890 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.846 -1.339 -1.121 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -9.488 -2.193 1.147 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.796 -0.583 1.164 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -11.896 -2.527 1.614 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -10.159 1.362 1.758 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -13.868 -1.692 2.812 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -12.129 2.198 2.961 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.107 1.725 3.826 1.00 0.00 H new ATOM 603 N LEU A 43 -10.378 -3.232 -1.630 1.00 0.00 N ATOM 604 CA LEU A 43 -11.270 -4.277 -2.122 1.00 0.00 C ATOM 605 C LEU A 43 -10.961 -5.614 -1.456 1.00 0.00 C ATOM 606 O LEU A 43 -9.849 -5.861 -0.989 1.00 0.00 O ATOM 607 CB LEU A 43 -11.144 -4.410 -3.641 1.00 0.00 C ATOM 608 CG LEU A 43 -12.007 -3.459 -4.471 1.00 0.00 C ATOM 609 CD1 LEU A 43 -11.641 -3.556 -5.944 1.00 0.00 C ATOM 610 CD2 LEU A 43 -13.484 -3.764 -4.266 1.00 0.00 C ATOM 0 H LEU A 43 -9.386 -3.460 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.293 -3.995 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.100 -4.254 -3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.396 -5.433 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.817 -2.439 -4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.265 -2.872 -6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.593 -3.289 -6.077 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.803 -4.576 -6.293 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.084 -3.078 -4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.690 -4.789 -4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.738 -3.644 -3.213 1.00 0.00 H new ATOM 622 N PRO A 44 -11.967 -6.499 -1.411 1.00 0.00 N ATOM 623 CA PRO A 44 -11.827 -7.827 -0.807 1.00 0.00 C ATOM 624 C PRO A 44 -10.926 -8.745 -1.627 1.00 0.00 C ATOM 625 O PRO A 44 -10.921 -8.689 -2.856 1.00 0.00 O ATOM 626 CB PRO A 44 -13.261 -8.362 -0.789 1.00 0.00 C ATOM 627 CG PRO A 44 -13.950 -7.636 -1.893 1.00 0.00 C ATOM 628 CD PRO A 44 -13.320 -6.272 -1.947 1.00 0.00 C ATOM 0 HA PRO A 44 -11.363 -7.780 0.178 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.283 -9.440 -0.949 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.742 -8.172 0.170 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.828 -8.160 -2.841 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.021 -7.564 -1.704 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.289 -5.884 -2.965 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.874 -5.550 -1.347 1.00 0.00 H new ATOM 636 N VAL A 45 -10.166 -9.590 -0.938 1.00 0.00 N ATOM 637 CA VAL A 45 -9.262 -10.521 -1.602 1.00 0.00 C ATOM 638 C VAL A 45 -9.996 -11.342 -2.657 1.00 0.00 C ATOM 639 O VAL A 45 -11.196 -11.590 -2.541 1.00 0.00 O ATOM 640 CB VAL A 45 -8.600 -11.478 -0.593 1.00 0.00 C ATOM 641 CG1 VAL A 45 -7.549 -12.336 -1.281 1.00 0.00 C ATOM 642 CG2 VAL A 45 -7.990 -10.695 0.560 1.00 0.00 C ATOM 0 H VAL A 45 -10.158 -9.649 0.080 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.489 -9.922 -2.084 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.366 -12.140 -0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.092 -13.006 -0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.019 -12.924 -2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.782 -11.694 -1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.526 -11.386 1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.236 -10.009 0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.770 -10.129 1.068 1.00 0.00 H new ATOM 652 N GLY A 46 -9.267 -11.761 -3.686 1.00 0.00 N ATOM 653 CA GLY A 46 -9.865 -12.550 -4.747 1.00 0.00 C ATOM 654 C GLY A 46 -10.221 -11.715 -5.961 1.00 0.00 C ATOM 655 O GLY A 46 -9.851 -12.053 -7.086 1.00 0.00 O ATOM 0 H GLY A 46 -8.272 -11.568 -3.804 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.173 -13.339 -5.043 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.763 -13.039 -4.370 1.00 0.00 H new ATOM 659 N ASP A 47 -10.942 -10.622 -5.735 1.00 0.00 N ATOM 660 CA ASP A 47 -11.348 -9.736 -6.819 1.00 0.00 C ATOM 661 C ASP A 47 -10.162 -9.394 -7.715 1.00 0.00 C ATOM 662 O ASP A 47 -9.010 -9.634 -7.354 1.00 0.00 O ATOM 663 CB ASP A 47 -11.964 -8.455 -6.256 1.00 0.00 C ATOM 664 CG ASP A 47 -12.958 -7.822 -7.210 1.00 0.00 C ATOM 665 OD1 ASP A 47 -12.518 -7.112 -8.139 1.00 0.00 O ATOM 666 OD2 ASP A 47 -14.175 -8.035 -7.028 1.00 0.00 O ATOM 0 H ASP A 47 -11.257 -10.329 -4.810 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.095 -10.256 -7.419 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.462 -8.679 -5.313 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.171 -7.740 -6.036 1.00 0.00 H new ATOM 671 N GLU A 48 -10.452 -8.832 -8.884 1.00 0.00 N ATOM 672 CA GLU A 48 -9.408 -8.459 -9.832 1.00 0.00 C ATOM 673 C GLU A 48 -9.241 -6.943 -9.888 1.00 0.00 C ATOM 674 O GLU A 48 -8.133 -6.436 -10.064 1.00 0.00 O ATOM 675 CB GLU A 48 -9.737 -8.999 -11.225 1.00 0.00 C ATOM 676 CG GLU A 48 -10.886 -8.273 -11.904 1.00 0.00 C ATOM 677 CD GLU A 48 -11.413 -9.018 -13.115 1.00 0.00 C ATOM 678 OE1 GLU A 48 -12.221 -9.952 -12.933 1.00 0.00 O ATOM 679 OE2 GLU A 48 -11.017 -8.665 -14.246 1.00 0.00 O ATOM 0 H GLU A 48 -11.400 -8.625 -9.197 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.470 -8.898 -9.492 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.849 -8.924 -11.853 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.983 -10.058 -11.146 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.696 -8.132 -11.188 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.554 -7.280 -12.209 1.00 0.00 H new ATOM 686 N ARG A 49 -10.349 -6.226 -9.737 1.00 0.00 N ATOM 687 CA ARG A 49 -10.327 -4.768 -9.772 1.00 0.00 C ATOM 688 C ARG A 49 -9.167 -4.223 -8.944 1.00 0.00 C ATOM 689 O ARG A 49 -8.652 -3.138 -9.218 1.00 0.00 O ATOM 690 CB ARG A 49 -11.649 -4.204 -9.251 1.00 0.00 C ATOM 691 CG ARG A 49 -12.845 -4.550 -10.123 1.00 0.00 C ATOM 692 CD ARG A 49 -13.981 -3.558 -9.930 1.00 0.00 C ATOM 693 NE ARG A 49 -13.593 -2.201 -10.304 1.00 0.00 N ATOM 694 CZ ARG A 49 -14.452 -1.192 -10.404 1.00 0.00 C ATOM 695 NH1 ARG A 49 -15.740 -1.387 -10.159 1.00 0.00 N ATOM 696 NH2 ARG A 49 -14.022 0.014 -10.751 1.00 0.00 N ATOM 0 H ARG A 49 -11.274 -6.630 -9.589 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.191 -4.456 -10.807 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.823 -4.582 -8.243 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.567 -3.120 -9.175 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.543 -4.559 -11.170 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.193 -5.555 -9.883 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.838 -3.868 -10.528 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.299 -3.570 -8.887 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.609 -2.017 -10.499 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.074 -2.313 -9.893 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.397 -0.611 -10.236 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.032 0.167 -10.941 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.682 0.788 -10.828 1.00 0.00 H new ATOM 710 N CYS A 50 -8.762 -4.981 -7.931 1.00 0.00 N ATOM 711 CA CYS A 50 -7.664 -4.572 -7.062 1.00 0.00 C ATOM 712 C CYS A 50 -6.371 -4.416 -7.856 1.00 0.00 C ATOM 713 O CYS A 50 -5.975 -5.313 -8.601 1.00 0.00 O ATOM 714 CB CYS A 50 -7.467 -5.593 -5.940 1.00 0.00 C ATOM 715 SG CYS A 50 -7.432 -7.311 -6.503 1.00 0.00 S ATOM 0 H CYS A 50 -9.177 -5.881 -7.691 1.00 0.00 H new ATOM 0 HA CYS A 50 -7.919 -3.607 -6.625 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.533 -5.372 -5.422 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -8.270 -5.477 -5.212 1.00 0.00 H new ATOM 0 HG CYS A 50 -8.607 -7.844 -6.342 1.00 0.00 H new ATOM 721 N THR A 51 -5.717 -3.270 -7.693 1.00 0.00 