USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 757 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 60 SER OG : rot -106:sc= 0.934 USER MOD Set 1.2: A 62 ASN : amide:sc= -0.0669 K(o=0.87,f=-12!) USER MOD Set 2.1: A 14 THR OG1 : rot 49:sc= 1.04 USER MOD Set 2.2: A 40 SER OG : rot 46:sc= 2.17 USER MOD Set 3.1: A 4 THR OG1 : rot 127:sc= -0.944 USER MOD Set 3.2: A 7 GLN : amide:sc= -2.53 K(o=-3.5,f=-7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -28:sc= 0.773! USER MOD Single : A -1 GLY N :NH3+ -124:sc= 0.0918 (180deg=0) USER MOD Single : A 10 GLN :FLIP amide:sc= -2.84! C(o=-3.8!,f=-2.8!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.155 F(o=-1.2,f=-0.16) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 145:sc= -0.0794 (180deg=-1.28) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.037 USER MOD Single : A 25 LYS NZ :NH3+ -154:sc= -0.334 (180deg=-1.29) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 170:sc= -6.2! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -150:sc= -1.15 USER MOD Single : A 46 MET CE :methyl -142:sc= -1.79! (180deg=-6.03!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -83:sc= 1.92 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.188) USER MOD Single : A 67 SER OG : rot -123:sc= 1.08 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -153:sc= -5.38! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0534 X(o=-0.053,f=-0.26) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc=-0.00826 X(o=-0.0083,f=-0.27) USER MOD Single : A 86 THR OG1 : rot 15:sc= 0.76 USER MOD Single : A 87 LYS NZ :NH3+ -156:sc= -0.0361 (180deg=-0.246) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -10.031 -14.013 -10.947 1.00 0.00 N ATOM 2 CA GLY A -1 -9.065 -13.397 -10.053 1.00 0.00 C ATOM 3 C GLY A -1 -9.751 -12.841 -8.804 1.00 0.00 C ATOM 4 O GLY A -1 -10.911 -13.151 -8.539 1.00 0.00 O ATOM 0 H1 GLY A -1 -9.752 -14.997 -11.135 1.00 0.00 H new ATOM 0 H2 GLY A -1 -10.972 -13.998 -10.505 1.00 0.00 H new ATOM 0 H3 GLY A -1 -10.061 -13.485 -11.842 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -8.313 -14.131 -9.763 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -8.543 -12.594 -10.573 1.00 0.00 H new ATOM 8 N PRO A 0 -8.985 -12.008 -8.050 1.00 0.00 N ATOM 9 CA PRO A 0 -9.507 -11.405 -6.835 1.00 0.00 C ATOM 10 C PRO A 0 -10.481 -10.271 -7.160 1.00 0.00 C ATOM 11 O PRO A 0 -11.002 -10.195 -8.272 1.00 0.00 O ATOM 12 CB PRO A 0 -8.280 -10.934 -6.072 1.00 0.00 C ATOM 13 CG PRO A 0 -7.154 -10.869 -7.091 1.00 0.00 C ATOM 14 CD PRO A 0 -7.607 -11.618 -8.334 1.00 0.00 C ATOM 0 HA PRO A 0 -10.089 -12.104 -6.235 1.00 0.00 H new ATOM 0 HB2 PRO A 0 -8.453 -9.958 -5.619 1.00 0.00 H new ATOM 0 HB3 PRO A 0 -8.035 -11.622 -5.263 1.00 0.00 H new ATOM 0 HG2 PRO A 0 -6.918 -9.833 -7.334 1.00 0.00 H new ATOM 0 HG3 PRO A 0 -6.246 -11.316 -6.686 1.00 0.00 H new ATOM 0 HD2 PRO A 0 -7.549 -10.986 -9.220 1.00 0.00 H new ATOM 0 HD3 PRO A 0 -6.980 -12.489 -8.522 1.00 0.00 H new ATOM 22 N MET A 1 -10.698 -9.419 -6.170 1.00 0.00 N ATOM 23 CA MET A 1 -11.601 -8.292 -6.336 1.00 0.00 C ATOM 24 C MET A 1 -10.976 -7.215 -7.225 1.00 0.00 C ATOM 25 O MET A 1 -11.680 -6.532 -7.967 1.00 0.00 O ATOM 26 CB MET A 1 -11.931 -7.696 -4.967 1.00 0.00 C ATOM 27 CG MET A 1 -13.054 -8.480 -4.284 1.00 0.00 C ATOM 28 SD MET A 1 -13.458 -7.727 -2.716 1.00 0.00 S ATOM 29 CE MET A 1 -15.234 -7.633 -2.866 1.00 0.00 C ATOM 0 H MET A 1 -10.264 -9.486 -5.249 1.00 0.00 H new ATOM 0 HA MET A 1 -12.512 -8.649 -6.816 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.041 -7.706 -4.338 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.228 -6.654 -5.082 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.936 -8.501 -4.925 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.746 -9.514 -4.131 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.652 -7.183 -1.965 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.494 -7.022 -3.731 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.642 -8.636 -2.994 1.00 0.00 H new ATOM 39 N GLU A 2 -9.660 -7.097 -7.120 1.00 0.00 N ATOM 40 CA GLU A 2 -8.932 -6.115 -7.905 1.00 0.00 C ATOM 41 C GLU A 2 -9.535 -4.723 -7.704 1.00 0.00 C ATOM 42 O GLU A 2 -10.618 -4.433 -8.210 1.00 0.00 O ATOM 43 CB GLU A 2 -8.918 -6.498 -9.386 1.00 0.00 C ATOM 44 CG GLU A 2 -8.941 -8.018 -9.560 1.00 0.00 C ATOM 45 CD GLU A 2 -8.663 -8.408 -11.013 1.00 0.00 C ATOM 46 OE1 GLU A 2 -8.943 -7.563 -11.891 1.00 0.00 O ATOM 47 OE2 GLU A 2 -8.178 -9.542 -11.213 1.00 0.00 O ATOM 0 H GLU A 2 -9.080 -7.665 -6.503 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.898 -6.096 -7.559 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.780 -6.058 -9.887 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.028 -6.087 -9.863 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.195 -8.473 -8.908 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.912 -8.408 -9.254 1.00 0.00 H new ATOM 54 N PHE A 3 -8.806 -3.899 -6.966 1.00 0.00 N ATOM 55 CA PHE A 3 -9.256 -2.544 -6.692 1.00 0.00 C ATOM 56 C PHE A 3 -8.416 -1.522 -7.461 1.00 0.00 C ATOM 57 O PHE A 3 -7.188 -1.573 -7.431 1.00 0.00 O ATOM 58 CB PHE A 3 -9.075 -2.308 -5.191 1.00 0.00 C ATOM 59 CG PHE A 3 -10.057 -3.089 -4.316 1.00 0.00 C ATOM 60 CD1 PHE A 3 -9.814 -4.394 -4.019 1.00 0.00 C ATOM 61 CD2 PHE A 3 -11.174 -2.479 -3.835 1.00 0.00 C ATOM 62 CE1 PHE A 3 -10.725 -5.119 -3.207 1.00 0.00 C ATOM 63 CE2 PHE A 3 -12.085 -3.205 -3.023 1.00 0.00 C ATOM 64 CZ PHE A 3 -11.841 -4.510 -2.726 1.00 0.00 C ATOM 0 H PHE A 3 -7.907 -4.143 -6.549 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.295 -2.427 -7.000 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -8.058 -2.581 -4.911 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -9.188 -1.244 -4.985 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -8.928 -4.879 -4.401 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -11.368 -1.443 -4.071 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.531 -6.155 -2.971 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.972 -2.721 -2.641 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.534 -5.062 -2.108 1.00 0.00 H new ATOM 74 N THR A 4 -9.113 -0.618 -8.134 1.00 0.00 N ATOM 75 CA THR A 4 -8.447 0.414 -8.910 1.00 0.00 C ATOM 76 C THR A 4 -7.863 1.484 -7.985 1.00 0.00 C ATOM 77 O THR A 4 -8.353 1.685 -6.875 1.00 0.00 O ATOM 78 CB THR A 4 -9.454 0.969 -9.921 1.00 0.00 C ATOM 79 OG1 THR A 4 -10.445 1.598 -9.114 1.00 0.00 O ATOM 80 CG2 THR A 4 -10.216 -0.136 -10.654 1.00 0.00 C ATOM 0 H THR A 4 -10.132 -0.579 -8.158 1.00 0.00 H new ATOM 0 HA THR A 4 -7.599 0.008 -9.462 1.00 0.00 H new ATOM 0 HB THR A 4 -8.933 1.594 -10.647 1.00 0.00 H new ATOM 0 HG1 THR A 4 -10.573 2.522 -9.414 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.917 0.311 -11.359 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.511 -0.767 -11.195 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.764 -0.741 -9.932 1.00 0.00 H new ATOM 88 N ALA A 5 -6.824 2.142 -8.477 1.00 0.00 N ATOM 89 CA ALA A 5 -6.167 3.186 -7.708 1.00 0.00 C ATOM 90 C ALA A 5 -7.208 4.213 -7.258 1.00 0.00 C ATOM 91 O ALA A 5 -7.062 4.829 -6.203 1.00 0.00 O ATOM 92 CB ALA A 5 -5.053 3.814 -8.547 1.00 0.00 C ATOM 0 H ALA A 5 -6.421 1.973 -9.398 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.705 2.770 -6.812 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.560 4.597 -7.970 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.325 3.049 -8.816 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.479 4.244 -9.453 1.00 0.00 H new ATOM 98 N GLU A 6 -8.235 4.366 -8.081 1.00 0.00 N ATOM 99 CA GLU A 6 -9.300 5.308 -7.781 1.00 0.00 C ATOM 100 C GLU A 6 -10.124 4.816 -6.589 1.00 0.00 C ATOM 101 O GLU A 6 -10.404 5.580 -5.666 1.00 0.00 O ATOM 102 CB GLU A 6 -10.189 5.538 -9.004 1.00 0.00 C ATOM 103 CG GLU A 6 -9.982 6.942 -9.577 1.00 0.00 C ATOM 104 CD GLU A 6 -10.051 6.926 -11.106 1.00 0.00 C ATOM 105 OE1 GLU A 6 -9.333 6.092 -11.697 1.00 0.00 O ATOM 106 OE2 GLU A 6 -10.820 7.749 -11.647 1.00 0.00 O ATOM 0 H GLU A 6 -8.352 3.854 -8.955 1.00 0.00 H new ATOM 0 HA GLU A 6 -8.849 6.264 -7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.963 4.793 -9.767 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.235 5.405 -8.728 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.743 7.616 -9.182 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.015 7.330 -9.257 1.00 0.00 H new ATOM 113 N GLN A 7 -10.489 3.544 -6.648 1.00 0.00 N ATOM 114 CA GLN A 7 -11.275 2.941 -5.585 1.00 0.00 C ATOM 115 C GLN A 7 -10.406 2.711 -4.347 1.00 0.00 C ATOM 116 O GLN A 7 -10.849 2.938 -3.222 1.00 0.00 O ATOM 117 CB GLN A 7 -11.920 1.635 -6.053 1.00 0.00 C ATOM 118 CG GLN A 7 -13.231 1.905 -6.794 1.00 0.00 C ATOM 119 CD GLN A 7 -12.964 2.395 -8.219 1.00 0.00 C ATOM 120 OE1 GLN A 7 -12.490 3.496 -8.446 1.00 0.00 O ATOM 121 NE2 GLN A 7 -13.295 1.518 -9.163 1.00 0.00 N ATOM 0 H GLN A 7 -10.255 2.914 -7.415 1.00 0.00 H new ATOM 0 HA GLN A 7 -12.078 3.629 -5.318 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -11.232 1.100 -6.707 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.110 0.991 -5.194 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -13.830 0.995 -6.825 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -13.812 2.651 -6.252 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.688 0.613 -8.903 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -13.156 1.750 -10.146 1.00 0.00 H new ATOM 130 N LEU A 8 -9.184 2.263 -4.596 1.00 0.00 N ATOM 131 CA LEU A 8 -8.249 2.000 -3.516 1.00 0.00 C ATOM 132 C LEU A 8 -7.971 3.300 -2.759 1.00 0.00 C ATOM 133 O LEU A 8 -7.684 3.278 -1.563 1.00 0.00 O ATOM 134 CB LEU A 8 -6.988 1.319 -4.052 1.00 0.00 C ATOM 135 CG LEU A 8 -5.764 1.358 -3.136 1.00 0.00 C ATOM 136 CD1 LEU A 8 -5.640 0.062 -2.331 1.00 0.00 C ATOM 137 CD2 LEU A 8 -4.493 1.662 -3.932 1.00 0.00 C ATOM 0 H LEU A 8 -8.820 2.076 -5.530 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.681 1.300 -2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.225 0.277 -4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.722 1.786 -5.001 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.898 2.170 -2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.762 0.116 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.531 -0.072 -1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.539 -0.782 -3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.637 1.684 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.341 0.888 -4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.594 2.630 -4.422 1.00 0.00 H new ATOM 149 N SER A 9 -8.067 4.403 -3.487 1.00 0.00 N ATOM 150 CA SER A 9 -7.830 5.711 -2.899 1.00 0.00 C ATOM 151 C SER A 9 -9.053 6.152 -2.093 1.00 0.00 C ATOM 152 O SER A 9 -9.093 7.269 -1.580 1.00 0.00 O ATOM 153 CB SER A 9 -7.503 6.747 -3.976 1.00 0.00 C ATOM 154 OG SER A 9 -7.553 8.078 -3.469 1.00 0.00 O ATOM 0 H SER A 9 -8.306 4.418 -4.479 1.00 0.00 H new ATOM 0 HA SER A 9 -6.971 5.636 -2.232 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.510 6.550 -4.379 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.208 6.647 -4.801 1.00 0.00 H new ATOM 0 HG SER A 9 -8.182 8.119 -2.719 1.00 0.00 H new ATOM 160 N GLN A 10 -10.021 5.251 -2.005 1.00 0.00 N ATOM 161 CA GLN A 10 -11.242 5.533 -1.270 1.00 0.00 C ATOM 162 C GLN A 10 -11.186 4.889 0.117 1.00 0.00 C ATOM 163 O GLN A 10 -12.199 4.814 0.811 1.00 0.00 O ATOM 164 CB GLN A 10 -12.472 5.058 -2.046 1.00 0.00 C ATOM 165 CG GLN A 10 -12.346 5.395 -3.533 1.00 0.00 C ATOM 166 CD GLN A 10 -13.624 5.028 -4.289 1.00 0.00 C ATOM 167 OE1 GLN A 10 -14.000 3.761 -4.132 1.00 0.00 O flip ATOM 168 NE2 GLN A 10 -14.229 5.840 -4.969 1.00 0.00 N flip ATOM 0 H GLN A 10 -9.984 4.325 -2.431 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.327 6.613 -1.145 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.591 3.982 -1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.367 5.527 -1.638 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.142 6.459 -3.652 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.499 4.858 -3.961 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.885 6.797 -5.047 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.079 5.562 -5.460 1.00 0.00 H new ATOM 177 N TYR A 11 -9.993 4.442 0.480 1.00 0.00 N ATOM 178 CA TYR A 11 -9.793 3.807 1.771 1.00 0.00 C ATOM 179 C TYR A 11 -8.501 4.297 2.428 1.00 0.00 C ATOM 180 O TYR A 11 -7.762 3.509 3.017 1.00 0.00 O ATOM 181 CB TYR A 11 -9.671 2.308 1.491 1.00 0.00 C ATOM 182 CG TYR A 11 -10.786 1.749 0.605 1.00 0.00 C ATOM 183 CD1 TYR A 11 -12.002 1.405 1.161 1.00 0.00 C ATOM 184 CD2 TYR A 11 -10.577 1.588 -0.750 1.00 0.00 C ATOM 185 CE1 TYR A 11 -13.052 0.879 0.327 1.00 0.00 C ATOM 186 CE2 TYR A 11 -11.626 1.062 -1.583 1.00 0.00 C ATOM 187 CZ TYR A 11 -12.812 0.733 -1.003 1.00 0.00 C ATOM 188 OH TYR A 11 -13.803 0.236 -1.791 1.00 0.00 O ATOM 0 H TYR A 11 -9.155 4.507 -0.098 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.618 4.040 2.445 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -8.710 2.115 1.014 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.670 1.770 2.439 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -12.166 1.530 2.221 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.626 1.857 -1.185 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.008 0.607 0.749 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -11.475 0.931 -2.644 1.00 0.00 H new ATOM 0 HH TYR A 11 -13.490 0.188 -2.719 1.00 0.00 H new ATOM 198 N ASN A 12 -8.268 5.596 2.306 1.00 0.00 N ATOM 199 CA ASN A 12 -7.078 6.200 2.880 1.00 0.00 C ATOM 200 C ASN A 12 -7.337 6.529 4.352 1.00 0.00 C ATOM 201 O ASN A 12 -6.500 7.142 5.012 1.00 0.00 O ATOM 202 CB ASN A 12 -6.719 7.502 2.161 1.00 0.00 C ATOM 203 CG ASN A 12 -7.328 8.709 2.878 1.00 0.00 C ATOM 204 OD1 ASN A 12 -8.657 8.695 2.926 1.00 0.00 O flip ATOM 205 ND2 ASN A 12 -6.637 9.595 3.354 1.00 0.00 N flip ATOM 0 H ASN A 12 -8.883 6.247 1.818 1.00 0.00 H new ATOM 0 HA ASN A 12 -6.256 5.491 2.774 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.635 7.610 2.116 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -7.079 7.465 1.133 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.621 9.544 3.282 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -7.076 10.387 3.824 1.00 0.00 H new ATOM 212 N GLY A 13 -8.501 6.105 4.823 1.00 0.00 N ATOM 213 CA GLY A 13 -8.881 6.346 6.205 1.00 0.00 C ATOM 214 C GLY A 13 -9.484 7.743 6.371 1.00 0.00 C ATOM 215 O GLY A 13 -8.757 8.733 6.431 1.00 0.00 O ATOM 0 H GLY A 13 -9.193 5.596 4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.603 5.594 6.524 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.008 6.244 6.849 1.00 0.00 H new ATOM 219 N THR A 14 -10.806 7.777 6.443 1.00 0.00 N ATOM 220 CA THR A 14 -11.515 9.035 6.601 1.00 0.00 C ATOM 221 C THR A 14 -13.027 8.799 6.605 1.00 0.00 C ATOM 222 O THR A 14 -13.764 9.487 7.310 1.00 0.00 O ATOM 223 CB THR A 14 -11.051 9.982 5.493 1.00 0.00 C ATOM 224 OG1 THR A 14 -10.870 11.231 6.157 1.00 0.00 O ATOM 225 CG2 THR A 14 -12.148 10.262 4.464 1.00 0.00 C ATOM 0 H THR A 14 -11.405 6.953 6.395 1.00 0.00 H new ATOM 0 HA THR A 14 -11.288 9.499 7.561 1.00 0.00 H new ATOM 0 HB THR A 14 -10.183 9.555 4.990 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.337 11.096 6.968 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.766 10.939 3.700 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.457 9.326 3.998 1.00 0.00 H new ATOM 0 HG23 THR A 14 -13.004 10.720 4.960 1.00 0.00 H new ATOM 233 N ASP A 15 -13.443 7.825 5.810 1.00 0.00 N ATOM 234 CA ASP A 15 -14.854 7.490 5.713 1.00 0.00 C ATOM 235 C ASP A 15 -15.339 6.948 7.059 1.00 0.00 C ATOM 236 O ASP A 15 -14.614 7.002 8.051 1.00 0.00 O ATOM 237 CB ASP A 15 -15.092 6.410 4.655 1.00 0.00 C ATOM 238 CG ASP A 15 -14.593 6.760 3.251 1.00 0.00 C ATOM 239 OD1 ASP A 15 -13.568 7.470 3.174 1.00 0.00 O ATOM 240 OD2 ASP A 15 -15.249 6.308 2.288 1.00 0.00 O ATOM 0 H ASP A 15 -12.828 7.257 5.227 1.00 0.00 H new ATOM 0 HA ASP A 15 -15.397 8.393 5.435 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.604 5.491 4.979 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -16.161 6.202 4.603 1.00 0.00 H new ATOM 245 N GLU A 16 -16.561 6.437 7.049 1.00 0.00 N ATOM 246 CA GLU A 16 -17.152 5.886 8.257 1.00 0.00 C ATOM 247 C GLU A 16 -17.088 4.357 8.229 1.00 0.00 C ATOM 248 O GLU A 16 -16.722 3.729 9.221 1.00 0.00 O ATOM 249 CB GLU A 16 -18.591 6.371 8.435 1.00 0.00 C ATOM 250 CG GLU A 16 -18.637 7.667 9.248 1.00 0.00 C ATOM 251 CD GLU A 16 -18.431 8.887 8.347 1.00 0.00 C ATOM 252 OE1 GLU A 16 -19.397 9.236 7.636 1.00 0.00 O ATOM 253 OE2 GLU A 16 -17.312 9.442 8.390 1.00 0.00 O ATOM 0 H GLU A 16 -17.158 6.393 6.223 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.577 6.239 9.113 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.047 6.534 7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.178 5.602 8.937 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.596 7.746 9.759 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -17.866 7.645 10.018 1.00 0.00 H new ATOM 260 N SER A 17 -17.450 3.803 7.081 1.00 0.00 N ATOM 261 CA SER A 17 -17.438 2.360 6.911 1.00 0.00 C ATOM 262 C SER A 17 -16.229 1.942 6.071 1.00 0.00 C ATOM 263 O SER A 17 -15.512 1.010 6.431 1.00 0.00 O ATOM 264 CB SER A 17 -18.733 1.873 6.257 1.00 0.00 C ATOM 265 OG SER A 17 -19.638 1.322 7.210 1.00 0.00 O ATOM 0 H SER A 17 -17.753 4.327 6.260 1.00 0.00 H new ATOM 0 HA SER A 17 -17.364 1.899 7.896 1.00 0.00 H new ATOM 0 HB2 SER A 17 -19.213 2.704 5.740 1.00 0.00 H new ATOM 0 HB3 SER A 17 -18.498 1.121 5.503 1.00 0.00 H new ATOM 0 HG SER A 17 -20.453 1.024 6.754 1.00 0.00 H new ATOM 271 N LYS A 18 -16.041 2.652 4.969 1.00 0.00 N ATOM 272 CA LYS A 18 -14.931 2.366 4.075 1.00 0.00 C ATOM 273 C LYS A 18 -13.701 1.986 4.902 1.00 0.00 C ATOM 274 O LYS A 18 -13.259 2.756 5.754 1.00 0.00 O ATOM 275 CB LYS A 18 -14.693 3.540 3.123 1.00 0.00 C ATOM 276 CG LYS A 18 -15.140 3.192 1.702 1.00 0.00 C ATOM 277 CD LYS A 18 -16.543 2.584 1.702 1.00 0.00 C ATOM 278 CE LYS A 18 -16.599 1.333 0.822 1.00 0.00 C ATOM 279 NZ LYS A 18 -16.592 0.111 1.657 1.00 0.00 N ATOM 0 H LYS A 18 -16.638 3.425 4.674 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.165 1.512 3.439 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -15.238 4.415 3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.635 3.803 3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.129 4.089 1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.435 2.489 1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.833 2.329 2.721 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.262 3.319 1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.498 1.354 0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.747 1.321 0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.185 -0.618 1.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.618 -0.242 1.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.968 0.333 2.601 1.00 0.00 H new ATOM 293 N PRO A 19 -13.169 0.768 4.615 1.00 0.00 N ATOM 294 CA PRO A 19 -11.998 0.277 5.322 1.00 0.00 C ATOM 295 C PRO A 19 -10.730 0.984 4.840 1.00 0.00 C ATOM 296 O PRO A 19 -10.802 2.044 4.221 1.00 0.00 O ATOM 297 CB PRO A 19 -11.980 -1.220 5.060 1.00 0.00 C ATOM 298 CG PRO A 19 -12.865 -1.441 3.844 1.00 0.00 C ATOM 299 CD PRO A 19 -13.665 -0.170 3.612 1.00 0.00 C ATOM 0 HA PRO A 19 -12.036 0.480 6.392 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.965 -1.572 4.874 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.355 -1.772 5.922 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.259 -1.676 2.969 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.532 -2.288 4.006 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.515 0.214 2.603 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.734 -0.348 3.730 1.00 0.00 H new ATOM 307 N ILE A 20 -9.596 0.367 5.142 1.00 0.00 N ATOM 308 CA ILE A 20 -8.314 0.924 4.747 1.00 0.00 C ATOM 309 C ILE A 20 -7.547 -0.109 3.919 1.00 0.00 C ATOM 310 O ILE A 20 -7.242 -1.197 4.406 1.00 0.00 O ATOM 311 CB ILE A 20 -7.546 1.422 5.973 1.00 0.00 C ATOM 312 CG1 ILE A 20 -8.389 2.407 6.786 1.00 0.00 C ATOM 313 CG2 ILE A 20 -6.196 2.019 5.570 1.00 0.00 C ATOM 314 CD1 ILE A 20 -8.892 1.762 8.078 1.00 0.00 C ATOM 0 H ILE A 20 -9.539 -0.513 5.655 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.458 1.798 4.112 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.340 0.567 6.617 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.795 3.290 7.023 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.237 2.744 6.190 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.671 2.365 6.460 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.597 