N ATOM 722 CA THR A 51 -4.471 -2.995 -8.396 1.00 0.00 C ATOM 723 C THR A 51 -3.271 -3.523 -7.617 1.00 0.00 C ATOM 724 O THR A 51 -2.362 -4.088 -8.223 1.00 0.00 O ATOM 725 CB THR A 51 -4.285 -1.486 -8.641 1.00 0.00 C ATOM 726 OG1 THR A 51 -4.380 -0.773 -7.402 1.00 0.00 O ATOM 727 CG2 THR A 51 -5.331 -0.962 -9.614 1.00 0.00 C ATOM 0 H THR A 51 -6.030 -2.517 -7.080 1.00 0.00 H new ATOM 0 HA THR A 51 -4.531 -3.507 -9.356 1.00 0.00 H new ATOM 0 HB THR A 51 -3.297 -1.330 -9.075 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.493 -0.715 -6.989 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.179 0.106 -9.771 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.238 -1.486 -10.565 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.327 -1.130 -9.203 1.00 0.00 H new ATOM 735 N HIS A 52 -3.295 -3.332 -6.307 1.00 0.00 N ATOM 736 CA HIS A 52 -2.205 -3.794 -5.463 1.00 0.00 C ATOM 737 C HIS A 52 -2.731 -4.829 -4.466 1.00 0.00 C ATOM 738 O HIS A 52 -3.928 -4.921 -4.190 1.00 0.00 O ATOM 739 CB HIS A 52 -1.508 -2.615 -4.782 1.00 0.00 C ATOM 740 CG HIS A 52 -0.862 -1.645 -5.743 1.00 0.00 C ATOM 741 ND1 HIS A 52 -1.589 -0.886 -6.643 1.00 0.00 N ATOM 742 CD2 HIS A 52 0.448 -1.318 -5.933 1.00 0.00 C ATOM 743 CE1 HIS A 52 -0.744 -0.140 -7.339 1.00 0.00 C ATOM 744 NE2 HIS A 52 0.518 -0.410 -6.898 1.00 0.00 N ATOM 0 H HIS A 52 -4.052 -2.864 -5.808 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.448 -4.283 -6.076 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.236 -2.078 -4.174 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.747 -2.999 -4.103 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.287 -1.728 -5.390 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.008 0.559 -8.119 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.375 0.016 -7.252 1.00 0.00 H new ATOM 752 N LEU A 53 -1.803 -5.611 -3.927 1.00 0.00 N ATOM 753 CA LEU A 53 -2.144 -6.647 -2.959 1.00 0.00 C ATOM 754 C LEU A 53 -1.121 -6.694 -1.828 1.00 0.00 C ATOM 755 O LEU A 53 0.071 -6.889 -2.065 1.00 0.00 O ATOM 756 CB LEU A 53 -2.223 -8.011 -3.647 1.00 0.00 C ATOM 757 CG LEU A 53 -2.136 -9.232 -2.730 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.150 -9.125 -1.602 1.00 0.00 C ATOM 759 CD2 LEU A 53 -2.354 -10.512 -3.525 1.00 0.00 C ATOM 0 H LEU A 53 -0.808 -5.547 -4.144 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.118 -6.405 -2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.161 -8.063 -4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.418 -8.073 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.138 -9.264 -2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.074 -10.002 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.949 -8.228 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.155 -9.068 -2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.289 -11.371 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.340 -10.488 -3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.590 -10.595 -4.298 1.00 0.00 H new ATOM 771 N ILE A 54 -1.596 -6.516 -0.600 1.00 0.00 N ATOM 772 CA ILE A 54 -0.723 -6.541 0.567 1.00 0.00 C ATOM 773 C ILE A 54 -0.997 -7.767 1.432 1.00 0.00 C ATOM 774 O ILE A 54 -2.034 -7.857 2.090 1.00 0.00 O ATOM 775 CB ILE A 54 -0.892 -5.273 1.424 1.00 0.00 C ATOM 776 CG1 ILE A 54 -0.389 -4.045 0.663 1.00 0.00 C ATOM 777 CG2 ILE A 54 -0.152 -5.424 2.745 1.00 0.00 C ATOM 778 CD1 ILE A 54 -1.425 -3.439 -0.258 1.00 0.00 C ATOM 0 H ILE A 54 -2.580 -6.353 -0.387 1.00 0.00 H new ATOM 0 HA ILE A 54 0.301 -6.583 0.195 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.952 -5.135 1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.066 -3.290 1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.487 -4.324 0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.281 -4.520 3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.553 -6.278 3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.909 -5.583 2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.999 -2.573 -0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.731 -4.178 -0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.292 -3.129 0.324 1.00 0.00 H new ATOM 790 N VAL A 55 -0.059 -8.708 1.428 1.00 0.00 N ATOM 791 CA VAL A 55 -0.197 -9.928 2.215 1.00 0.00 C ATOM 792 C VAL A 55 0.821 -9.969 3.349 1.00 0.00 C ATOM 793 O VAL A 55 1.975 -9.580 3.174 1.00 0.00 O ATOM 794 CB VAL A 55 -0.024 -11.184 1.339 1.00 0.00 C ATOM 795 CG1 VAL A 55 1.284 -11.118 0.565 1.00 0.00 C ATOM 796 CG2 VAL A 55 -0.085 -12.441 2.193 1.00 0.00 C ATOM 0 H VAL A 55 0.805 -8.649 0.889 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.203 -9.922 2.634 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.843 -11.221 0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.390 -12.013 -0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.283 -10.237 -0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.118 -11.057 1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.039 -13.318 1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.712 -12.415 2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.050 -12.492 2.698 1.00 0.00 H new ATOM 806 N GLU A 56 0.384 -10.443 4.512 1.00 0.00 N ATOM 807 CA GLU A 56 1.258 -10.534 5.676 1.00 0.00 C ATOM 808 C GLU A 56 2.186 -11.740 5.567 1.00 0.00 C ATOM 809 O GLU A 56 1.887 -12.814 6.087 1.00 0.00 O ATOM 810 CB GLU A 56 0.429 -10.628 6.958 1.00 0.00 C ATOM 811 CG GLU A 56 1.265 -10.837 8.210 1.00 0.00 C ATOM 812 CD GLU A 56 0.487 -10.566 9.483 1.00 0.00 C ATOM 813 OE1 GLU A 56 -0.425 -9.713 9.450 1.00 0.00 O ATOM 814 OE2 GLU A 56 0.789 -11.207 10.511 1.00 0.00 O ATOM 0 H GLU A 56 -0.569 -10.769 4.673 1.00 0.00 H new ATOM 0 HA GLU A 56 1.868 -9.631 5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.156 -9.715 7.070 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.280 -11.451 6.863 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.637 -11.861 8.227 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.136 -10.182 8.174 1.00 0.00 H new ATOM 821 N GLU A 57 3.312 -11.554 4.885 1.00 0.00 N ATOM 822 CA GLU A 57 4.282 -12.627 4.707 1.00 0.00 C ATOM 823 C GLU A 57 4.710 -13.204 6.053 1.00 0.00 C ATOM 824 O GLU A 57 5.243 -14.310 6.125 1.00 0.00 O ATOM 825 CB GLU A 57 5.508 -12.116 3.946 1.00 0.00 C ATOM 826 CG GLU A 57 6.316 -11.086 4.716 1.00 0.00 C ATOM 827 CD GLU A 57 7.342 -11.718 5.636 1.00 0.00 C ATOM 828 OE1 GLU A 57 7.309 -12.956 5.799 1.00 0.00 O ATOM 829 OE2 GLU A 57 8.178 -10.976 6.192 1.00 0.00 O ATOM 0 H GLU A 57 3.574 -10.671 4.447 1.00 0.00 H new ATOM 0 HA GLU A 57 3.807 -13.418 4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.151 -12.961 3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.183 -11.679 3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.823 -10.427 4.011 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.640 -10.465 5.304 1.00 0.00 H new ATOM 836 N ASN A 58 4.473 -12.444 7.118 1.00 0.00 N ATOM 837 CA ASN A 58 4.835 -12.878 8.462 1.00 0.00 C ATOM 838 C ASN A 58 4.139 -14.188 8.817 1.00 0.00 C ATOM 839 O ASN A 58 4.737 -15.079 9.420 1.00 0.00 O ATOM 840 CB ASN A 58 4.469 -11.800 9.484 1.00 0.00 C ATOM 841 CG ASN A 58 5.568 -10.769 9.657 1.00 0.00 C ATOM 842 OD1 ASN A 58 6.754 -11.093 9.591 1.00 0.00 O ATOM 843 ND2 ASN A 58 5.178 -9.520 9.879 1.00 0.00 N ATOM 0 H ASN A 58 4.032 -11.525 7.076 1.00 0.00 H new ATOM 0 HA ASN A 58 5.912 -13.042 8.486 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.553 -11.301 9.169 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.261 -12.270 10.445 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.872 -8.783 10.003 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.184 -9.297 9.926 1.00 0.00 H new ATOM 850 N THR A 59 2.869 -14.299 8.437 1.00 0.00 N ATOM 851 CA THR A 59 2.090 -15.499 8.715 1.00 0.00 C ATOM 852 C THR A 59 1.633 -16.169 7.424 1.00 0.00 C ATOM 853 O THR A 59 1.814 -17.372 7.240 1.00 0.00 O ATOM 854 CB THR A 59 0.856 -15.180 9.580 1.00 0.00 C ATOM 855 OG1 THR A 59 0.205 -16.394 9.971 1.00 0.00 O ATOM 856 CG2 THR A 59 -0.122 -14.296 8.822 1.00 0.00 C ATOM 0 H THR A 59 2.359 -13.572 7.936 1.00 0.00 H new ATOM 0 HA THR A 59 2.742 -16.179 9.263 1.00 0.00 H new ATOM 0 HB THR A 59 1.191 -14.645 10.469 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.578 -16.183 10.522 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.985 -14.084 9.453 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.368 -13.361 8.551 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.450 -14.809 7.918 1.00 0.00 H new ATOM 864 N VAL A 60 1.040 -15.381 6.532 1.00 0.00 N ATOM 865 CA VAL A 60 0.558 -15.898 5.257 1.00 0.00 C ATOM 866 C VAL A 60 1.697 -16.501 4.443 1.00 0.00 C ATOM 867 O VAL A 60 2.611 -15.796 4.014 1.00 0.00 O ATOM 868 CB VAL A 60 -0.124 -14.795 4.426 1.00 0.00 C ATOM 869 CG1 VAL A 60 -0.645 -15.360 3.113 1.00 0.00 C ATOM 870 CG2 VAL A 60 -1.248 -14.148 5.221 1.00 0.00 C ATOM 0 H VAL A 60 0.882 -14.383 6.669 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.172 -16.674 5.486 1.00 0.00 H new ATOM 0 HB VAL A 60 0.615 -14.028 4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.124 -14.566 2.540 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.185 -15.772 2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.370 -16.147 3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.719 -13.371 4.619 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.989 -14.903 5.484 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.842 -13.706 6.131 1.00 0.00 H new ATOM 880 N LYS A 61 1.637 -17.812 4.232 1.00 0.00 N ATOM 881 CA LYS A 61 2.662 -18.512 3.467 1.00 0.00 C ATOM 882 C LYS A 61 2.286 -18.583 1.991 1.00 0.00 C ATOM 883 O LYS A 61 3.124 -18.367 1.116 1.00 0.00 O ATOM 884 CB LYS A 61 2.865 -19.924 4.021 1.00 0.00 C ATOM 885 CG LYS A 61 3.827 -19.984 5.196 1.00 0.00 C ATOM 886 CD LYS A 61 4.365 -21.390 5.404 1.00 0.00 C ATOM 887 CE LYS A 61 3.393 -22.247 6.199 1.00 0.00 C ATOM 888 NZ LYS A 61 3.138 -21.684 7.554 1.00 0.00 N ATOM 0 H LYS A 61 0.889 -18.411 4.580 1.00 0.00 H new ATOM 0 HA LYS A 61 3.594 -17.954 3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.900 -20.326 4.331 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.237 -20.568 3.224 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.656 -19.298 5.024 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.319 -19.650 6.101 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.554 -21.855 4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.320 -21.341 5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.451 -22.327 5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.793 -23.256 6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.279 -22.425 8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.796 -20.899 7.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.160 -21.334 7.606 1.00 0.00 H new ATOM 902 N ASP A 62 1.021 -18.885 1.721 1.00 0.00 N ATOM 903 CA ASP A 62 0.533 -18.982 0.350 1.00 0.00 C ATOM 904 C ASP A 62 -0.802 -18.259 0.196 1.00 0.00 C ATOM 905 O ASP A 62 -1.528 -18.059 1.171 1.00 0.00 O ATOM 906 CB ASP A 62 0.383 -20.448 -0.058 1.00 0.00 C ATOM 907 CG ASP A 62 -0.238 -21.294 1.037 1.00 0.00 C ATOM 908 OD1 ASP A 62 -1.474 -21.238 1.200 1.00 0.00 O ATOM 909 OD2 ASP A 62 0.513 -22.011 1.731 1.00 0.00 O ATOM 0 H ASP A 62 0.314 -19.067 2.434 1.00 0.00 H new ATOM 0 HA ASP A 62 1.262 -18.504 -0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.233 -20.511 -0.955 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.362 -20.853 -0.314 1.00 0.00 H new ATOM 914 N LEU A 63 -1.119 -17.869 -1.034 1.00 0.00 N ATOM 915 CA LEU A 63 -2.366 -17.168 -1.316 1.00 0.00 C ATOM 916 C LEU A 63 -3.489 -18.154 -1.619 1.00 0.00 C ATOM 917 O LEU A 63 -3.282 -19.199 -2.236 1.00 0.00 O ATOM 918 CB LEU A 63 -2.180 -16.211 -2.495 1.00 0.00 C ATOM 919 CG LEU A 63 -1.026 -15.215 -2.376 1.00 0.00 C ATOM 920 CD1 LEU A 63 -0.522 -14.815 -3.754 1.00 0.00 C ATOM 921 CD2 LEU A 63 -1.459 -13.988 -1.588 1.00 0.00 C ATOM 0 H LEU A 63 -0.530 -18.027 -1.851 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.640 -16.595 -0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.030 -16.803 -3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.105 -15.650 -2.631 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.209 -15.697 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.299 -14.106 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.171 -15.700 -4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.332 -14.352 -4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.625 -13.290 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.292 -13.504 -2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.770 -14.289 -0.588 1.00 0.00 H new ATOM 933 N PRO A 64 -4.710 -17.815 -1.177 1.00 0.00 N ATOM 934 CA PRO A 64 -5.891 -18.656 -1.392 1.00 0.00 C ATOM 935 C PRO A 64 -6.322 -18.688 -2.854 1.00 0.00 C ATOM 936 O PRO A 64 -7.051 -19.586 -3.278 1.00 0.00 O ATOM 937 CB PRO A 64 -6.965 -17.985 -0.532 1.00 0.00 C ATOM 938 CG PRO A 64 -6.534 -16.563 -0.429 1.00 0.00 C ATOM 939 CD PRO A 64 -5.030 -16.585 -0.435 1.00 0.00 C ATOM 0 HA PRO A 64 -5.703 -19.697 -1.129 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.950 -18.068 -0.992 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.033 -18.450 0.451 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.919 -15.977 -1.264 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.914 -16.105 0.484 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.617 -15.702 -0.923 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.624 -16.609 0.576 1.00 0.00 H new ATOM 947 N PHE A 65 -5.867 -17.704 -3.622 1.00 0.00 N ATOM 948 CA PHE A 65 -6.206 -17.620 -5.038 1.00 0.00 C ATOM 949 C PHE A 65 -4.957 -17.386 -5.883 1.00 0.00 C ATOM 950 O PHE A 65 -3.875 -17.135 -5.354 1.00 0.00 O ATOM 951 CB PHE A 65 -7.215 -16.494 -5.276 1.00 0.00 C ATOM 952 CG PHE A 65 -6.591 -15.129 -5.318 1.00 0.00 C ATOM 953 CD1 PHE A 65 -6.150 -14.518 -4.155 1.00 0.00 C ATOM 954 CD2 PHE A 65 -6.446 -14.455 -6.520 1.00 0.00 C ATOM 955 CE1 PHE A 65 -5.575 -13.261 -4.190 1.00 0.00 C ATOM 956 CE2 PHE A 65 -5.872 -13.199 -6.562 1.00 0.00 C ATOM 957 CZ PHE A 65 -5.437 -12.601 -5.395 1.00 0.00 C ATOM 0 H PHE A 65 -5.263 -16.953 -3.288 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.653 -18.568 -5.336 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.735 -16.676 -6.216 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.966 -16.517 -4.486 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.257 -15.030 -3.210 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.786 -14.917 -7.435 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.234 -12.796 -3.277 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.763 -12.685 -7.506 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.990 -11.619 -5.425 1.00 0.00 H new ATOM 967 N GLU A 66 -5.117 -17.470 -7.200 1.00 0.00 N ATOM 968 CA GLU A 66 -4.002 -17.269 -8.119 1.00 0.00 C ATOM 969 C GLU A 66 -4.132 -15.935 -8.848 1.00 0.00 C ATOM 970 O GLU A 66 -4.741 -15.839 -9.914 1.00 0.00 O ATOM 971 CB GLU A 66 -3.936 -18.413 -9.133 1.00 0.00 C ATOM 972 CG GLU A 66 -2.787 -18.286 -10.119 1.00 0.00 C ATOM 973 CD GLU A 66 -1.473 -18.787 -9.553 1.00 0.00 C ATOM 974 OE1 GLU A 66 -1.421 -19.957 -9.121 1.00 0.00 O ATOM 975 OE2 GLU A 66 -0.497 -18.009 -9.543 1.00 0.00 O ATOM 0 H GLU A 66 -6.007 -17.676 -7.654 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.081 -17.256 -7.536 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.841 -19.357 -8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.875 -18.453 -9.685 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.026 -18.846 -11.023 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.678 -17.241 -10.411 1.00 0.00 H new ATOM 982 N PRO A 67 -3.548 -14.881 -8.261 1.00 0.00 N ATOM 983 CA PRO A 67 -3.584 -13.533 -8.837 1.00 0.00 C ATOM 984 