1.259 5.068 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.357 2.859 4.894 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.488 2.483 8.637 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.505 0.894 7.836 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.041 1.448 8.683 1.00 0.00 H new ATOM 326 N TYR A 21 -7.258 0.267 2.683 1.00 0.00 N ATOM 327 CA TYR A 21 -6.532 -0.613 1.782 1.00 0.00 C ATOM 328 C TYR A 21 -5.271 0.068 1.247 1.00 0.00 C ATOM 329 O TYR A 21 -5.322 1.213 0.801 1.00 0.00 O ATOM 330 CB TYR A 21 -7.480 -0.896 0.615 1.00 0.00 C ATOM 331 CG TYR A 21 -8.716 -1.711 1.000 1.00 0.00 C ATOM 332 CD1 TYR A 21 -8.709 -2.473 2.151 1.00 0.00 C ATOM 333 CD2 TYR A 21 -9.838 -1.685 0.196 1.00 0.00 C ATOM 334 CE1 TYR A 21 -9.873 -3.240 2.514 1.00 0.00 C ATOM 335 CE2 TYR A 21 -11.001 -2.452 0.559 1.00 0.00 C ATOM 336 CZ TYR A 21 -10.961 -3.192 1.700 1.00 0.00 C ATOM 337 OH TYR A 21 -12.060 -3.917 2.042 1.00 0.00 O ATOM 0 H TYR A 21 -7.513 1.170 2.283 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.223 -1.521 2.299 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.802 0.052 0.184 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.933 -1.430 -0.162 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.831 -2.494 2.779 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.843 -1.089 -0.705 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.881 -3.840 3.412 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.886 -2.440 -0.061 1.00 0.00 H new ATOM 0 HH TYR A 21 -12.761 -3.786 1.369 1.00 0.00 H new ATOM 347 N VAL A 22 -4.170 -0.666 1.308 1.00 0.00 N ATOM 348 CA VAL A 22 -2.898 -0.147 0.835 1.00 0.00 C ATOM 349 C VAL A 22 -2.465 -0.926 -0.409 1.00 0.00 C ATOM 350 O VAL A 22 -2.791 -2.103 -0.553 1.00 0.00 O ATOM 351 CB VAL A 22 -1.862 -0.193 1.960 1.00 0.00 C ATOM 352 CG1 VAL A 22 -0.641 0.662 1.617 1.00 0.00 C ATOM 353 CG2 VAL A 22 -2.479 0.240 3.292 1.00 0.00 C ATOM 0 H VAL A 22 -4.132 -1.616 1.678 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.997 0.899 0.546 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.528 -1.225 2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.079 0.612 2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.180 0.288 0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.951 1.697 1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.721 0.198 4.075 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.855 1.259 3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.301 -0.429 3.547 1.00 0.00 H new ATOM 363 N ALA A 23 -1.737 -0.237 -1.276 1.00 0.00 N ATOM 364 CA ALA A 23 -1.256 -0.850 -2.502 1.00 0.00 C ATOM 365 C ALA A 23 0.252 -1.082 -2.394 1.00 0.00 C ATOM 366 O ALA A 23 0.990 -0.201 -1.955 1.00 0.00 O ATOM 367 CB ALA A 23 -1.625 0.036 -3.694 1.00 0.00 C ATOM 0 H ALA A 23 -1.469 0.739 -1.153 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.728 -1.820 -2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.264 -0.423 -4.614 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.708 0.146 -3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.166 1.017 -3.574 1.00 0.00 H new ATOM 373 N ILE A 24 0.665 -2.274 -2.801 1.00 0.00 N ATOM 374 CA ILE A 24 2.072 -2.633 -2.755 1.00 0.00 C ATOM 375 C ILE A 24 2.424 -3.458 -3.995 1.00 0.00 C ATOM 376 O ILE A 24 1.991 -4.601 -4.128 1.00 0.00 O ATOM 377 CB ILE A 24 2.403 -3.335 -1.436 1.00 0.00 C ATOM 378 CG1 ILE A 24 2.541 -2.323 -0.297 1.00 0.00 C ATOM 379 CG2 ILE A 24 3.649 -4.211 -1.579 1.00 0.00 C ATOM 380 CD1 ILE A 24 3.047 -3.000 0.979 1.00 0.00 C ATOM 0 H ILE A 24 0.050 -3.003 -3.164 1.00 0.00 H new ATOM 0 HA ILE A 24 2.694 -1.738 -2.779 1.00 0.00 H new ATOM 0 HB ILE A 24 1.573 -3.995 -1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.230 -1.531 -0.591 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.577 -1.852 -0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.862 -4.698 -0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.476 -4.968 -2.344 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.498 -3.592 -1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.136 -2.259 1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.343 -3.775 1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.022 -3.449 0.790 1.00 0.00 H new ATOM 392 N LYS A 25 3.207 -2.845 -4.871 1.00 0.00 N ATOM 393 CA LYS A 25 3.622 -3.507 -6.096 1.00 0.00 C ATOM 394 C LYS A 25 2.395 -3.762 -6.974 1.00 0.00 C ATOM 395 O LYS A 25 2.455 -4.548 -7.918 1.00 0.00 O ATOM 396 CB LYS A 25 4.422 -4.771 -5.776 1.00 0.00 C ATOM 397 CG LYS A 25 5.594 -4.457 -4.844 1.00 0.00 C ATOM 398 CD LYS A 25 5.644 -5.442 -3.674 1.00 0.00 C ATOM 399 CE LYS A 25 6.223 -6.788 -4.114 1.00 0.00 C ATOM 400 NZ LYS A 25 5.180 -7.615 -4.761 1.00 0.00 N ATOM 0 H LYS A 25 3.565 -1.897 -4.756 1.00 0.00 H new ATOM 0 HA LYS A 25 4.295 -2.867 -6.666 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.770 -5.510 -5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.796 -5.213 -6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.529 -4.502 -5.402 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.498 -3.440 -4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.251 -5.026 -2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.641 -5.587 -3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.049 -6.626 -4.807 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.630 -7.315 -3.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.421 -8.621 -4.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.261 -7.431 -4.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.124 -7.375 -5.771 1.00 0.00 H new ATOM 414 N GLY A 26 1.310 -3.082 -6.631 1.00 0.00 N ATOM 415 CA GLY A 26 0.071 -3.225 -7.377 1.00 0.00 C ATOM 416 C GLY A 26 -0.883 -4.193 -6.675 1.00 0.00 C ATOM 417 O GLY A 26 -1.829 -4.689 -7.284 1.00 0.00 O ATOM 0 H GLY A 26 1.263 -2.431 -5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.407 -2.251 -7.485 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.287 -3.587 -8.382 1.00 0.00 H new ATOM 421 N ARG A 27 -0.600 -4.434 -5.403 1.00 0.00 N ATOM 422 CA ARG A 27 -1.421 -5.334 -4.611 1.00 0.00 C ATOM 423 C ARG A 27 -2.088 -4.573 -3.463 1.00 0.00 C ATOM 424 O ARG A 27 -1.415 -3.898 -2.687 1.00 0.00 O ATOM 425 CB ARG A 27 -0.586 -6.480 -4.036 1.00 0.00 C ATOM 426 CG ARG A 27 -1.433 -7.741 -3.860 1.00 0.00 C ATOM 427 CD ARG A 27 -0.772 -8.713 -2.880 1.00 0.00 C ATOM 428 NE ARG A 27 -0.177 -9.850 -3.619 1.00 0.00 N ATOM 429 CZ ARG A 27 -0.872 -10.909 -4.054 1.00 0.00 C ATOM 430 NH1 ARG A 27 -2.191 -10.984 -3.828 1.00 0.00 N ATOM 431 NH2 ARG A 27 -0.248 -11.894 -4.715 1.00 0.00 N ATOM 0 H ARG A 27 0.186 -4.022 -4.901 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.185 -5.750 -5.268 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.253 -6.691 -4.699 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.167 -6.182 -3.075 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.424 -7.470 -3.496 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.570 -8.229 -4.825 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.001 -8.197 -2.308 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.509 -9.079 -2.165 1.00 0.00 H new ATOM 0 HE ARG A 27 0.825 -9.825 -3.809 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.666 -10.234 -3.325 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.720 -11.791 -4.159 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.756 -11.837 -4.887 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.777 -12.701 -5.046 1.00 0.00 H new ATOM 445 N VAL A 28 -3.405 -4.708 -3.393 1.00 0.00 N ATOM 446 CA VAL A 28 -4.170 -4.041 -2.353 1.00 0.00 C ATOM 447 C VAL A 28 -4.117 -4.876 -1.072 1.00 0.00 C ATOM 448 O VAL A 28 -4.508 -6.042 -1.070 1.00 0.00 O ATOM 449 CB VAL A 28 -5.598 -3.783 -2.839 1.00 0.00 C ATOM 450 CG1 VAL A 28 -6.507 -3.377 -1.678 1.00 0.00 C ATOM 451 CG2 VAL A 28 -5.618 -2.728 -3.947 1.00 0.00 C ATOM 0 H VAL A 28 -3.961 -5.269 -4.039 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.737 -3.067 -2.125 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.983 -4.713 -3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.516 -3.200 -2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.529 -4.176 -0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.125 -2.466 -1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.645 -2.564 -4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.204 -1.794 -3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.019 -3.074 -4.790 1.00 0.00 H new ATOM 461 N PHE A 29 -3.629 -4.246 -0.014 1.00 0.00 N ATOM 462 CA PHE A 29 -3.519 -4.915 1.271 1.00 0.00 C ATOM 463 C PHE A 29 -4.433 -4.263 2.310 1.00 0.00 C ATOM 464 O PHE A 29 -4.826 -3.107 2.158 1.00 0.00 O ATOM 465 CB PHE A 29 -2.066 -4.772 1.727 1.00 0.00 C ATOM 466 CG PHE A 29 -1.108 -5.772 1.076 1.00 0.00 C ATOM 467 CD1 PHE A 29 -1.260 -7.105 1.301 1.00 0.00 C ATOM 468 CD2 PHE A 29 -0.104 -5.328 0.273 1.00 0.00 C ATOM 469 CE1 PHE A 29 -0.371 -8.033 0.697 1.00 0.00 C ATOM 470 CE2 PHE A 29 0.785 -6.256 -0.331 1.00 0.00 C ATOM 471 CZ PHE A 29 0.633 -7.589 -0.106 1.00 0.00 C ATOM 0 H PHE A 29 -3.305 -3.279 -0.020 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.814 -5.960 1.172 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.725 -3.761 1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.022 -4.894 2.809 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.057 -7.457 1.939 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.017 -4.270 0.095 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.492 -9.091 0.875 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.582 -5.904 -0.969 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.310 -8.295 -0.565 1.00 0.00 H new ATOM 481 N ASP A 30 -4.747 -5.032 3.342 1.00 0.00 N ATOM 482 CA ASP A 30 -5.608 -4.543 4.405 1.00 0.00 C ATOM 483 C ASP A 30 -4.757 -4.209 5.632 1.00 0.00 C ATOM 484 O ASP A 30 -4.011 -5.054 6.124 1.00 0.00 O ATOM 485 CB ASP A 30 -6.632 -5.603 4.816 1.00 0.00 C ATOM 486 CG ASP A 30 -7.081 -5.537 6.277 1.00 0.00 C ATOM 487 OD1 ASP A 30 -6.182 -5.501 7.145 1.00 0.00 O ATOM 488 OD2 ASP A 30 -8.312 -5.525 6.493 1.00 0.00 O ATOM 0 H ASP A 30 -4.420 -5.991 3.465 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.130 -3.660 4.036 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.510 -5.505 