C PRO A 67 -2.740 -13.420 -10.102 1.00 0.00 C ATOM 985 O PRO A 67 -1.796 -14.185 -10.300 1.00 0.00 O ATOM 986 CB PRO A 67 -3.001 -12.657 -7.725 1.00 0.00 C ATOM 987 CG PRO A 67 -2.139 -13.576 -6.930 1.00 0.00 C ATOM 988 CD PRO A 67 -2.806 -14.923 -6.990 1.00 0.00 C ATOM 0 HA PRO A 67 -4.591 -13.246 -9.141 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.423 -11.829 -8.136 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.789 -12.222 -7.110 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.131 -13.621 -7.343 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.047 -13.231 -5.900 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.077 -15.733 -6.977 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.472 -15.080 -6.141 1.00 0.00 H new ATOM 996 N SER A 68 -3.086 -12.462 -10.955 1.00 0.00 N ATOM 997 CA SER A 68 -2.362 -12.252 -12.203 1.00 0.00 C ATOM 998 C SER A 68 -1.139 -11.368 -11.979 1.00 0.00 C ATOM 999 O SER A 68 -1.063 -10.629 -10.997 1.00 0.00 O ATOM 1000 CB SER A 68 -3.280 -11.616 -13.249 1.00 0.00 C ATOM 1001 OG SER A 68 -4.357 -12.478 -13.574 1.00 0.00 O ATOM 0 H SER A 68 -3.863 -11.819 -10.805 1.00 0.00 H new ATOM 0 HA SER A 68 -2.026 -13.223 -12.567 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.668 -10.671 -12.870 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.708 -11.388 -14.149 1.00 0.00 H new ATOM 0 HG SER A 68 -4.930 -12.048 -14.243 1.00 0.00 H new ATOM 1007 N LYS A 69 -0.182 -11.449 -12.897 1.00 0.00 N ATOM 1008 CA LYS A 69 1.038 -10.657 -12.803 1.00 0.00 C ATOM 1009 C LYS A 69 0.715 -9.172 -12.670 1.00 0.00 C ATOM 1010 O LYS A 69 1.334 -8.460 -11.880 1.00 0.00 O ATOM 1011 CB LYS A 69 1.918 -10.890 -14.034 1.00 0.00 C ATOM 1012 CG LYS A 69 2.857 -12.076 -13.895 1.00 0.00 C ATOM 1013 CD LYS A 69 2.137 -13.389 -14.151 1.00 0.00 C ATOM 1014 CE LYS A 69 2.880 -14.563 -13.531 1.00 0.00 C ATOM 1015 NZ LYS A 69 2.479 -14.787 -12.114 1.00 0.00 N ATOM 0 H LYS A 69 -0.228 -12.056 -13.715 1.00 0.00 H new ATOM 0 HA LYS A 69 1.579 -10.974 -11.911 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.279 -11.043 -14.903 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.506 -9.992 -14.225 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.684 -11.971 -14.597 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.288 -12.085 -12.894 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.128 -13.338 -13.741 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.037 -13.547 -15.225 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.683 -15.465 -14.111 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.953 -14.380 -13.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.007 -15.595 -11.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.690 -13.936 -11.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.459 -14.987 -12.069 1.00 0.00 H new ATOM 1029 N LYS A 70 -0.260 -8.712 -13.447 1.00 0.00 N ATOM 1030 CA LYS A 70 -0.668 -7.313 -13.415 1.00 0.00 C ATOM 1031 C LYS A 70 -0.785 -6.813 -11.978 1.00 0.00 C ATOM 1032 O LYS A 70 -0.367 -5.698 -11.662 1.00 0.00 O ATOM 1033 CB LYS A 70 -2.005 -7.134 -14.138 1.00 0.00 C ATOM 1034 CG LYS A 70 -3.096 -8.067 -13.641 1.00 0.00 C ATOM 1035 CD LYS A 70 -4.242 -8.164 -14.634 1.00 0.00 C ATOM 1036 CE LYS A 70 -3.864 -9.012 -15.839 1.00 0.00 C ATOM 1037 NZ LYS A 70 -4.994 -9.143 -16.801 1.00 0.00 N ATOM 0 H LYS A 70 -0.782 -9.288 -14.107 1.00 0.00 H new ATOM 0 HA LYS A 70 0.096 -6.726 -13.925 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.338 -6.103 -14.018 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.856 -7.299 -15.205 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.677 -9.059 -13.469 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.473 -7.710 -12.683 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.115 -8.595 -14.143 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.524 -7.164 -14.965 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.007 -8.565 -16.343 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.555 -10.002 -15.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.697 -9.728 -17.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.803 -9.593 -16.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.272 -8.200 -17.140 1.00 0.00 H new ATOM 1051 N LEU A 71 -1.353 -7.645 -11.112 1.00 0.00 N ATOM 1052 CA LEU A 71 -1.523 -7.288 -9.707 1.00 0.00 C ATOM 1053 C LEU A 71 -0.184 -7.300 -8.977 1.00 0.00 C ATOM 1054 O LEU A 71 0.543 -8.293 -9.007 1.00 0.00 O ATOM 1055 CB LEU A 71 -2.495 -8.254 -9.029 1.00 0.00 C ATOM 1056 CG LEU A 71 -2.708 -8.049 -7.529 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -3.627 -6.864 -7.277 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -3.275 -9.311 -6.893 1.00 0.00 C ATOM 0 H LEU A 71 -1.704 -8.571 -11.357 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.932 -6.279 -9.661 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.461 -8.175 -9.527 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.136 -9.271 -9.189 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.742 -7.837 -7.070 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.767 -6.734 -6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.181 -5.962 -7.697 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.592 -7.045 -7.749 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.420 -9.147 -5.825 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.231 -9.554 -7.356 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.580 -10.137 -7.042 1.00 0.00 H new ATOM 1070 N PHE A 72 0.136 -6.190 -8.319 1.00 0.00 N ATOM 1071 CA PHE A 72 1.387 -6.073 -7.579 1.00 0.00 C ATOM 1072 C PHE A 72 1.208 -6.525 -6.133 1.00 0.00 C ATOM 1073 O PHE A 72 0.370 -5.993 -5.404 1.00 0.00 O ATOM 1074 CB PHE A 72 1.892 -4.629 -7.615 1.00 0.00 C ATOM 1075 CG PHE A 72 2.179 -4.129 -9.002 1.00 0.00 C ATOM 1076 CD1 PHE A 72 3.270 -4.604 -9.712 1.00 0.00 C ATOM 1077 CD2 PHE A 72 1.357 -3.184 -9.596 1.00 0.00 C ATOM 1078 CE1 PHE A 72 3.537 -4.145 -10.988 1.00 0.00 C ATOM 1079 CE2 PHE A 72 1.619 -2.722 -10.872 1.00 0.00 C ATOM 1080 CZ PHE A 72 2.710 -3.203 -11.569 1.00 0.00 C ATOM 0 H PHE A 72 -0.454 -5.359 -8.283 1.00 0.00 H new ATOM 0 HA PHE A 72 2.124 -6.720 -8.055 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.149 -3.981 -7.150 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.799 -4.555 -7.016 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.919 -5.341 -9.263 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.502 -2.805 -9.056 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.391 -4.522 -11.530 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.971 -1.985 -11.324 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.916 -2.843 -12.566 1.00 0.00 H new ATOM 1090 N VAL A 73 2.001 -7.511 -5.725 1.00 0.00 N ATOM 1091 CA VAL A 73 1.931 -8.035 -4.366 1.00 0.00 C ATOM 1092 C VAL A 73 3.127 -7.578 -3.539 1.00 0.00 C ATOM 1093 O VAL A 73 4.271 -7.924 -3.837 1.00 0.00 O ATOM 1094 CB VAL A 73 1.875 -9.574 -4.361 1.00 0.00 C ATOM 1095 CG1 VAL A 73 1.402 -10.087 -3.009 1.00 0.00 C ATOM 1096 CG2 VAL A 73 0.972 -10.078 -5.476 1.00 0.00 C ATOM 0 H VAL A 73 2.699 -7.963 -6.316 1.00 0.00 H new ATOM 0 HA VAL A 73 1.016 -7.644 -3.922 1.00 0.00 H new ATOM 0 HB VAL A 73 2.880 -9.957 -4.537 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.369 -11.176 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.092 -9.756 -2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.406 -9.697 -2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.944 -11.167 -5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.035 -9.687 -5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.359 -9.741 -6.438 1.00 0.00 H new ATOM 1106 N VAL A 74 2.856 -6.798 -2.497 1.00 0.00 N ATOM 1107 CA VAL A 74 3.910 -6.294 -1.624 1.00 0.00 C ATOM 1108 C VAL A 74 3.643 -6.665 -0.170 1.00 0.00 C ATOM 1109 O VAL A 74 2.532 -7.054 0.190 1.00 0.00 O ATOM 1110 CB VAL A 74 4.047 -4.764 -1.736 1.00 0.00 C ATOM 1111 CG1 VAL A 74 4.696 -4.381 -3.057 1.00 0.00 C ATOM 1112 CG2 VAL A 74 2.689 -4.096 -1.585 1.00 0.00 C ATOM 0 H VAL A 74 1.915 -6.501 -2.237 1.00 0.00 H new ATOM 0 HA VAL A 74 4.841 -6.759 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 74 4.690 -4.414 -0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.784 -3.296 -3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.687 -4.830 -3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.082 -4.742 -3.882 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.804 -3.015 -1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.020 -4.450 -2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.268 -4.343 -0.610 1.00 0.00 H new ATOM 1122 N LYS A 75 4.670 -6.542 0.664 1.00 0.00 N ATOM 1123 CA LYS A 75 4.548 -6.862 2.081 1.00 0.00 C ATOM 1124 C LYS A 75 3.624 -5.874 2.785 1.00 0.00 C ATOM 1125 O LYS A 75 3.025 -5.009 2.146 1.00 0.00 O ATOM 1126 CB LYS A 75 5.926 -6.852 2.748 1.00 0.00 C ATOM 1127 CG LYS A 75 6.854 -7.943 2.243 1.00 0.00 C ATOM 1128 CD LYS A 75 8.310 -7.513 2.316 1.00 0.00 C ATOM 1129 CE LYS A 75 9.189 -8.367 1.414 1.00 0.00 C ATOM 1130 NZ LYS A 75 9.715 -9.565 2.124 1.00 0.00 N ATOM 0 H LYS A 75 5.597 -6.223 0.383 1.00 0.00 H new ATOM 0 HA LYS A 75 4.117 -7.859 2.166 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.394 -5.882 2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.800 -6.964 3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.710 -8.847 2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.598 -8.192 1.213 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.396 -6.466 2.025 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.662 -7.588 3.345 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.616 -8.684 0.543 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.022 -7.768 1.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.309 -10.120 1.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.284 -9.263 2.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.921 -10.150 2.453 1.00 0.00 H new ATOM 1144 N GLN A 76 3.515 -6.008 4.103 1.00 0.00 N ATOM 1145 CA GLN A 76 2.664 -5.125 4.892 1.00 0.00 C ATOM 1146 C GLN A 76 3.333 -3.771 5.106 1.00 0.00 C ATOM 1147 O GLN A 76 2.662 -2.745 5.204 1.00 0.00 O ATOM 1148 CB GLN A 76 2.340 -5.766 6.242 1.00 0.00 C ATOM 1149 CG GLN A 76 3.564 -6.004 7.112 1.00 0.00 C ATOM 1150 CD GLN A 76 4.251 -7.320 6.806 1.00 0.00 C ATOM 1151 OE1 GLN A 76 5.353 -7.346 6.257 1.00 0.00 O ATOM 1152 NE2 GLN A 76 3.603 -8.423 7.162 1.00 0.00 N ATOM 0 H GLN A 76 4.005 -6.719 4.646 1.00 0.00 H new ATOM 0 HA GLN A 76 1.737 -4.968 4.341 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.641 -5.126 6.780 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.835 -6.717 6.072 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.271 -5.187 6.968 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.268 -5.988 8.161 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.691 -8.355 7.615 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.017 -9.338 6.983 1.00 0.00 H new ATOM 1161 N GLU A 77 4.661 -3.778 5.179 1.00 0.00 N ATOM 1162 CA GLU A 77 5.420 -2.550 5.382 1.00 0.00 C ATOM 1163 C GLU A 77 5.082 -1.517 4.312 1.00 0.00 C ATOM 1164 O GLU A 77 4.802 -0.358 4.619 1.00 0.00 O ATOM 1165 CB GLU A 77 6.922 -2.845 5.367 1.00 0.00 C ATOM 1166 CG GLU A 77 7.764 -1.745 5.992 1.00 0.00 C ATOM 1167 CD GLU A 77 7.895 -1.895 7.495 1.00 0.00 C ATOM 1168 OE1 GLU A 77 8.506 -2.888 7.943 1.00 0.00 O ATOM 1169 OE2 GLU A 77 7.387 -1.017 8.224 1.00 0.00 O ATOM 0 H GLU A 77 5.232 -4.619 5.101 1.00 0.00 H new ATOM 0 HA GLU A 77 5.147 -2.141 6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.106 -3.778 5.899 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.244 -2.997 4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.757 -1.752 5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.318 -0.777 5.765 1.00 0.00 H new ATOM 1176 N TRP A 78 5.111 -1.945 3.055 1.00 0.00 N ATOM 1177 CA TRP A 78 4.809 -1.058 1.938 1.00 0.00 C ATOM 1178 C TRP A 78 3.637 -0.142 2.273 1.00 0.00 C ATOM 1179 O TRP A 78 3.757 1.082 2.218 1.00 0.00 O ATOM 1180 CB TRP A 78 4.492 -1.873 0.683 1.00 0.00 C ATOM 1181 CG TRP A 78 4.271 -1.027 -0.534 1.00 0.00 C ATOM 1182 CD1 TRP A 78 5.190 -0.719 -1.496 1.00 0.00 C ATOM 1183 CD2 TRP A 78 3.053 -0.381 -0.919 1.00 0.00 C ATOM 1184 NE1 TRP A 78 4.616 0.081 -2.455 1.00 0.00 N ATOM 1185 CE2 TRP A 78 3.306 0.302 -2.125 1.00 0.00 C ATOM 1186 CE3 TRP A 78 1.772 -0.313 -0.363 1.00 0.00 C ATOM 1187 CZ2 TRP A 78 2.325 1.042 -2.781 1.00 0.00 C ATOM 1188 CZ3 TRP A 78 0.801 0.422 -1.015 1.00 0.00 C ATOM 1189 CH2 TRP A 78 1.081 1.090 -2.214 1.00 0.00 C ATOM 0 H TRP A 78 5.341 -2.901 2.784 1.00 0.00 H new ATOM 0 HA TRP A 78 5.687 -0.441 1.749 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.312 -2.565 0.491 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.602 -2.475 0.865 1.00 0.00 H new ATOM 0 HD1 TRP A 78 6.217 -1.055 -1.502 1.00 0.00 H new ATOM 0 HE1 TRP A 78 5.090 0.450 -3.279 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.546 -0.826 0.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 2.539 1.559 -3.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.191 0.483 -0.593 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.299 1.654 -2.701 1.00 0.00 H new ATOM 1200 N PHE A 79 2.503 -0.741 2.621 1.00 0.00 N ATOM 1201 CA PHE A 79 1.309 0.021 2.964 1.00 0.00 C ATOM 1202 C PHE A 79 1.605 1.025 4.074 1.00 0.00 C ATOM 1203 O PHE A 79 1.277 2.207 3.961 1.00 0.00 O ATOM 1204 CB PHE A 79 0.184 -0.920 3.399 1.00 0.00 C ATOM 1205 CG PHE A 79 -0.991 -0.210 4.008 1.00 0.00 C ATOM 1206 CD1 PHE A 79 -1.899 0.467 3.210 1.00 0.00 C ATOM 1207 CD2 PHE A 79 -1.188 -0.219 5.380 1.00 0.00 C ATOM 1208 CE1 PHE A 79 -2.980 1.122 3.768 1.00 0.00 C ATOM 1209 CE2 PHE A 79 -2.267 0.434 5.944 1.00 0.00 C ATOM 1210 CZ PHE A 79 -3.165 1.105 5.137 1.00 0.00 C ATOM 0 H PHE A 79 2.386 -1.753 2.673 1.00 0.00 H new ATOM 0 HA PHE A 79 0.992 0.569 2.077 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.155 -1.491 2.535 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.579 -1.636 4.120 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.760 0.483 2.139 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.490 -0.743 6.016 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.680 1.647 3.135 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.408 0.420 7.015 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.010 1.615 5.575 1.00 0.00 H new ATOM 1220 N TRP A 80 2.225 0.546 5.146 1.00 0.00 N ATOM 1221 CA TRP A 80 2.565 1.401 6.278 1.00 0.00 C ATOM 1222 C TRP A 80 3.416 2.584 5.830 1.00 0.00 C ATOM 1223 O TRP A 80 3.016 3.739 5.976 1.00 0.00 O ATOM 1224 CB TRP A 80 3.310 0.597 7.345 1.00 0.00 C ATOM 1225 CG TRP A 80 2.457 -0.442 8.009 1.00 0.00 C ATOM 1226 CD1 TRP A 80 2.712 -1.781 8.091 1.00 0.00 C ATOM 1227 CD2 TRP A 80 1.212 -0.226 8.682 1.00 0.00 C ATOM 1228 NE1 TRP A 80 1.699 -2.411 8.775 1.00 0.00 N ATOM 1229 CE2 TRP A 80 0.768 -1.478 9.148 1.00 0.00 C ATOM 1230 CE3 TRP A 80 0.430 0.904 8.937 1.00 0.00 C ATOM 1231 CZ2 TRP A 80 -0.423 -1.630 9.853 1.00 0.00 C ATOM 1232 CZ3 TRP A 80 -0.752 0.751 9.636 1.00 0.00 C ATOM 1233 CH2 TRP A 80 -1.169 -0.507 10.089 1.00 0.00 C ATOM 0 H TRP A 80 2.503 -0.429 5.256 1.00 0.00 H new ATOM 0 HA TRP A 80 1.637 1.784 6.703 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.172 0.111 6.888 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.694 1.280 8.103 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.581 -2.273 7.679 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.649 -3.410 8.972 1.00 0.00 H new ATOM 0 HE3 TRP A 80 0.744 1.879 8.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.747 -2.600 10.