4.177 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.208 -6.589 4.626 1.00 0.00 H new ATOM 493 N VAL A 31 -4.896 -2.973 6.090 1.00 0.00 N ATOM 494 CA VAL A 31 -4.149 -2.517 7.250 1.00 0.00 C ATOM 495 C VAL A 31 -5.117 -1.914 8.270 1.00 0.00 C ATOM 496 O VAL A 31 -4.692 -1.363 9.284 1.00 0.00 O ATOM 497 CB VAL A 31 -3.054 -1.541 6.816 1.00 0.00 C ATOM 498 CG1 VAL A 31 -2.194 -2.142 5.702 1.00 0.00 C ATOM 499 CG2 VAL A 31 -3.653 -0.201 6.383 1.00 0.00 C ATOM 0 H VAL A 31 -5.514 -2.274 5.679 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.647 -3.354 7.734 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.409 -1.358 7.676 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.423 -1.428 5.412 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.724 -3.058 6.059 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.822 -2.369 4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.853 0.474 6.080 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.331 -0.360 5.545 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.202 0.238 7.216 1.00 0.00 H new ATOM 509 N THR A 32 -6.401 -2.039 7.965 1.00 0.00 N ATOM 510 CA THR A 32 -7.433 -1.513 8.843 1.00 0.00 C ATOM 511 C THR A 32 -7.210 -1.996 10.277 1.00 0.00 C ATOM 512 O THR A 32 -7.654 -1.354 11.228 1.00 0.00 O ATOM 513 CB THR A 32 -8.792 -1.917 8.269 1.00 0.00 C ATOM 514 OG1 THR A 32 -9.559 -2.278 9.415 1.00 0.00 O ATOM 515 CG2 THR A 32 -8.721 -3.206 7.448 1.00 0.00 C ATOM 0 H THR A 32 -6.750 -2.497 7.123 1.00 0.00 H new ATOM 0 HA THR A 32 -7.395 -0.425 8.891 1.00 0.00 H new ATOM 0 HB THR A 32 -9.177 -1.110 7.646 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.457 -2.552 9.134 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.712 -3.448 7.064 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.032 -3.069 6.614 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.368 -4.021 8.080 1.00 0.00 H new ATOM 523 N THR A 33 -6.523 -3.123 10.388 1.00 0.00 N ATOM 524 CA THR A 33 -6.236 -3.700 11.690 1.00 0.00 C ATOM 525 C THR A 33 -5.500 -2.688 12.571 1.00 0.00 C ATOM 526 O THR A 33 -5.313 -2.919 13.765 1.00 0.00 O ATOM 527 CB THR A 33 -5.454 -4.997 11.472 1.00 0.00 C ATOM 528 OG1 THR A 33 -4.184 -4.560 10.995 1.00 0.00 O ATOM 529 CG2 THR A 33 -6.017 -5.832 10.320 1.00 0.00 C ATOM 0 H THR A 33 -6.156 -3.652 9.597 1.00 0.00 H new ATOM 0 HA THR A 33 -7.154 -3.944 12.225 1.00 0.00 H new ATOM 0 HB THR A 33 -5.466 -5.587 12.388 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.612 -5.338 10.829 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.427 -6.741 10.207 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.053 -6.096 10.534 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.973 -5.254 9.397 1.00 0.00 H new ATOM 537 N GLY A 34 -5.102 -1.588 11.948 1.00 0.00 N ATOM 538 CA GLY A 34 -4.391 -0.541 12.661 1.00 0.00 C ATOM 539 C GLY A 34 -4.606 0.819 11.993 1.00 0.00 C ATOM 540 O GLY A 34 -3.652 1.564 11.772 1.00 0.00 O ATOM 0 H GLY A 34 -5.259 -1.400 10.958 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.735 -0.501 13.694 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.326 -0.773 12.688 1.00 0.00 H new ATOM 544 N LYS A 35 -5.865 1.102 11.691 1.00 0.00 N ATOM 545 CA LYS A 35 -6.217 2.359 11.054 1.00 0.00 C ATOM 546 C LYS A 35 -5.588 3.516 11.834 1.00 0.00 C ATOM 547 O LYS A 35 -5.387 4.600 11.289 1.00 0.00 O ATOM 548 CB LYS A 35 -7.734 2.475 10.899 1.00 0.00 C ATOM 549 CG LYS A 35 -8.339 3.311 12.029 1.00 0.00 C ATOM 550 CD LYS A 35 -9.853 3.448 11.860 1.00 0.00 C ATOM 551 CE LYS A 35 -10.435 4.415 12.894 1.00 0.00 C ATOM 552 NZ LYS A 35 -11.214 5.481 12.225 1.00 0.00 N ATOM 0 H LYS A 35 -6.654 0.482 11.876 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.813 2.399 10.043 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.971 2.931 9.938 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.180 1.480 10.899 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.117 2.845 12.989 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.880 4.300 12.041 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.080 3.805 10.855 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.324 2.471 11.965 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.074 3.871 13.590 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.630 4.858 13.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.602 6.128 12.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.594 6.010 11.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.994 5.054 11.685 1.00 0.00 H new ATOM 566 N SER A 36 -5.296 3.245 13.097 1.00 0.00 N ATOM 567 CA SER A 36 -4.694 4.249 13.958 1.00 0.00 C ATOM 568 C SER A 36 -3.382 4.744 13.347 1.00 0.00 C ATOM 569 O SER A 36 -2.886 5.809 13.711 1.00 0.00 O ATOM 570 CB SER A 36 -4.450 3.696 15.363 1.00 0.00 C ATOM 571 OG SER A 36 -5.067 4.497 16.367 1.00 0.00 O ATOM 0 H SER A 36 -5.465 2.345 13.545 1.00 0.00 H new ATOM 0 HA SER A 36 -5.387 5.086 14.042 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.835 2.678 15.424 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.378 3.643 15.550 1.00 0.00 H new ATOM 0 HG SER A 36 -4.889 4.110 17.249 1.00 0.00 H new ATOM 577 N PHE A 37 -2.856 3.947 12.428 1.00 0.00 N ATOM 578 CA PHE A 37 -1.611 4.290 11.763 1.00 0.00 C ATOM 579 C PHE A 37 -1.859 4.696 10.309 1.00 0.00 C ATOM 580 O PHE A 37 -1.296 5.679 9.831 1.00 0.00 O ATOM 581 CB PHE A 37 -0.731 3.039 11.788 1.00 0.00 C ATOM 582 CG PHE A 37 -0.353 2.571 13.195 1.00 0.00 C ATOM 583 CD1 PHE A 37 -1.241 1.853 13.934 1.00 0.00 C ATOM 584 CD2 PHE A 37 0.870 2.873 13.706 1.00 0.00 C ATOM 585 CE1 PHE A 37 -0.890 1.419 15.240 1.00 0.00 C ATOM 586 CE2 PHE A 37 1.221 2.439 15.012 1.00 0.00 C ATOM 587 CZ PHE A 37 0.334 1.721 15.751 1.00 0.00 C ATOM 0 H PHE A 37 -3.270 3.064 12.128 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.138 5.131 12.271 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.252 2.231 11.275 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.181 3.238 11.225 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.213 1.613 13.528 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.575 3.443 13.119 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.595 0.849 15.827 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.192 2.679 15.418 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.601 1.390 16.744 1.00 0.00 H new ATOM 597 N TYR A 38 -2.703 3.918 9.647 1.00 0.00 N ATOM 598 CA TYR A 38 -3.033 4.184 8.257 1.00 0.00 C ATOM 599 C TYR A 38 -4.275 5.071 8.149 1.00 0.00 C ATOM 600 O TYR A 38 -4.347 5.943 7.284 1.00 0.00 O ATOM 601 CB TYR A 38 -3.336 2.823 7.628 1.00 0.00 C ATOM 602 CG TYR A 38 -2.288 2.359 6.614 1.00 0.00 C ATOM 603 CD1 TYR A 38 -2.164 3.009 5.403 1.00 0.00 C ATOM 604 CD2 TYR A 38 -1.466 1.291 6.912 1.00 0.00 C ATOM 605 CE1 TYR A 38 -1.177 2.572 4.449 1.00 0.00 C ATOM 606 CE2 TYR A 38 -0.480 0.855 5.958 1.00 0.00 C ATOM 607 CZ TYR A 38 -0.384 1.517 4.774 1.00 0.00 C ATOM 608 OH TYR A 38 0.548 1.104 3.873 1.00 0.00 O ATOM 0 H TYR A 38 -3.168 3.103 10.047 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.212 4.701 7.759 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.416 2.078 8.420 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.307 2.870 7.136 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.807 3.845 5.171 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.562 0.783 7.860 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.070 3.071 3.497 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.169 0.020 6.178 1.00 0.00 H new ATOM 0 HH TYR A 38 1.145 0.452 4.296 1.00 0.00 H new ATOM 618 N GLY A 39 -5.223 4.818 9.039 1.00 0.00 N ATOM 619 CA GLY A 39 -6.459 5.582 9.055 1.00 0.00 C ATOM 620 C GLY A 39 -6.184 7.074 8.857 1.00 0.00 C ATOM 621 O GLY A 39 -5.034 7.509 8.912 1.00 0.00 O ATOM 0 H GLY A 39 -5.160 4.094 9.755 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.123 5.223 8.268 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.975 5.426 10.003 1.00 0.00 H new ATOM 625 N SER A 40 -7.257 7.817 8.630 1.00 0.00 N ATOM 626 CA SER A 40 -7.146 9.250 8.423 1.00 0.00 C ATOM 627 C SER A 40 -6.038 9.822 9.311 1.00 0.00 C ATOM 628 O SER A 40 -6.057 9.640 10.527 1.00 0.00 O ATOM 629 CB SER A 40 -8.473 9.954 8.712 1.00 0.00 C ATOM 630 OG SER A 40 -8.826 10.873 7.681 1.00 0.00 O ATOM 0 H SER A 40 -8.209 7.452 8.585 1.00 0.00 H new ATOM 0 HA SER A 40 -6.893 9.425 7.377 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.262 9.210 8.820 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.403 10.484 9.662 1.00 0.00 H new ATOM 0 HG SER A 40 -8.693 10.451 6.807 1.00 0.00 H new ATOM 636 N GLY A 41 -5.100 10.502 8.668 1.00 0.00 N ATOM 637 CA GLY A 41 -3.987 11.102 9.384 1.00 0.00 C ATOM 638 C GLY A 41 -3.386 10.116 10.388 1.00 0.00 C ATOM 639 O GLY A 41 -3.772 10.102 11.556 1.00 0.00 O ATOM 0 H GLY A 41 -5.088 10.651 7.659 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.221 11.417 8.675 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.326 11.997 9.906 1.00 0.00 H new ATOM 643 N GLY A 42 -2.452 9.315 9.897 1.00 0.00 N ATOM 644 CA GLY A 42 -1.794 8.329 10.737 1.00 0.00 C ATOM 645 C GLY A 42 -0.386 8.023 10.223 1.00 0.00 C ATOM 646 O GLY A 42 0.071 8.629 9.255 1.00 0.00 O ATOM 0 H GLY A 42 -2.135 9.329 8.928 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.739 8.697 11.761 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.384 7.413 10.759 1.00 0.00 H new ATOM 650 N ASP A 43 0.263 7.083 10.895 1.00 0.00 N ATOM 651 CA ASP A 43 1.611 6.690 10.518 1.00 0.00 C ATOM 652 C ASP A 43 1.703 6.598 8.994 1.00 0.00 C ATOM 653 O ASP A 43 2.615 7.161 8.389 1.00 0.00 O ATOM 654 CB ASP A 43 1.966 5.319 11.096 1.00 0.00 C ATOM 655 CG ASP A 43 3.205 5.296 11.993 1.00 0.00 C ATOM 656 OD1 ASP A 43 3.052 5.647 13.182 1.00 0.00 O ATOM 657 OD2 ASP A 43 4.279 4.928 11.468 1.00 0.00 O ATOM 0 H ASP A 43 -0.119 6.582 11.697 1.00 0.00 H new ATOM 0 HA ASP A 43 2.302 7.437 10.909 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.115 4.952 11.669 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.120 4.623 10.272 1.00 0.00 H new ATOM 662 N TYR A 44 0.747 5.886 8.416 1.00 0.00 N ATOM 663 CA TYR A 44 0.710 5.713 6.974 1.00 0.00 C ATOM 664 C TYR A 44 -0.378 6.586 6.346 1.00 0.00 C ATOM 665 O TYR A 44 -1.289 6.077 5.694 1.00 0.00 O ATOM 666 CB TYR A 44 0.368 4.242 6.734 1.00 0.00 C ATOM 667 CG TYR A 44 0.979 3.285 7.760 1.00 0.00 C ATOM 668 CD1 TYR A 44 2.350 3.159 7.856 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.158 2.549 8.591 1.00 0.00 C ATOM 670 CE1 TYR A 44 2.924 2.259 8.822 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.733 1.650 9.557 1.00 0.00 C ATOM 672 CZ TYR A 44 2.088 1.549 9.625 1.00 0.00 C ATOM 673 OH TYR A 44 2.630 0.699 10.538 1.00 0.00 O ATOM 0 H TYR A 44 -0.008 5.422 8.921 1.00 0.00 H new ATOM 0 HA TYR A 44 1.663 5.998 6.529 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.716 4.125 6.744 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.710 3.958 5.739 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.992 3.735 7.207 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.915 2.648 8.516 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.995 2.150 8.907 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.103 1.068 10.213 1.00 0.00 H new ATOM 0 HH TYR A 44 1.913 0.260 11.042 1.00 0.00 H new ATOM 683 N SER A 45 -0.248 7.887 6.563 1.00 0.00 N ATOM 684 CA SER A 45 -1.209 8.835 6.027 1.00 0.00 C ATOM 685 C SER A 45 -0.990 9.008 4.522 1.00 0.00 C ATOM 686 O SER A 45 -1.939 9.246 3.777 1.00 0.00 O ATOM 687 CB SER A 45 -1.105 10.186 6.737 1.00 0.00 C ATOM 688 OG SER A 45 -2.342 10.893 6.724 1.00 0.00 O ATOM 0 H SER A 45 0.509 8.306 7.103 1.00 0.00 H new ATOM 0 HA SER A 45 -2.211 8.441 6.199 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.787 10.030 7.768 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.337 10.791 6.255 1.00 0.00 H new ATOM 0 HG SER A 45 -2.168 11.857 6.727 1.00 0.00 H new ATOM 694 N MET A 46 0.266 8.880 4.121 1.00 0.00 N ATOM 695 CA MET A 46 0.622 9.019 2.719 1.00 0.00 C ATOM 696 C MET A 46 0.400 7.707 1.965 1.00 0.00 C ATOM 697 O MET A 46 0.229 7.708 0.747 1.00 0.00 O ATOM 698 CB MET A 46 2.091 9.433 2.604 1.00 0.00 C ATOM 699 CG MET A 46 2.979 8.556 3.489 1.00 0.00 C ATOM 700 SD MET A 46 3.346 9.404 5.016 1.00 0.00 S ATOM 701 CE MET A 46 3.785 11.013 4.379 1.00 0.00 C ATOM 0 H MET A 46 1.050 8.681 4.742 1.00 0.00 H new ATOM 0 HA MET A 46 -0.016 9.783 2.275 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.415 9.354 1.566 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.202 10.478 2.894 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.477 7.612 3.699 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.904 8.316 2.965 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.613 11.421 4.959 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.084 10.922 3.335 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.926 11.680 4.453 1.00 0.00 H new ATOM 711 N PHE A 47 0.411 6.618 2.720 1.00 0.00 N ATOM 712 CA PHE A 47 0.213 5.302 2.138 1.00 0.00 C ATOM 713 C PHE A 47 -1.276 4.981 2.002 1.00 0.00 C ATOM 714 O PHE A 47 -1.683 4.290 1.069 1.00 0.00 O ATOM 715 CB PHE A 47 0.856 4.291 3.089 1.00 0.00 C ATOM 716 CG PHE A 47 2.341 4.544 3.356 1.00 0.00 C ATOM 717 CD1 PHE A 47 3.046 5.375 2.542 1.00 0.00 C ATOM 718 CD2 PHE A 47 2.956 3.938 4.407 1.00 0.00 C ATOM 719 CE1 PHE A 47 4.424 5.610 2.790 1.00 0.00 C ATOM 720 CE2 PHE A 47 4.335 4.173 4.654 1.00 0.00 C ATOM 721 CZ PHE A 47 5.040 5.004 3.841 1.00 0.00 C ATOM 0 H PHE A 47 0.554 6.621 3.730 1.00 0.00 H new ATOM 0 HA PHE A 47 0.657 5.264 1.143 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.319 4.308 4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.738 3.290 2.673 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.558 5.856 1.707 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.396 3.278 5.053 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.984 6.270 2.144 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.824 3.691 5.488 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.088 5.183 4.029 1.00 0.00 H new ATOM 731 N ALA A 48 -2.049 5.498 2.946 1.00 0.00 N ATOM 732 CA ALA A 48 -3.485 5.275 2.943 1.00 0.00 C ATOM 733 C ALA A 48 -4.056 5.675 1.581 1.00 0.00 C ATOM 734 O ALA A 48 -3.875 6.808 1.137 1.00 0.00 O ATOM 735 CB ALA A 48 -4.125 6.052 4.095 1.00 0.00 C ATOM 0 H ALA A 48 -1.708 6.071 3.718 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.710 4.220 3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.202 5.885 4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.707 5.710 5.042 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.923 7.116 3.973 1.00 0.00 H new ATOM 741 N GLY A 49 -4.734 4.724 0.956 1.00 0.00 N ATOM 742 CA GLY A 49 -5.333 4.963 -0.346 1.00 0.00 C ATOM 743 C GLY A 49 -4.266 5.319 -1.383 1.00 0.00 C ATOM 744 O GLY A 49 -4.534 6.063 -2.325 1.00 0.00 O ATOM 0 H GLY A 49 -4.882 3.786 1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.877 4.075 -0.669 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.059 5.773 -0.273 1.00 0.00 H new ATOM 748 N LYS A 50 -3.078 4.770 -1.175 1.00 0.00 N ATOM 749 CA LYS A 50 -1.970 5.019 -2.080 1.00 0.00 C ATOM 750 C LYS A 50 -0.948 3.888 -1.953 1.00 0.00 C ATOM 751 O LYS A 50 -0.806 3.292 -0.886 1.00 0.00 O ATOM 752 CB LYS A 50 -1.381 6.410 -1.836 1.00 0.00 C ATOM 753 CG LYS A 50 -2.380 7.504 -2.219 1.00 0.00 C ATOM 754 CD LYS A 50 -1.678 8.852 -2.389 1.00 0.00 C ATOM 755 CE LYS A 50 -2.385 9.944 -1.584 1.00 0.00 C ATOM 756 NZ LYS A 50 -2.595 11.149 -2.418 1.00 0.00 N ATOM 0 H LYS A 50 -2.859 4.153 -0.392 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.316 5.021 -3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.108 6.514 -0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.466 6.528 -2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.884 7.233 -3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.149 7.585 -1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.641 8.769 -2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.661 9.126 -3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.344 9.574 -1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.790 10.200 -0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.076 11.880 -1.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.676 11.511 -2.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.181 10.904 -3.241 1.00 0.00 H new ATOM 770 N ASP A 51 -0.262 3.626 -3.056 1.00 0.00 N ATOM 771 CA ASP A 51 0.742 2.576 -3.081 1.00 0.00 C ATOM 772 C ASP A 51 2.084 3.149 -2.621 1.00 0.00 C ATOM 773 O ASP A 51 2.689 3.961 -3.321 1.00 0.00 O ATOM 774 CB ASP A 51 0.925 2.021 -4.495 1.00 0.00 C ATOM 775 CG ASP A 51 1.974 0.916 -4.626 1.00 0.00 C ATOM 776 OD1 ASP A 51 2.996 1.016 -3.914 1.00 0.00 O ATOM 777 OD2 ASP A 51 1.730 -0.005 -5.435 1.00 0.00 O ATOM 0 H ASP A 51 -0.382 4.123 -3.939 1.00 0.00 H new ATOM 0 HA ASP A 51 0.409 1.776 -2.420 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.033 1.635 -4.844 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.199 2.841 -5.158 1.00 0.00 H new ATOM 782 N ALA A 52 2.511 2.705 -1.448 1.00 0.00 N ATOM 783 CA ALA A 52 3.770 3.164 -0.887 1.00 0.00 C ATOM 784 C ALA A 52 4.847 2.105 -1.129 1.00 0.00 C ATOM 785 O ALA A 52 5.526 1.680 -0.195 1.00 0.00 O ATOM 786 CB ALA A 52 3.583 3.477 0.599 1.00 0.00 C ATOM 0 H ALA A 52 2.007 2.032 -0.871 1.00 0.00 H new ATOM 0 HA ALA A 52 4.096 4.083 -1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.528 3.821 1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.829 4.255 0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.259 2.577 1.122 1.00 0.00 H new ATOM 792 N SER A 53 4.971 1.709 -2.387 1.00 0.00 N ATOM 793 CA SER A 53 5.954 0.707 -2.763 1.00 0.00 C ATOM 794 C SER A 53 7.358 1.314 -2.728 1.00 0.00 C ATOM 795 O SER A 53 8.254 0.777 -2.078 1.00 0.00 O ATOM 796 CB SER A 53 5.656 0.138 -4.152 1.00 0.00 C ATOM 797 OG SER A 53 5.310 1.158 -5.084 1.00 0.00 O ATOM 0 H SER A 53 4.407 2.064 -3.159 1.00 0.00 H new ATOM 0 HA SER A 53 5.901 -0.112 -2.046 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.528 -0.405 -4.516 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.840 -0.581 -4.082 1.00 0.00 H new ATOM 0 HG SER A 53 4.358 1.374 -4.994 1.00 0.00 H new ATOM 803 N ARG A 54 7.507 2.424 -3.437 1.00 0.00 N ATOM 804 CA ARG A 54 8.787 3.108 -3.495 1.00 0.00 C ATOM 805 C ARG A 54 9.128 3.714 -2.132 1.00 0.00 C ATOM 806 O ARG A 54 10.259 3.599 -1.663 1.00 0.00 O ATOM 807 CB ARG A 54 8.771 4.218 -4.548 1.00 0.00 C ATOM 808 CG ARG A 54 7.727 3.932 -5.630 1.00 0.00 C ATOM 809 CD ARG A 54 8.157 4.518 -6.976 1.00 0.00 C ATOM 810 NE ARG A 54 9.561 4.147 -7.264 1.00 0.00 N ATOM 811 CZ ARG A 54 10.329 4.762 -8.173 1.00 0.00 C ATOM 812 NH1 ARG A 54 9.835 5.781 -8.889 1.00 0.00 N ATOM 813 NH2 ARG A 54 11.592 4.358 -8.367 1.00 0.00 N ATOM 0 H ARG A 54 6.762 2.866 -3.976 1.00 0.00 H new ATOM 0 HA ARG A 54 9.543 2.372 -3.769 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.553 5.174 -4.071 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.757 4.306 -5.003 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.584 2.856 -5.727 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.767 4.356 -5.335 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.505 4.149 -7.768 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.055 5.603 -6.959 1.00 0.00 H new ATOM 0 HE ARG A 54 9.969 3.375 -6.737 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.874 6.089 -8.742 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.420 6.249 -9.581 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.969 3.582 -7.822 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.177 4.826 -9.059 1.00 0.00 H new ATOM 827 N ALA A 55 8.128 4.346 -1.534 1.00 0.00 N ATOM 828 CA ALA A 55 8.308 4.970 -0.234 1.00 0.00 C ATOM 829 C ALA A 55 8.726 3.906 0.783 1.00 0.00 C ATOM 830 O ALA A 55 9.535 4.174 1.670 1.00 0.00 O ATOM 831 CB ALA A 55 7.019 5.688 0.170 1.00 0.00 C ATOM 0 H ALA A 55 7.191 4.439 -1.926 1.00 0.00 H new ATOM 0 HA ALA A 55 9.100 5.718 -0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.154 6.156 1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.781 6.452 -0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.203 4.968 0.223 1.00 0.00 H new ATOM 837 N LEU A 56 8.155 2.722 0.622 1.00 0.00 N ATOM 838 CA LEU A 56 8.458 1.617 1.516 1.00 0.00 C ATOM 839 C LEU A 56 9.885 1.131 1.253 1.00 0.00 C ATOM 840 O LEU A 56 10.635 0.861 2.190 1.00 0.00 O ATOM 841 CB LEU A 56 7.401 0.518 1.387 1.00 0.00 C ATOM 842 CG LEU A 56 6.104 0.741 2.168 1.00 0.00 C ATOM 843 CD1 LEU A 56 4.965 -0.101 1.590 1.00 0.00 C ATOM 844 CD2 LEU A 56 6.310 