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.365 1.617 9.837 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.097 -0.593 10.635 1.00 0.00 H new ATOM 1244 N GLY A 81 4.592 2.290 5.284 1.00 0.00 N ATOM 1245 CA GLY A 81 5.480 3.341 4.823 1.00 0.00 C ATOM 1246 C GLY A 81 4.757 4.394 4.007 1.00 0.00 C ATOM 1247 O GLY A 81 4.603 5.533 4.447 1.00 0.00 O ATOM 0 H GLY A 81 4.946 1.342 5.153 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.955 3.814 5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.276 2.902 4.221 1.00 0.00 H new ATOM 1251 N SER A 82 4.315 4.014 2.812 1.00 0.00 N ATOM 1252 CA SER A 82 3.610 4.935 1.929 1.00 0.00 C ATOM 1253 C SER A 82 2.730 5.889 2.731 1.00 0.00 C ATOM 1254 O SER A 82 2.571 7.056 2.370 1.00 0.00 O ATOM 1255 CB SER A 82 2.757 4.159 0.924 1.00 0.00 C ATOM 1256 OG SER A 82 3.562 3.576 -0.086 1.00 0.00 O ATOM 0 H SER A 82 4.433 3.074 2.433 1.00 0.00 H new ATOM 0 HA SER A 82 4.353 5.521 1.388 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.198 3.380 1.442 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.026 4.828 0.470 1.00 0.00 H new ATOM 0 HG SER A 82 4.489 3.876 0.021 1.00 0.00 H new ATOM 1262 N ILE A 83 2.160 5.384 3.820 1.00 0.00 N ATOM 1263 CA ILE A 83 1.297 6.191 4.674 1.00 0.00 C ATOM 1264 C ILE A 83 2.117 7.113 5.570 1.00 0.00 C ATOM 1265 O ILE A 83 1.861 8.315 5.640 1.00 0.00 O ATOM 1266 CB ILE A 83 0.392 5.308 5.554 1.00 0.00 C ATOM 1267 CG1 ILE A 83 -0.490 4.414 4.681 1.00 0.00 C ATOM 1268 CG2 ILE A 83 -0.462 6.173 6.470 1.00 0.00 C ATOM 1269 CD1 ILE A 83 -0.997 3.182 5.398 1.00 0.00 C ATOM 0 H ILE A 83 2.280 4.420 4.132 1.00 0.00 H new ATOM 0 HA ILE A 83 0.672 6.793 4.014 1.00 0.00 H new ATOM 0 HB ILE A 83 1.023 4.670 6.173 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.342 4.994 4.325 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.076 4.106 3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.096 5.535 7.086 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.184 6.771 7.113 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.087 6.833 5.869 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.615 2.595 4.719 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.151 2.581 5.730 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.591 3.482 6.262 1.00 0.00 H new ATOM 1281 N GLN A 84 3.103 6.541 6.253 1.00 0.00 N ATOM 1282 CA GLN A 84 3.962 7.313 7.144 1.00 0.00 C ATOM 1283 C GLN A 84 4.611 8.477 6.402 1.00 0.00 C ATOM 1284 O GLN A 84 4.698 9.587 6.925 1.00 0.00 O ATOM 1285 CB GLN A 84 5.041 6.414 7.751 1.00 0.00 C ATOM 1286 CG GLN A 84 5.561 6.909 9.091 1.00 0.00 C ATOM 1287 CD GLN A 84 4.565 6.704 10.216 1.00 0.00 C ATOM 1288 OE1 GLN A 84 3.754 5.778 10.181 1.00 0.00 O ATOM 1289 NE2 GLN A 84 4.622 7.568 11.222 1.00 0.00 N ATOM 0 H GLN A 84 3.327 5.547 6.207 1.00 0.00 H new ATOM 0 HA GLN A 84 3.343 7.717 7.945 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.637 5.409 7.876 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.874 6.338 7.053 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.488 6.388 9.332 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.803 7.969 9.013 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.310 8.321 11.210 1.00 0.00 H new ATOM 0 HE22 GLN A 84 3.977 7.479 12.007 1.00 0.00 H new ATOM 1298 N MET A 85 5.065 8.214 5.181 1.00 0.00 N ATOM 1299 CA MET A 85 5.706 9.241 4.368 1.00 0.00 C ATOM 1300 C MET A 85 4.708 9.867 3.398 1.00 0.00 C ATOM 1301 O MET A 85 5.018 10.848 2.722 1.00 0.00 O ATOM 1302 CB MET A 85 6.884 8.646 3.593 1.00 0.00 C ATOM 1303 CG MET A 85 6.487 7.519 2.654 1.00 0.00 C ATOM 1304 SD MET A 85 7.866 6.930 1.654 1.00 0.00 S ATOM 1305 CE MET A 85 7.332 5.259 1.292 1.00 0.00 C ATOM 0 H MET A 85 5.001 7.300 4.733 1.00 0.00 H new ATOM 0 HA MET A 85 6.075 10.020 5.035 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.365 9.436 3.016 1.00 0.00 H new ATOM 0 HB3 MET A 85 7.624 8.274 4.302 1.00 0.00 H new ATOM 0 HG2 MET A 85 6.086 6.690 3.237 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.688 7.863 1.997 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.187 4.666 0.967 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.901 4.813 2.188 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.583 5.280 0.501 1.00 0.00 H new ATOM 1315 N ASP A 86 3.512 9.293 3.335 1.00 0.00 N ATOM 1316 CA ASP A 86 2.469 9.796 2.449 1.00 0.00 C ATOM 1317 C ASP A 86 2.967 9.867 1.009 1.00 0.00 C ATOM 1318 O ASP A 86 2.660 10.811 0.281 1.00 0.00 O ATOM 1319 CB ASP A 86 2.001 11.177 2.908 1.00 0.00 C ATOM 1320 CG ASP A 86 1.340 11.141 4.272 1.00 0.00 C ATOM 1321 OD1 ASP A 86 0.109 10.933 4.330 1.00 0.00 O ATOM 1322 OD2 ASP A 86 2.052 11.319 5.282 1.00 0.00 O ATOM 0 H ASP A 86 3.241 8.479 3.887 1.00 0.00 H new ATOM 0 HA ASP A 86 1.628 9.104 2.490 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.854 11.855 2.939 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.299 11.581 2.178 1.00 0.00 H new ATOM 1327 N ALA A 87 3.738 8.863 0.605 1.00 0.00 N ATOM 1328 CA ALA A 87 4.279 8.811 -0.748 1.00 0.00 C ATOM 1329 C ALA A 87 4.407 7.371 -1.233 1.00 0.00 C ATOM 1330 O ALA A 87 4.984 6.525 -0.550 1.00 0.00 O ATOM 1331 CB ALA A 87 5.628 9.512 -0.805 1.00 0.00 C ATOM 0 H ALA A 87 4.002 8.074 1.195 1.00 0.00 H new ATOM 0 HA ALA A 87 3.585 9.329 -1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.020 9.465 -1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.509 10.554 -0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.323 9.019 -0.125 1.00 0.00 H new ATOM 1337 N ARG A 88 3.866 7.099 -2.416 1.00 0.00 N ATOM 1338 CA ARG A 88 3.919 5.761 -2.991 1.00 0.00 C ATOM 1339 C ARG A 88 5.355 5.248 -3.043 1.00 0.00 C ATOM 1340 O ARG A 88 6.227 5.873 -3.645 1.00 0.00 O ATOM 1341 CB ARG A 88 3.316 5.762 -4.397 1.00 0.00 C ATOM 1342 CG ARG A 88 3.165 4.374 -4.997 1.00 0.00 C ATOM 1343 CD ARG A 88 4.433 3.936 -5.713 1.00 0.00 C ATOM 1344 NE ARG A 88 4.324 2.577 -6.238 1.00 0.00 N ATOM 1345 CZ ARG A 88 3.809 2.288 -7.427 1.00 0.00 C ATOM 1346 NH1 ARG A 88 3.358 3.257 -8.212 1.00 0.00 N ATOM 1347 NH2 ARG A 88 3.744 1.026 -7.834 1.00 0.00 N ATOM 0 H ARG A 88 3.386 7.788 -2.995 1.00 0.00 H new ATOM 0 HA ARG A 88 3.336 5.096 -2.354 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.338 6.242 -4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.945 6.365 -5.052 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.926 3.660 -4.209 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.330 4.368 -5.697 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.644 4.625 -6.531 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.276 3.992 -5.024 1.00 0.00 H new ATOM 0 HE ARG A 88 4.662 1.808 -5.659 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.406 4.228 -7.903 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.963 3.031 -9.125 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.090 0.278 -7.233 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.348 0.805 -8.748 1.00 0.00 H new ATOM 1361 N ALA A 89 5.593 4.105 -2.406 1.00 0.00 N ATOM 1362 CA ALA A 89 6.922 3.508 -2.380 1.00 0.00 C ATOM 1363 C ALA A 89 7.058 2.426 -3.446 1.00 0.00 C ATOM 1364 O ALA A 89 6.070 1.819 -3.859 1.00 0.00 O ATOM 1365 CB ALA A 89 7.216 2.933 -1.002 1.00 0.00 C ATOM 0 H ALA A 89 4.882 3.575 -1.902 1.00 0.00 H new ATOM 0 HA ALA A 89 7.649 4.290 -2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.212 2.490 -0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.169 3.728 -0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.478 2.168 -0.762 1.00 0.00 H new ATOM 1371 N GLY A 90 8.289 2.190 -3.890 1.00 0.00 N ATOM 1372 CA GLY A 90 8.531 1.181 -4.905 1.00 0.00 C ATOM 1373 C GLY A 90 8.097 -0.202 -4.463 1.00 0.00 C ATOM 1374 O GLY A 90 8.235 -0.558 -3.293 1.00 0.00 O ATOM 0 H GLY A 90 9.123 2.679 -3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.998 1.452 -5.816 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.593 1.164 -5.150 1.00 0.00 H new ATOM 1378 N GLU A 91 7.571 -0.984 -5.401 1.00 0.00 N ATOM 1379 CA GLU A 91 7.113 -2.335 -5.100 1.00 0.00 C ATOM 1380 C GLU A 91 8.292 -3.301 -5.009 1.00 