0.479 3.661 1.00 0.00 C ATOM 0 H LEU A 56 7.484 2.503 -0.114 1.00 0.00 H new ATOM 0 HA LEU A 56 8.418 1.945 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.152 0.403 0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.842 -0.423 1.715 1.00 0.00 H new ATOM 0 HG LEU A 56 5.817 1.787 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.055 0.076 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.799 0.177 0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.229 -1.157 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.373 0.645 4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.633 -0.551 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.071 1.157 4.048 1.00 0.00 H new ATOM 856 N GLY A 57 10.216 1.033 -0.026 1.00 0.00 N ATOM 857 CA GLY A 57 11.540 0.584 -0.424 1.00 0.00 C ATOM 858 C GLY A 57 12.628 1.428 0.242 1.00 0.00 C ATOM 859 O GLY A 57 13.280 0.977 1.183 1.00 0.00 O ATOM 0 H GLY A 57 9.591 1.257 -0.800 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.670 -0.463 -0.152 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.639 0.646 -1.508 1.00 0.00 H new ATOM 863 N LYS A 58 12.791 2.639 -0.271 1.00 0.00 N ATOM 864 CA LYS A 58 13.789 3.550 0.262 1.00 0.00 C ATOM 865 C LYS A 58 13.439 3.891 1.712 1.00 0.00 C ATOM 866 O LYS A 58 14.306 4.300 2.484 1.00 0.00 O ATOM 867 CB LYS A 58 13.932 4.777 -0.641 1.00 0.00 C ATOM 868 CG LYS A 58 14.037 4.366 -2.111 1.00 0.00 C ATOM 869 CD LYS A 58 12.726 4.637 -2.851 1.00 0.00 C ATOM 870 CE LYS A 58 12.988 5.017 -4.310 1.00 0.00 C ATOM 871 NZ LYS A 58 12.337 6.305 -4.635 1.00 0.00 N ATOM 0 H LYS A 58 12.248 3.010 -1.051 1.00 0.00 H new ATOM 0 HA LYS A 58 14.770 3.076 0.273 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.074 5.436 -0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.818 5.343 -0.354 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.849 4.915 -2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.285 3.307 -2.179 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.092 3.752 -2.810 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.183 5.441 -2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.061 5.091 -4.486 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.610 4.235 -4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.525 6.548 -5.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.311 6.223 -4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.717 7.051 -4.018 1.00 0.00 H new ATOM 885 N MET A 59 12.168 3.710 2.039 1.00 0.00 N ATOM 886 CA MET A 59 11.693 3.993 3.382 1.00 0.00 C ATOM 887 C MET A 59 11.717 5.496 3.667 1.00 0.00 C ATOM 888 O MET A 59 12.249 5.930 4.688 1.00 0.00 O ATOM 889 CB MET A 59 12.575 3.267 4.400 1.00 0.00 C ATOM 890 CG MET A 59 12.665 1.773 4.080 1.00 0.00 C ATOM 891 SD MET A 59 14.270 1.145 4.543 1.00 0.00 S ATOM 892 CE MET A 59 13.800 0.031 5.856 1.00 0.00 C ATOM 0 H MET A 59 11.452 3.371 1.396 1.00 0.00 H new ATOM 0 HA MET A 59 10.664 3.643 3.464 1.00 0.00 H new ATOM 0 HB2 MET A 59 13.574 3.704 4.398 1.00 0.00 H new ATOM 0 HB3 MET A 59 12.169 3.404 5.402 1.00 0.00 H new ATOM 0 HG2 MET A 59 11.885 1.231 4.615 1.00 0.00 H new ATOM 0 HG3 MET A 59 12.495 1.610 3.016 1.00 0.00 H new ATOM 0 HE1 MET A 59 14.690 -0.450 6.261 1.00 0.00 H new ATOM 0 HE2 MET A 59 13.299 0.590 6.646 1.00 0.00 H new ATOM 0 HE3 MET A 59 13.124 -0.729 5.464 1.00 0.00 H new ATOM 902 N SER A 60 11.135 6.250 2.746 1.00 0.00 N ATOM 903 CA SER A 60 11.083 7.696 2.885 1.00 0.00 C ATOM 904 C SER A 60 9.675 8.132 3.294 1.00 0.00 C ATOM 905 O SER A 60 9.507 9.153 3.959 1.00 0.00 O ATOM 906 CB SER A 60 11.497 8.389 1.585 1.00 0.00 C ATOM 907 OG SER A 60 12.217 9.594 1.829 1.00 0.00 O ATOM 0 H SER A 60 10.695 5.887 1.900 1.00 0.00 H new ATOM 0 HA SER A 60 11.788 7.991 3.663 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.113 7.712 0.993 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.609 8.611 0.993 1.00 0.00 H new ATOM 0 HG SER A 60 11.643 10.364 1.633 1.00 0.00 H new ATOM 913 N LYS A 61 8.700 7.336 2.880 1.00 0.00 N ATOM 914 CA LYS A 61 7.312 7.627 3.196 1.00 0.00 C ATOM 915 C LYS A 61 6.887 8.908 2.474 1.00 0.00 C ATOM 916 O LYS A 61 5.900 9.539 2.851 1.00 0.00 O ATOM 917 CB LYS A 61 7.106 7.679 4.711 1.00 0.00 C ATOM 918 CG LYS A 61 7.771 6.483 5.396 1.00 0.00 C ATOM 919 CD LYS A 61 6.849 5.874 6.453 1.00 0.00 C ATOM 920 CE LYS A 61 7.539 4.719 7.183 1.00 0.00 C ATOM 921 NZ LYS A 61 6.539 3.739 7.664 1.00 0.00 N ATOM 0 H LYS A 61 8.844 6.490 2.329 1.00 0.00 H new ATOM 0 HA LYS A 61 6.664 6.827 2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.521 8.606 5.106 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.040 7.685 4.937 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.025 5.728 4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.705 6.799 5.861 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.557 6.640 7.171 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.935 5.516 5.980 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.245 4.228 6.514 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.113 5.105 8.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.984 3.097 8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.752 4.242 8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.177 3.189 6.859 1.00 0.00 H new ATOM 935 N ASN A 62 7.653 9.254 1.450 1.00 0.00 N ATOM 936 CA ASN A 62 7.368 10.447 0.672 1.00 0.00 C ATOM 937 C ASN A 62 6.024 10.279 -0.039 1.00 0.00 C ATOM 938 O ASN A 62 5.657 9.170 -0.426 1.00 0.00 O ATOM 939 CB ASN A 62 8.441 10.679 -0.394 1.00 0.00 C ATOM 940 CG ASN A 62 9.627 11.455 0.183 1.00 0.00 C ATOM 941 OD1 ASN A 62 10.446 10.931 0.919 1.00 0.00 O ATOM 942 ND2 ASN A 62 9.673 12.730 -0.192 1.00 0.00 N ATOM 0 H ASN A 62 8.471 8.729 1.141 1.00 0.00 H new ATOM 0 HA ASN A 62 7.347 11.297 1.354 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.784 9.721 -0.785 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.014 11.230 -1.232 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.427 13.332 0.139 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.955 13.106 -0.811 1.00 0.00 H new ATOM 949 N GLU A 63 5.326 11.395 -0.191 1.00 0.00 N ATOM 950 CA GLU A 63 4.031 11.384 -0.849 1.00 0.00 C ATOM 951 C GLU A 63 4.197 11.097 -2.342 1.00 0.00 C ATOM 952 O GLU A 63 3.260 10.643 -2.998 1.00 0.00 O ATOM 953 CB GLU A 63 3.291 12.704 -0.623 1.00 0.00 C ATOM 954 CG GLU A 63 1.779 12.480 -0.550 1.00 0.00 C ATOM 955 CD GLU A 63 1.018 13.688 -1.099 1.00 0.00 C ATOM 956 OE1 GLU A 63 1.204 13.977 -2.301 1.00 0.00 O ATOM 957 OE2 GLU A 63 0.267 14.294 -0.306 1.00 0.00 O ATOM 0 H GLU A 63 5.633 12.313 0.130 1.00 0.00 H new ATOM 0 HA GLU A 63 3.429 10.588 -0.411 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.639 13.166 0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.521 13.397 -1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.512 11.589 -1.118 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.484 12.299 0.484 1.00 0.00 H new ATOM 964 N GLU A 64 5.395 11.373 -2.836 1.00 0.00 N ATOM 965 CA GLU A 64 5.695 11.150 -4.240 1.00 0.00 C ATOM 966 C GLU A 64 6.267 9.745 -4.444 1.00 0.00 C ATOM 967 O GLU A 64 6.194 9.195 -5.541 1.00 0.00 O ATOM 968 CB GLU A 64 6.656 12.215 -4.771 1.00 0.00 C ATOM 969 CG GLU A 64 6.444 13.551 -4.055 1.00 0.00 C ATOM 970 CD GLU A 64 7.502 14.573 -4.477 1.00 0.00 C ATOM 971 OE1 GLU A 64 8.675 14.363 -4.100 1.00 0.00 O ATOM 972 OE2 GLU A 64 7.114 15.540 -5.167 1.00 0.00 O ATOM 0 H GLU A 64 6.169 11.749 -2.289 1.00 0.00 H new ATOM 0 HA GLU A 64 4.767 11.230 -4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.685 11.883 -4.632 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.505 12.345 -5.843 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.450 13.936 -4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.488 13.401 -2.976 1.00 0.00 H new ATOM 979 N ASP A 65 6.823 9.206 -3.369 1.00 0.00 N ATOM 980 CA ASP A 65 7.407 7.876 -3.416 1.00 0.00 C ATOM 981 C ASP A 65 6.288 6.833 -3.429 1.00 0.00 C ATOM 982 O ASP A 65 6.543 5.647 -3.634 1.00 0.00 O ATOM 983 CB ASP A 65 8.282 7.615 -2.189 1.00 0.00 C ATOM 984 CG ASP A 65 9.716 8.139 -2.294 1.00 0.00 C ATOM 985 OD1 ASP A 65 9.956 8.956 -3.208 1.00 0.00 O ATOM 986 OD2 ASP A 65 10.540 7.710 -1.457 1.00 0.00 O ATOM 0 H ASP A 65 6.882 9.666 -2.460 1.00 0.00 H new ATOM 0 HA ASP A 65 8.018 7.808 -4.316 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.808 8.070 -1.320 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.316 6.541 -2.008 1.00 0.00 H new ATOM 991 N VAL A 66 5.073 7.312 -3.209 1.00 0.00 N ATOM 992 CA VAL A 66 3.914 6.436 -3.193 1.00 0.00 C ATOM 993 C VAL A 66 3.429 6.213 -4.627 1.00 0.00 C ATOM 994 O VAL A 66 2.581 6.954 -5.121 1.00 0.00 O ATOM 995 CB VAL A 66 2.832 7.015 -2.279 1.00 0.00 C ATOM 996 CG1 VAL A 66 1.819 5.940 -1.880 1.00 0.00 C ATOM 997 CG2 VAL A 66 3.452 7.669 -1.042 1.00 0.00 C ATOM 0 H VAL A 66 4.866 8.296 -3.040 1.00 0.00 H new ATOM 0 HA VAL A 66 4.178 5.461 -2.784 1.00 0.00 H new ATOM 0 HB VAL A 66 2.301 7.787 -2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.061 6.378 -1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.343 5.539 -2.775 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.331 5.137 -1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.662 8.073 -0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.020 6.925 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.116 8.476 -1.351 1.00 0.00 H new ATOM 1007 N SER A 67 3.987 5.189 -5.254 1.00 0.00 N ATOM 1008 CA SER A 67 3.622 4.859 -6.621 1.00 0.00 C ATOM 1009 C SER A 67 2.912 3.504 -6.661 1.00 0.00 C ATOM 1010 O SER A 67 3.391 2.531 -6.081 1.00 0.00 O ATOM 1011 CB SER A 67 4.852 4.841 -7.531 1.00 0.00 C ATOM 1012 OG SER A 67 4.625 4.090 -8.721 1.00 0.00 O ATOM 0 H SER A 67 4.690 4.576 -4.841 1.00 0.00 H new ATOM 0 HA SER A 67 2.943 5.629 -6.989 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.123 5.863 -7.794 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.697 4.416 -6.990 1.00 0.00 H new ATOM 0 HG SER A 67 5.299 3.383 -8.795 1.00 0.00 H new ATOM 1018 N PRO A 68 1.752 3.484 -7.370 1.00 0.00 N ATOM 1019 CA PRO A 68 0.971 2.265 -7.493 1.00 0.00 C ATOM 1020 C PRO A 68 1.627 1.291 -8.474 1.00 0.00 C ATOM 1021 O PRO A 68 1.022 0.291 -8.859 1.00 0.00 O ATOM 1022 CB PRO A 68 -0.406 2.724 -7.944 1.00 0.00 C ATOM 1023 CG PRO A 68 -0.217 4.125 -8.503 1.00 0.00 C ATOM 1024 CD PRO A 68 1.154 4.618 -8.070 1.00 0.00 C ATOM 0 HA PRO A 68 0.905 1.711 -6.556 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.813 2.053 -8.701 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.109 2.728 -7.111 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.294 4.116 -9.590 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.997 4.792 -8.134 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.757 4.916 -8.928 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.074 5.488 -7.418 1.00 0.00 H new ATOM 1032 N SER A 69 2.855 1.616 -8.849 1.00 0.00 N ATOM 1033 CA SER A 69 3.600 0.782 -9.777 1.00 0.00 C ATOM 1034 C SER A 69 5.101 0.909 -9.507 1.00 0.00 C ATOM 1035 O SER A 69 5.585 1.990 -9.174 1.00 0.00 O ATOM 1036 CB SER A 69 3.288 1.157 -11.227 1.00 0.00 C ATOM 1037 OG SER A 69 3.291 0.020 -12.085 1.00 0.00 O ATOM 0 H SER A 69 3.353 2.446 -8.527 1.00 0.00 H new ATOM 0 HA SER A 69 3.297 -0.254 -9.625 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.314 1.644 -11.274 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.023 1.880 -11.581 1.00 0.00 H new ATOM 0 HG SER A 69 3.086 0.301 -13.001 1.00 0.00 H new ATOM 1043 N LEU A 70 5.794 -0.209 -9.660 1.00 0.00 N ATOM 1044 CA LEU A 70 7.230 -0.236 -9.437 1.00 0.00 C ATOM 1045 C LEU A 70 7.951 0.096 -10.744 1.00 0.00 C ATOM 1046 O LEU A 70 9.011 -0.458 -11.031 1.00 0.00 O ATOM 1047 CB LEU A 70 7.652 -1.573 -8.824 1.00 0.00 C ATOM 1048 CG LEU A 70 6.910 -2.809 -9.336 1.00 0.00 C ATOM 1049 CD1 LEU A 70 7.791 -4.056 -9.241 1.00 0.00 C ATOM 1050 CD2 LEU A 70 5.578 -2.991 -8.606 1.00 0.00 C ATOM 0 H LEU A 70 5.388 -1.103 -9.936 1.00 0.00 H new ATOM 0 HA LEU A 70 7.517 0.525 -8.712 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.718 -1.713 -9.005 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.517 -1.514 -7.744 1.00 0.00 H new ATOM 0 HG LEU A 70 6.680 -2.657 -10.391 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.239 -4.920 -9.611 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.689 -3.914 -9.842 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.073 -4.224 -8.202 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.071 -3.877 -8.989 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.762 -3.111 -7.538 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.951 -2.115 -8.770 1.00 0.00 H new ATOM 1062 N GLU A 71 7.348 0.999 -11.503 1.00 0.00 N ATOM 1063 CA GLU A 71 7.919 1.412 -12.774 1.00 0.00 C ATOM 1064 C GLU A 71 9.129 2.320 -12.542 1.00 0.00 C ATOM 1065 O GLU A 71 9.188 3.428 -13.071 1.00 0.00 O ATOM 1066 CB GLU A 71 6.872 2.107 -13.646 1.00 0.00 C ATOM 1067 CG GLU A 71 6.076 1.087 -14.464 1.00 0.00 C ATOM 1068 CD GLU A 71 5.744 1.638 -15.853 1.00 0.00 C ATOM 1069 OE1 GLU A 71 6.708 1.894 -16.607 1.00 0.00 O ATOM 1070 OE2 GLU A 71 4.535 1.790 -16.129 1.00 0.00 O ATOM 0 H GLU A 71 6.469 1.457 -11.262 1.00 0.00 H new ATOM 0 HA GLU A 71 8.254 0.521 -13.306 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.194 2.683 -13.017 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.362 2.813 -14.316 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.650 0.166 -14.562 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.155 0.834 -13.939 1.00 0.00 H new ATOM 1077 N GLY A 72 10.063 1.816 -11.749 1.00 0.00 N ATOM 1078 CA GLY A 72 11.268 2.567 -11.441 1.00 0.00 C ATOM 1079 C GLY A 72 11.937 2.033 -10.172 1.00 0.00 C ATOM 1080 O GLY A 72 13.147 2.172 -9.999 1.00 0.00 O ATOM 0 H GLY A 72 10.010 0.897 -11.310 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.964 2.504 -12.278 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.021 3.621 -11.311 1.00 0.00 H new ATOM 1084 N LEU A 73 11.121 1.434 -9.318 1.00 0.00 N ATOM 1085 CA LEU A 73 11.619 0.879 -8.071 1.00 0.00 C ATOM 1086 C LEU A 73 12.951 0.172 -8.328 1.00 0.00 C ATOM 1087 O LEU A 73 12.988 -0.874 -8.973 1.00 0.00 O ATOM 1088 CB LEU A 73 10.561 -0.018 -7.424 1.00 0.00 C ATOM 1089 CG LEU A 73 10.033 0.442 -6.064 1.00 0.00 C ATOM 1090 CD1 LEU A 73 8.524 0.692 -6.117 1.00 0.00 C ATOM 1091 CD2 LEU A 73 10.411 -0.552 -4.964 1.00 0.00 C ATOM 0 H LEU A 73 10.118 1.321 -9.465 1.00 0.00 H new ATOM 0 HA LEU A 73 11.814 1.674 -7.351 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.717 -0.103 -8.109 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.981 -1.017 -7.309 1.00 0.00 H new ATOM 0 HG LEU A 73 10.508 1.391 -5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.175 1.018 -5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.309 1.465 -6.855 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.012 -0.229 -6.397 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.024 -0.201 -4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.983 -1.528 -5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.496 -0.636 -4.907 1.00 0.00 H new ATOM 1103 N THR A 74 14.012 0.773 -7.810 1.00 0.00 N ATOM 1104 CA THR A 74 15.343 0.214 -7.976 1.00 0.00 C ATOM 1105 C THR A 74 15.546 -0.970 -7.028 1.00 0.00 C ATOM 1106 O THR A 74 14.600 -1.427 -6.388 1.00 0.00 O ATOM 1107 CB THR A 74 16.358 1.339 -7.768 1.00 0.00 C ATOM 1108 OG1 THR A 74 16.294 1.611 -6.370 1.00 0.00 O ATOM 1109 CG2 THR A 74 15.921 2.651 -8.423 1.00 0.00 C ATOM 0 H THR A 74 13.977 1.641 -7.275 1.00 0.00 H new ATOM 0 HA THR A 74 15.481 -0.186 -8.980 1.00 0.00 H new ATOM 0 HB THR A 74 17.324 1.035 -8.173 1.00 0.00 H new ATOM 0 HG1 THR A 74 16.552 2.542 -6.206 1.00 0.00 H new ATOM 0 HG21 THR A 74 16.677 3.416 -8.245 1.00 0.00 H new ATOM 0 HG22 THR A 74 15.803 2.500 -9.496 1.00 0.00 H new ATOM 0 HG23 THR A 74 14.972 2.973 -7.995 1.00 0.00 H new ATOM 1117 N GLU A 75 16.786 -1.434 -6.968 1.00 0.00 N ATOM 1118 CA GLU A 75 17.125 -2.556 -6.110 1.00 0.00 C ATOM 1119 C GLU A 75 17.037 -2.144 -4.639 1.00 0.00 C ATOM 1120 O GLU A 75 16.542 -2.903 -3.807 1.00 0.00 O ATOM 1121 CB GLU A 75 18.515 -3.102 -6.444 1.00 0.00 C ATOM 1122 CG GLU A 75 18.420 -4.486 -7.088 1.00 0.00 C ATOM 1123 CD GLU A 75 19.475 -5.433 -6.512 1.00 0.00 C ATOM 1124 OE1 GLU A 75 20.569 -4.928 -6.179 1.00 0.00 O ATOM 1125 OE2 GLU A 75 19.164 -6.639 -6.417 1.00 0.00 O ATOM 0 H GLU A 75 17.568 -1.053 -7.500 1.00 0.00 H new ATOM 0 HA GLU A 75 16.405 -3.355 -6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 75 19.026 -2.417 -7.120 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.115 -3.160 -5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.425 -4.900 -6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.554 -4.399 -8.166 1.00 0.00 H new ATOM 1132 N LYS A 76 17.524 -0.943 -4.363 1.00 0.00 N ATOM 1133 CA LYS A 76 17.507 -0.421 -3.007 1.00 0.00 C ATOM 1134 C LYS A 76 16.084 -0.506 -2.452 1.00 0.00 C ATOM 1135 O LYS A 76 15.868 -1.042 -1.366 1.00 0.00 O ATOM 1136 CB LYS A 76 18.100 0.988 -2.968 1.00 0.00 C ATOM 1137 CG LYS A 76 17.013 2.046 -3.172 1.00 0.00 C ATOM 1138 CD LYS A 76 17.555 3.449 -2.890 1.00 0.00 C ATOM 1139 CE LYS A 76 18.142 4.075 -4.157 1.00 0.00 C ATOM 1140 NZ LYS A 76 18.719 5.405 -3.858 1.00 0.00 N ATOM 0 H LYS A 76 17.933 -0.316 -5.056 1.00 0.00 H new ATOM 0 HA LYS A 76 18.140 -1.025 -2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.596 1.151 -2.011 1.00 0.00 H new ATOM 0 HB3 LYS A 76 18.860 1.088 -3.743 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.638 1.995 -4.194 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.170 1.838 -2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 76 16.755 4.081 -2.505 1.00 0.00 H new ATOM 0 HD3 LYS A 76 18.321 3.398 -2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.912 3.422 -4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.365 4.171 -4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.113 5.816 -4.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.976 6.030 -3.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.474 5.305 -3.150 1.00 0.00 H new ATOM 1154 N GLU A 77 15.149 0.033 -3.221 1.00 0.00 N ATOM 1155 CA GLU A 77 13.753 0.025 -2.819 1.00 0.00 C ATOM 1156 C GLU A 77 13.157 -1.373 -2.997 1.00 0.00 C ATOM 1157 O GLU A 77 12.398 -1.841 -2.149 1.00 0.00 O ATOM 1158 CB GLU A 77 12.951 1.067 -3.603 1.00 0.00 C ATOM 1159 CG GLU A 77 13.446 1.167 -5.047 1.00 0.00 C ATOM 1160 CD GLU A 77 14.213 2.472 -5.274 1.00 0.00 C ATOM 1161 OE1 GLU A 77 14.726 3.011 -4.270 1.00 0.00 O ATOM 1162 OE2 GLU A 77 14.268 2.900 -6.447 1.00 0.00 O ATOM 0 H GLU A 77 15.331 0.478 -4.120 1.00 0.00 H new ATOM 0 HA GLU A 77 13.698 0.290 -1.763 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.894 0.799 -3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.038 2.039 -3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.091 0.318 -5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.598 1.115 -5.730 1.00 0.00 H new ATOM 1169 N ILE A 78 13.522 -2.001 -4.105 1.00 0.00 N ATOM 1170 CA ILE A 78 13.033 -3.336 -4.405 1.00 0.00 C ATOM 1171 C ILE A 78 13.372 -4.271 -3.243 1.00 0.00 C ATOM 1172 O ILE A 78 12.510 -5.001 -2.756 1.00 0.00 O ATOM 1173 CB ILE A 78 13.571 -3.813 -5.755 1.00 0.00 C ATOM 1174 CG1 ILE A 78 12.785 -3.189 -6.910 1.00 0.00 C ATOM 1175 CG2 ILE A 78 13.586 -5.341 -5.831 1.00 0.00 C ATOM 1176 CD1 ILE A 78 11.923 -4.237 -7.616 1.00 0.00 C ATOM 0 H ILE A 78 14.151 -1.610 -4.806 1.00 0.00 H new ATOM 0 HA ILE A 78 11.948 -3.331 -4.505 1.00 0.00 H new ATOM 0 HB ILE A 78 14.603 -3.476 -5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.151 -2.387 -6.532 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.476 -2.740 -7.624 1.00 0.00 H new ATOM 0 HG21 ILE A 78 13.973 -5.653 -6.801 1.00 0.00 H new ATOM 0 HG22 ILE A 78 14.223 -5.738 -5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.572 -5.722 -5.705 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.375 -3.767 -8.433 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.562 -5.025 -8.014 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.217 -4.666 -6.905 1.00 0.00 H new ATOM 1188 N ASN A 79 14.631 -4.220 -2.831 1.00 0.00 N ATOM 1189 CA ASN A 79 15.094 -5.053 -1.735 1.00 0.00 C ATOM 1190 C ASN A 79 14.158 -4.881 -0.537 1.00 0.00 C ATOM 1191 O ASN A 79 13.693 -5.863 0.039 1.00 0.00 O ATOM 1192 CB ASN A 79 16.503 -4.652 -1.295 1.00 0.00 C ATOM 1193 CG ASN A 79 17.559 -5.530 -1.969 1.00 0.00 C ATOM 1194 OD1 ASN A 79 17.473 -6.746 -1.987 1.00 0.00 O ATOM 1195 ND2 ASN A 79 18.558 -4.847 -2.522 1.00 0.00 N ATOM 0 H ASN A 79 15.344 -3.614 -3.237 1.00 0.00 H new ATOM 0 HA ASN