0.00 C ATOM 1381 O GLU A 91 8.350 -4.147 -4.116 1.00 0.00 O ATOM 1382 CB GLU A 91 6.129 -2.814 -6.168 1.00 0.00 C ATOM 1383 CG GLU A 91 4.955 -1.873 -6.380 1.00 0.00 C ATOM 1384 CD GLU A 91 3.894 -2.011 -5.306 1.00 0.00 C ATOM 1385 OE1 GLU A 91 3.154 -3.015 -5.328 1.00 0.00 O ATOM 1386 OE2 GLU A 91 3.806 -1.113 -4.442 1.00 0.00 O ATOM 0 H GLU A 91 7.452 -0.705 -6.375 1.00 0.00 H new ATOM 0 HA GLU A 91 6.607 -2.313 -4.135 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.661 -2.936 -7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.750 -3.796 -5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.317 -0.845 -6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.508 -2.070 -7.354 1.00 0.00 H new ATOM 1393 N THR A 92 9.231 -3.169 -5.941 1.00 0.00 N ATOM 1394 CA THR A 92 10.407 -4.029 -5.969 1.00 0.00 C ATOM 1395 C THR A 92 11.124 -4.023 -4.623 1.00 0.00 C ATOM 1396 O THR A 92 11.961 -4.884 -4.352 1.00 0.00 O ATOM 1397 CB THR A 92 11.396 -3.594 -7.066 1.00 0.00 C ATOM 1398 OG1 THR A 92 10.679 -3.148 -8.223 1.00 0.00 O ATOM 1399 CG2 THR A 92 12.320 -4.740 -7.448 1.00 0.00 C ATOM 0 H THR A 92 9.199 -2.474 -6.687 1.00 0.00 H new ATOM 0 HA THR A 92 10.056 -5.038 -6.187 1.00 0.00 H new ATOM 0 HB THR A 92 12.001 -2.776 -6.675 1.00 0.00 H new ATOM 0 HG1 THR A 92 11.315 -2.871 -8.915 1.00 0.00 H new ATOM 0 HG21 THR A 92 13.009 -4.408 -8.224 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.886 -5.059 -6.572 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.728 -5.576 -7.821 1.00 0.00 H new ATOM 1407 N MET A 93 10.790 -3.049 -3.784 1.00 0.00 N ATOM 1408 CA MET A 93 11.401 -2.933 -2.465 1.00 0.00 C ATOM 1409 C MET A 93 10.670 -3.804 -1.449 1.00 0.00 C ATOM 1410 O MET A 93 11.256 -4.247 -0.461 1.00 0.00 O ATOM 1411 CB MET A 93 11.395 -1.475 -2.003 1.00 0.00 C ATOM 1412 CG MET A 93 12.409 -0.604 -2.726 1.00 0.00 C ATOM 1413 SD MET A 93 12.624 1.007 -1.945 1.00 0.00 S ATOM 1414 CE MET A 93 12.178 2.099 -3.292 1.00 0.00 C ATOM 0 H MET A 93 10.099 -2.328 -3.994 1.00 0.00 H new ATOM 0 HA MET A 93 12.432 -3.279 -2.538 1.00 0.00 H new ATOM 0 HB2 MET A 93 10.399 -1.059 -2.153 1.00 0.00 H new ATOM 0 HB3 MET A 93 11.597 -1.441 -0.932 1.00 0.00 H new ATOM 0 HG2 MET A 93 13.369 -1.120 -2.756 1.00 0.00 H new ATOM 0 HG3 MET A 93 12.090 -0.463 -3.759 1.00 0.00 H new ATOM 0 HE1 MET A 93 12.279 3.135 -2.969 1.00 0.00 H new ATOM 0 HE2 MET A 93 12.837 1.918 -4.141 1.00 0.00 H new ATOM 0 HE3 MET A 93 11.146 1.910 -3.587 1.00 0.00 H new ATOM 1424 N TYR A 94 9.388 -4.046 -1.697 1.00 0.00 N ATOM 1425 CA TYR A 94 8.576 -4.862 -0.802 1.00 0.00 C ATOM 1426 C TYR A 94 7.876 -5.980 -1.568 1.00 0.00 C ATOM 1427 O TYR A 94 6.880 -6.538 -1.104 1.00 0.00 O ATOM 1428 CB TYR A 94 7.541 -3.994 -0.084 1.00 0.00 C ATOM 1429 CG TYR A 94 8.099 -2.686 0.430 1.00 0.00 C ATOM 1430 CD1 TYR A 94 8.485 -1.680 -0.448 1.00 0.00 C ATOM 1431 CD2 TYR A 94 8.243 -2.456 1.792 1.00 0.00 C ATOM 1432 CE1 TYR A 94 8.996 -0.484 0.017 1.00 0.00 C ATOM 1433 CE2 TYR A 94 8.751 -1.263 2.266 1.00 0.00 C ATOM 1434 CZ TYR A 94 9.127 -0.280 1.375 1.00 0.00 C ATOM 1435 OH TYR A 94 9.636 0.910 1.843 1.00 0.00 O ATOM 0 H TYR A 94 8.888 -3.688 -2.511 1.00 0.00 H new ATOM 0 HA TYR A 94 9.238 -5.313 -0.062 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.718 -3.785 -0.767 1.00 0.00 H new ATOM 0 HB3 TYR A 94 7.126 -4.556 0.753 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.384 -1.836 -1.512 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.952 -3.224 2.493 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.291 0.287 -0.679 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.853 -1.101 3.329 1.00 0.00 H new ATOM 0 HH TYR A 94 9.661 0.892 2.823 1.00 0.00 H new ATOM 1445 N LEU A 95 8.403 -6.302 -2.744 1.00 0.00 N ATOM 1446 CA LEU A 95 7.830 -7.354 -3.577 1.00 0.00 C ATOM 1447 C LEU A 95 7.859 -8.697 -2.854 1.00 0.00 C ATOM 1448 O LEU A 95 8.920 -9.300 -2.685 1.00 0.00 O ATOM 1449 CB LEU A 95 8.592 -7.457 -4.899 1.00 0.00 C ATOM 1450 CG LEU A 95 8.062 -6.598 -6.048 1.00 0.00 C ATOM 1451 CD1 LEU A 95 8.844 -6.871 -7.323 1.00 0.00 C ATOM 1452 CD2 LEU A 95 6.578 -6.856 -6.265 1.00 0.00 C ATOM 0 H LEU A 95 9.226 -5.850 -3.142 1.00 0.00 H new ATOM 0 HA LEU A 95 6.791 -7.095 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.632 -7.185 -4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.586 -8.499 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 95 8.194 -5.549 -5.783 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.453 -6.251 -8.130 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.896 -6.636 -7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.745 -7.922 -7.593 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.217 -6.237 -7.086 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.423 -7.907 -6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.029 -6.609 -5.356 1.00 0.00 H new ATOM 1464 N TYR A 96 6.688 -9.161 -2.432 1.00 0.00 N ATOM 1465 CA TYR A 96 6.580 -10.433 -1.727 1.00 0.00 C ATOM 1466 C TYR A 96 7.070 -11.583 -2.601 1.00 0.00 C ATOM 1467 O TYR A 96 6.403 -11.980 -3.556 1.00 0.00 O ATOM 1468 CB TYR A 96 5.131 -10.682 -1.302 1.00 0.00 C ATOM 1469 CG TYR A 96 4.931 -11.991 -0.572 1.00 0.00 C ATOM 1470 CD1 TYR A 96 5.812 -12.394 0.425 1.00 0.00 C ATOM 1471 CD2 TYR A 96 3.863 -12.825 -0.879 1.00 0.00 C ATOM 1472 CE1 TYR A 96 5.633 -13.590 1.094 1.00 0.00 C ATOM 1473 CE2 TYR A 96 3.676 -14.021 -0.214 1.00 0.00 C ATOM 1474 CZ TYR A 96 4.564 -14.399 0.772 1.00 0.00 C ATOM 1475 OH TYR A 96 4.382 -15.590 1.436 1.00 0.00 O ATOM 0 H TYR A 96 5.801 -8.676 -2.566 1.00 0.00 H new ATOM 0 HA TYR A 96 7.209 -10.382 -0.838 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.804 -9.864 -0.660 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.494 -10.668 -2.186 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.650 -11.762 0.681 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.167 -12.533 -1.651 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.327 -13.889 1.865 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.840 -14.657 -0.464 1.00 0.00 H new ATOM 0 HH TYR A 96 5.232 -16.076 1.476 1.00 0.00 H new ATOM 1485 N GLU A 97 8.241 -12.115 -2.265 1.00 0.00 N ATOM 1486 CA GLU A 97 8.822 -13.220 -3.019 1.00 0.00 C ATOM 1487 C GLU A 97 9.043 -14.434 -2.121 1.00 0.00 C ATOM 1488 O GLU A 97 9.574 -15.456 -2.558 1.00 0.00 O ATOM 1489 CB GLU A 97 10.147 -12.793 -3.653 1.00 0.00 C ATOM 1490 CG GLU A 97 9.997 -11.709 -4.706 1.00 0.00 C ATOM 1491 CD GLU A 97 9.462 -12.243 -6.021 1.00 0.00 C ATOM 1492 OE1 GLU A 97 8.407 -12.910 -6.006 1.00 0.00 O ATOM 1493 OE2 GLU A 97 10.101 -11.993 -7.065 1.00 0.00 O ATOM 0 H GLU A 97 8.806 -11.799 -1.476 1.00 0.00 H new ATOM 0 HA GLU A 97 8.122 -13.496 -3.808 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.816 -12.437 -2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 97 10.621 -13.664 -4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.326 -10.935 -4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.965 -11.237 -4.877 1.00 0.00 H new ATOM 1500 N LYS A 98 8.632 -14.315 -0.863 1.00 0.00 N ATOM 1501 CA LYS A 98 8.784 -15.401 0.098 1.00 0.00 C ATOM 1502 C LYS A 98 7.514 -16.243 0.172 1.00 0.00 C ATOM 1503 O LYS A 98 6.983 -16.487 1.255 1.00 0.00 O ATOM 1504 CB LYS A 98 9.119 -14.842 1.482 1.00 0.00 C ATOM 1505 CG LYS A 98 10.490 -14.192 1.560 1.00 0.00 C ATOM 1506 CD LYS A 98 11.569 -15.206 1.903 1.00 0.00 C ATOM 1507 CE LYS A 98 12.918 -14.536 2.113 1.00 0.00 C ATOM 1508 NZ LYS A 98 13.507 -14.060 0.831 1.00 0.00 N ATOM 0 H LYS A 98 8.191 -13.477 -0.485 1.00 0.00 H new ATOM 0 HA LYS A 98 9.603 -16.038 -0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.362 -14.109 1.761 1.00 0.00 H new ATOM 0 HB3 LYS A 98 9.067 -15.649 2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.724 -13.719 0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 98 10.478 -13.404 2.313 1.00 0.00 H new ATOM 0 HD2 LYS A 98 11.287 -15.748 2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 98 11.647 -15.940 1.101 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.803 -13.693 2.795 1.00 0.00 H new ATOM 0 HE3 LYS A 98 13.602 -15.239 2.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 14.426 -13.609 1.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 13.641 -14.868 0.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.866 -13.370 0.390 1.00 0.00 H new ATOM 1522 N ALA A 99 7.033 -16.684 -0.985 1.00 0.00 N ATOM 1523 CA ALA A 99 5.827 -17.501 -1.050 1.00 0.00 C ATOM 1524 C ALA A 99 6.055 -18.748 -1.897 1.00 0.00 C ATOM 1525 O ALA A 99 5.709 -18.781 -3.077 1.00 0.00 O ATOM 1526 CB ALA A 99 4.668 -16.687 -1.606 1.00 0.00 C ATOM 0 H ALA A 99 7.460 -16.489 -1.891 1.00 0.00 H new ATOM 0 HA ALA A 99 5.579 -17.821 -0.038 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.774 -17.309 -1.649 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.482 -15.829 -0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.916 -16.338 -2.609 1.00 0.00 H new ATOM 1532 N ASN A 100 6.640 -19.774 -1.286 1.00 0.00 N ATOM 1533 CA ASN A 100 6.915 -21.024 -1.985 1.00 0.00 C ATOM 1534 C ASN A 100 6.660 -22.223 -1.076 1.00 0.00 C ATOM 1535 O ASN A 100 6.757 -22.121 0.147 1.00 0.00 O ATOM 1536 CB ASN A 100 8.361 -21.046 -2.484 1.00 0.00 C ATOM 1537 CG ASN A 100 8.822 -19.689 -2.980 1.00 0.00 C ATOM 1538 OD1 ASN A 100 8.419 -19.238 -4.053 1.00 0.00 O ATOM 1539 ND2 ASN A 100 9.672 -19.032 -2.200 1.00 0.00 N ATOM 0 H ASN A 100 6.932 -19.764 -0.309 1.00 0.00 H new ATOM 0 HA ASN A 100 6.242 -21.089 -2.840 1.00 0.00 H new ATOM 0 HB2 ASN A 100 9.016 -21.377 -1.678 1.00 0.00 H new ATOM 0 HB3 ASN A 100 8.454 -21.775 -3.289 1.00 0.00 H new ATOM 0 HD21 ASN A 100 10.018 -18.115 -2.482 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.979 -19.444 -1.319 1.00 0.00 H new ATOM 1546 N THR A 101 6.334 -23.360 -1.683 1.00 0.00 N ATOM 1547 CA THR A 101 6.065 -24.578 -0.930 1.00 0.00 C ATOM 1548 C THR A 101 7.151 -25.622 -1.166 1.00 0.00 C ATOM 1549 O THR A 101 7.754 -25.694 -2.238 1.00 0.00 O ATOM 1550 CB THR A 101 4.699 -25.181 -1.306 1.00 0.00 C ATOM 1551 OG1 THR A 101 4.723 -26.601 -1.126 1.00 0.00 O ATOM 1552 CG2 THR A 101 4.342 -24.854 -2.748 1.00 0.00 C ATOM 0 H THR A 101 6.250 -23.462 -2.694 1.00 0.00 H new ATOM 0 HA THR A 101 6.054 -24.301 0.124 1.00 0.00 H new ATOM 0 HB THR A 101 3.943 -24.746 -0.653 1.00 0.00 H new ATOM 0 HG1 THR A 101 3.850 -26.976 -1.366 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.373 -25.290 -2.991 1.00 0.00 H new ATOM 0 HG22 THR A 101 4.295 -23.772 -2.875 1.00 0.00 H new ATOM 0 HG23 THR A 101 5.102 -25.265 -3.413 1.00 0.00 H new ATOM 1560 N PRO A 102 7.408 -26.452 -0.145 1.00 0.00 N ATOM 1561 CA PRO A 102 8.421 -27.508 -0.218 1.00 0.00 C ATOM 1562 C PRO A 102 8.016 -28.636 -1.161 1.00 0.00 C ATOM 1563 O PRO A 102 6.846 -29.012 -1.225 1.00 0.00 O ATOM 1564 CB PRO A 102 8.506 -28.019 1.222 1.00 0.00 C ATOM 1565 CG PRO A 102 7.178 -27.700 1.817 1.00 0.00 C ATOM 1566 CD PRO A 102 6.728 -26.423 1.161 1.00 0.00 C ATOM 0 HA PRO A 102 9.368 -27.137 -0.609 1.00 0.00 H new ATOM 0 HB2 PRO A 102 8.705 -29.090 1.251 1.00 0.00 H new ATOM 0 HB3 PRO A 102 9.312 -27.530 1.769 1.00 0.00 H new ATOM 0 HG2 PRO A 102 6.465 -28.505 1.635 1.00 0.00 H new ATOM 0 HG3 PRO A 102 7.253 -27.579 2.898 1.00 0.00 H new ATOM 0 HD2 PRO A 102 5.644 -26.389 1.049 1.00 0.00 H new ATOM 0 HD3 PRO A 102 7.016 -25.548 1.745 1.00 0.00 H new ATOM 1574 N GLU A 103 8.990 -29.172 -1.889 1.00 0.00 N ATOM 1575 CA GLU A 103 8.732 -30.258 -2.828 1.00 0.00 C ATOM 1576 C GLU A 103 8.186 -31.485 -2.104 1.00 0.00 C ATOM 1577 O GLU A 103 8.893 -32.127 -1.327 1.00 0.00 O ATOM 1578 CB GLU A 103 10.013 -30.624 -3.582 1.00 0.00 C ATOM 1579 CG GLU A 103 10.282 -29.742 -4.789 1.00 0.00 C ATOM 1580 CD GLU A 103 11.090 -28.507 -4.441 1.00 0.00 C ATOM 1581 OE1 GLU A 103 10.692 -27.784 -3.504 1.00 0.00 O ATOM 1582 OE2 GLU A 103 12.119 -28.264 -5.105 1.00 0.00 O ATOM 0 H GLU A 103 9.964 -28.873 -1.847 1.00 0.00 H new ATOM 0 HA GLU A 103 7.983 -29.917 -3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.859 -30.557 -2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.948 -31.662 -3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.815 -30.319 -5.544 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.333 -29.438 -5.231 1.00 0.00 H new ATOM 1589 N SER A 104 6.922 -31.805 -2.366 1.00 0.00 N ATOM 1590 CA SER A 104 6.278 -32.952 -1.737 1.00 0.00 C ATOM 1591 C SER A 104 6.610 -34.239 -2.486 1.00 0.00 C ATOM 1592 O SER A 104 5.899 -34.633 -3.410 1.00 0.00 O ATOM 1593 CB SER A 104 4.763 -32.751 -1.691 1.00 0.00 C ATOM 1594 OG SER A 104 4.374 -32.067 -0.512 1.00 0.00 O ATOM 0 H SER A 104 6.324 -31.286 -3.009 1.00 0.00 H new ATOM 0 HA SER A 104 6.657 -33.037 -0.718 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.441 -32.186 -2.566 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.263 -33.719 -1.735 1.00 0.00 H new ATOM 0 HG SER A 104 3.401 -31.950 -0.508 1.00 0.00 H new ATOM 1600 N GLY A 105 7.696 -34.890 -2.080 1.00 0.00 N ATOM 1601 CA GLY A 105 8.104 -36.126 -2.722 1.00 0.00 C ATOM 1602 C GLY A 105 9.595 -36.373 -2.609 1.00 0.00 C ATOM 1603 O GLY A 105 10.329 -35.600 -1.994 1.00 0.00 O ATOM 0 H GLY A 105 8.301 -34.583 -1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.566 -36.960 -2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.823 -36.095 -3.775 1.00 0.00 H new ATOM 1607 N PRO A 106 10.063 -37.475 -3.214 1.00 0.00 N ATOM 1608 CA PRO A 106 11.480 -37.849 -3.191 1.00 0.00 C ATOM 1609 C PRO A 106 12.341 -36.907 -4.026 1.00 0.00 C ATOM 1610 O PRO A 106 12.301 -36.939 -5.256 1.00 0.00 O ATOM 1611 CB PRO A 106 11.486 -39.255 -3.796 1.00 0.00 C ATOM 1612 CG PRO A 106 10.268 -39.305 -4.651 1.00 0.00 C ATOM 1613 CD PRO A 106 9.245 -38.441 -3.966 1.00 0.00 C ATOM 0 HA PRO A 106 11.898 -37.801 -2.185 1.00 0.00 H new ATOM 0 HB2 PRO A 106 12.388 -39.430 -4.382 1.00 0.00 H new ATOM 0 HB3 PRO A 106 11.457 -40.020 -3.020 1.00 0.00 H new ATOM 0 HG2 PRO A 106 10.480 -38.937 -5.655 1.00 0.00 H new ATOM 0 HG3 PRO A 106 9.907 -40.328 -4.756 1.00 0.00 H new ATOM 0 HD2 PRO A 106 8.594 -37.943 -4.684 1.00 0.00 H new ATOM 0 HD3 PRO A 106 8.604 -39.025 -3.306 1.00 0.00 H new ATOM 1621 N SER A 107 13.120 -36.068 -3.349 1.00 0.00 N ATOM 1622 CA SER A 107 13.988 -35.114 -4.029 1.00 0.00 C ATOM 1623 C SER A 107 15.079 -35.836 -4.814 1.00 0.00 C ATOM 1624 O SER A 107 15.286 -35.571 -5.998 1.00 0.00 O ATOM 1625 CB SER A 107 14.621 -34.157 -3.017 1.00 0.00 C ATOM 1626 OG SER A 107 15.637 -33.375 -3.620 1.00 0.00 O ATOM 0 H SER A 107 13.167 -36.030 -2.331 1.00 0.00 H new ATOM 0 HA SER A 107 13.379 -34.541 -4.729 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.854 -33.504 -2.601 1.00 0.00 H new ATOM 0 HB3 SER A 107 15.040 -34.726 -2.187 1.00 0.00 H new ATOM 0 HG SER A 107 16.024 -32.771 -2.953 1.00 0.00 H new ATOM 1632 N SER A 108 15.774 -36.750 -4.145 1.00 0.00 N ATOM 1633 CA SER A 108 16.847 -37.509 -4.778 1.00 0.00 C ATOM 1634 C SER A 108 16.636 -39.008 -4.590 1.00 0.00 C ATOM 1635 O SER A 108 16.580 -39.503 -3.464 1.00 0.00 O ATOM 1636 CB SER A 108 18.202 -37.097 -4.199 1.00 0.00 C ATOM 1637 OG SER A 108 19.234 -37.251 -5.157 1.00 0.00 O ATOM 0 H SER A 108 15.614 -36.983 -3.165 1.00 0.00 H new ATOM 0 HA SER A 108 16.834 -37.289 -5.845 1.00 0.00 H new ATOM 0 HB2 SER A 108 18.160 -36.059 -3.869 1.00 0.00 H new ATOM 0 HB3 SER A 108 18.424 -37.702 -3.320 1.00 0.00 H new ATOM 0 HG SER A 108 20.089 -36.980 -4.763 1.00 0.00 H new ATOM 1643 N GLY A 109 16.518 -39.727 -5.702 1.00 0.00 N ATOM 1644 CA GLY A 109 16.314 -41.163 -5.639 1.00 0.00 C ATOM 1645 C GLY A 109 15.468 -41.679 -6.786 1.00 0.00 C ATOM 1646 O GLY A 109 14.839 -40.899 -7.501 1.00 0.00 O ATOM 0 H GLY A 109 16.560 -39.341 -6.645 1.00 0.00 H new ATOM 0 HA2 GLY A 109 17.281 -41.665 -5.650 1.00 0.00 H new ATOM 0 HA3 GLY A 109 15.834 -41.418 -4.694 1.00 0.00 H new TER 1650 GLY A 109