A 79 15.104 -6.087 -2.080 1.00 0.00 H new ATOM 0 HB2 ASN A 79 16.682 -3.606 -1.544 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.589 -4.741 -0.212 1.00 0.00 H new ATOM 0 HD21 ASN A 79 19.313 -5.342 -2.997 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.569 -3.828 -2.471 1.00 0.00 H new ATOM 1202 N THR A 80 13.910 -3.624 -0.197 1.00 0.00 N ATOM 1203 CA THR A 80 13.037 -3.310 0.922 1.00 0.00 C ATOM 1204 C THR A 80 11.570 -3.436 0.506 1.00 0.00 C ATOM 1205 O THR A 80 10.770 -4.042 1.217 1.00 0.00 O ATOM 1206 CB THR A 80 13.407 -1.916 1.433 1.00 0.00 C ATOM 1207 OG1 THR A 80 14.749 -2.058 1.889 1.00 0.00 O ATOM 1208 CG2 THR A 80 12.625 -1.527 2.689 1.00 0.00 C ATOM 0 H THR A 80 14.298 -2.812 -0.676 1.00 0.00 H new ATOM 0 HA THR A 80 13.172 -4.018 1.740 1.00 0.00 H new ATOM 0 HB THR A 80 13.223 -1.181 0.649 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.069 -1.199 2.236 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.925 -0.530 3.010 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.557 -1.531 2.469 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.834 -2.243 3.484 1.00 0.00 H new ATOM 1216 N LEU A 81 11.262 -2.854 -0.644 1.00 0.00 N ATOM 1217 CA LEU A 81 9.906 -2.894 -1.163 1.00 0.00 C ATOM 1218 C LEU A 81 9.469 -4.351 -1.326 1.00 0.00 C ATOM 1219 O LEU A 81 8.453 -4.765 -0.769 1.00 0.00 O ATOM 1220 CB LEU A 81 9.800 -2.072 -2.449 1.00 0.00 C ATOM 1221 CG LEU A 81 8.531 -2.284 -3.278 1.00 0.00 C ATOM 1222 CD1 LEU A 81 8.635 -3.555 -4.123 1.00 0.00 C ATOM 1223 CD2 LEU A 81 7.288 -2.288 -2.386 1.00 0.00 C ATOM 0 H LEU A 81 11.929 -2.352 -1.231 1.00 0.00 H new ATOM 0 HA LEU A 81 9.215 -2.431 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.868 -1.016 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.662 -2.301 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 81 8.429 -1.446 -3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.721 -3.683 -4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.485 -3.473 -4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.773 -4.416 -3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.400 -2.440 -3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.367 -3.093 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.210 -1.333 -1.866 1.00 0.00 H new ATOM 1235 N ASN A 82 10.258 -5.089 -2.093 1.00 0.00 N ATOM 1236 CA ASN A 82 9.966 -6.492 -2.337 1.00 0.00 C ATOM 1237 C ASN A 82 9.749 -7.203 -1.000 1.00 0.00 C ATOM 1238 O ASN A 82 8.830 -8.008 -0.863 1.00 0.00 O ATOM 1239 CB ASN A 82 11.128 -7.180 -3.056 1.00 0.00 C ATOM 1240 CG ASN A 82 10.649 -8.423 -3.807 1.00 0.00 C ATOM 1241 OD1 ASN A 82 10.206 -9.400 -3.225 1.00 0.00 O ATOM 1242 ND2 ASN A 82 10.761 -8.333 -5.129 1.00 0.00 N ATOM 0 H ASN A 82 11.099 -4.742 -2.554 1.00 0.00 H new ATOM 0 HA ASN A 82 9.074 -6.547 -2.960 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.591 -6.484 -3.756 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.893 -7.460 -2.332 1.00 0.00 H new ATOM 0 HD21 ASN A 82 10.467 -9.111 -5.720 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.140 -7.486 -5.552 1.00 0.00 H new ATOM 1249 N ASP A 83 10.612 -6.880 -0.047 1.00 0.00 N ATOM 1250 CA ASP A 83 10.527 -7.478 1.274 1.00 0.00 C ATOM 1251 C ASP A 83 9.333 -6.881 2.023 1.00 0.00 C ATOM 1252 O ASP A 83 8.709 -7.556 2.840 1.00 0.00 O ATOM 1253 CB ASP A 83 11.788 -7.192 2.091 1.00 0.00 C ATOM 1254 CG ASP A 83 12.770 -8.361 2.195 1.00 0.00 C ATOM 1255 OD1 ASP A 83 12.284 -9.492 2.411 1.00 0.00 O ATOM 1256 OD2 ASP A 83 13.984 -8.097 2.056 1.00 0.00 O ATOM 0 H ASP A 83 11.373 -6.212 -0.164 1.00 0.00 H new ATOM 0 HA ASP A 83 10.415 -8.555 1.150 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.305 -6.341 1.647 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.491 -6.896 3.097 1.00 0.00 H new ATOM 1261 N TRP A 84 9.053 -5.623 1.718 1.00 0.00 N ATOM 1262 CA TRP A 84 7.946 -4.928 2.352 1.00 0.00 C ATOM 1263 C TRP A 84 6.660 -5.690 2.027 1.00 0.00 C ATOM 1264 O TRP A 84 5.734 -5.728 2.836 1.00 0.00 O ATOM 1265 CB TRP A 84 7.898 -3.462 1.917 1.00 0.00 C ATOM 1266 CG TRP A 84 8.565 -2.498 2.901 1.00 0.00 C ATOM 1267 CD1 TRP A 84 9.564 -1.637 2.664 1.00 0.00 C ATOM 1268 CD2 TRP A 84 8.237 -2.332 4.297 1.00 0.00 C ATOM 1269 NE1 TRP A 84 9.903 -0.931 3.800 1.00 0.00 N ATOM 1270 CE2 TRP A 84 9.071 -1.367 4.825 1.00 0.00 C ATOM 1271 CE3 TRP A 84 7.269 -2.975 5.087 1.00 0.00 C ATOM 1272 CZ2 TRP A 84 9.020 -0.959 6.163 1.00 0.00 C ATOM 1273 CZ3 TRP A 84 7.231 -2.556 6.423 1.00 0.00 C ATOM 1274 CH2 TRP A 84 8.063 -1.586 6.969 1.00 0.00 C ATOM 0 H TRP A 84 9.574 -5.067 1.040 1.00 0.00 H new ATOM 0 HA TRP A 84 8.074 -4.907 3.434 1.00 0.00 H new ATOM 0 HB2 TRP A 84 8.383 -3.366 0.945 1.00 0.00 H new ATOM 0 HB3 TRP A 84 6.857 -3.167 1.784 1.00 0.00 H new ATOM 0 HD1 TRP A 84 10.044 -1.511 1.704 1.00 0.00 H new ATOM 0 HE1 TRP A 84 10.630 -0.220 3.874 1.00 0.00 H new ATOM 0 HE3 TRP A 84 6.607 -3.733 4.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 9.684 -0.201 6.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 6.504 -3.019 7.074 1.00 0.00 H new ATOM 0 HH2 TRP A 84 7.971 -1.317 8.011 1.00 0.00 H new ATOM 1285 N GLU A 85 6.644 -6.280 0.840 1.00 0.00 N ATOM 1286 CA GLU A 85 5.487 -7.039 0.398 1.00 0.00 C ATOM 1287 C GLU A 85 5.245 -8.229 1.329 1.00 0.00 C ATOM 1288 O GLU A 85 4.114 -8.475 1.747 1.00 0.00 O ATOM 1289 CB GLU A 85 5.656 -7.503 -1.051 1.00 0.00 C ATOM 1290 CG GLU A 85 4.952 -8.841 -1.284 1.00 0.00 C ATOM 1291 CD GLU A 85 5.898 -10.013 -1.014 1.00 0.00 C ATOM 1292 OE1 GLU A 85 7.083 -9.884 -1.389 1.00 0.00 O ATOM 1293 OE2 GLU A 85 5.414 -11.011 -0.438 1.00 0.00 O ATOM 0 H GLU A 85 7.414 -6.247 0.172 1.00 0.00 H new ATOM 0 HA GLU A 85 4.614 -6.388 0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.249 -6.751 -1.727 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.716 -7.600 -1.284 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.080 -8.915 -0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.589 -8.891 -2.311 1.00 0.00 H new ATOM 1300 N THR A 86 6.325 -8.935 1.628 1.00 0.00 N ATOM 1301 CA THR A 86 6.245 -10.093 2.502 1.00 0.00 C ATOM 1302 C THR A 86 5.821 -9.669 3.910 1.00 0.00 C ATOM 1303 O THR A 86 5.077 -10.384 4.580 1.00 0.00 O ATOM 1304 CB THR A 86 7.596 -10.809 2.464 1.00 0.00 C ATOM 1305 OG1 THR A 86 7.453 -11.764 1.417 1.00 0.00 O ATOM 1306 CG2 THR A 86 7.844 -11.659 3.712 1.00 0.00 C ATOM 0 H THR A 86 7.261 -8.727 1.280 1.00 0.00 H new ATOM 0 HA THR A 86 5.481 -10.793 2.163 1.00 0.00 H new ATOM 0 HB THR A 86 8.394 -10.073 2.362 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.666 -11.542 0.877 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.816 -12.145 3.634 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.827 -11.021 4.596 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.065 -12.417 3.797 1.00 0.00 H new ATOM 1314 N LYS A 87 6.312 -8.508 4.317 1.00 0.00 N ATOM 1315 CA LYS A 87 5.994 -7.981 5.633 1.00 0.00 C ATOM 1316 C LYS A 87 4.503 -7.644 5.695 1.00 0.00 C ATOM 1317 O LYS A 87 3.822 -7.998 6.657 1.00 0.00 O ATOM 1318 CB LYS A 87 6.906 -6.800 5.972 1.00 0.00 C ATOM 1319 CG LYS A 87 8.380 -7.193 5.850 1.00 0.00 C ATOM 1320 CD LYS A 87 9.268 -5.955 5.712 1.00 0.00 C ATOM 1321 CE LYS A 87 10.393 -5.969 6.748 1.00 0.00 C ATOM 1322 NZ LYS A 87 9.839 -5.857 8.116 1.00 0.00 N ATOM 0 H LYS A 87 6.928 -7.917 3.758 1.00 0.00 H new ATOM 0 HA LYS A 87 6.184 -8.731 6.400 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.692 -5.967 5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.700 -6.456 6.986 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.681 -7.765 6.728 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.517 -7.841 4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.693 -5.918 4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.665 -5.055 5.836 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.968 -6.890 6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.080 -5.144 6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.563 -5.467 8.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.012 -5.227 8.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.552 -6.798 8.453 1.00 0.00 H new ATOM 1336 N PHE A 88 4.039 -6.962 4.658 1.00 0.00 N ATOM 1337 CA PHE A 88 2.641 -6.573 4.583 1.00 0.00 C ATOM 1338 C PHE A 88 1.770 -7.745 4.125 1.00 0.00 C ATOM 1339 O PHE A 88 0.644 -7.906 4.595 1.00 0.00 O ATOM 1340 CB PHE A 88 2.545 -5.448 3.551 1.00 0.00 C ATOM 1341 CG PHE A 88 2.478 -4.047 4.162 1.00 0.00 C ATOM 1342 CD1 PHE A 88 3.342 -3.695 5.151 1.00 0.00 C ATOM 1343 CD2 PHE A 88 1.554 -3.154 3.716 1.00 0.00 C ATOM 1344 CE1 PHE A 88 3.279 -2.394 5.719 1.00 0.00 C ATOM 1345 CE2 PHE A 88 1.491 -1.854 4.283 1.00 0.00 C ATOM 1346 CZ PHE A 88 2.356 -1.501 5.273 1.00 0.00 C ATOM 0 H PHE A 88 4.607 -6.669 3.863 1.00 0.00 H new ATOM 0 HA PHE A 88 2.290 -6.256 5.565 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.408 -5.503 2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.659 -5.608 2.936 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.076 -4.404 5.505 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.868 -3.434 2.930 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.965 -2.114 6.505 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.757 -1.145 3.929 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.309 -0.512 5.704 1.00 0.00 H new ATOM 1356 N GLU A 89 2.323 -8.532 3.215 1.00 0.00 N ATOM 1357 CA GLU A 89 1.611 -9.684 2.689 1.00 0.00 C ATOM 1358 C GLU A 89 1.482 -10.765 3.764 1.00 0.00 C ATOM 1359 O GLU A 89 0.451 -11.429 3.861 1.00 0.00 O ATOM 1360 CB GLU A 89 2.302 -10.233 1.440 1.00 0.00 C ATOM 1361 CG GLU A 89 1.594 -11.489 0.928 1.00 0.00 C ATOM 1362 CD GLU A 89 0.305 -11.128 0.187 1.00 0.00 C ATOM 1363 OE1 GLU A 89 0.427 -10.603 -0.941 1.00 0.00 O ATOM 1364 OE2 GLU A 89 -0.773 -11.384 0.766 1.00 0.00 O ATOM 0 H GLU A 89 3.257 -8.395 2.828 1.00 0.00 H new ATOM 0 HA GLU A 89 0.610 -9.366 2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.309 -9.472 0.660 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.342 -10.465 1.668 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.259 -12.040 0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.364 -12.148 1.765 1.00 0.00 H new ATOM 1371 N ALA A 90 2.543 -10.907 4.545 1.00 0.00 N ATOM 1372 CA ALA A 90 2.561 -11.896 5.609 1.00 0.00 C ATOM 1373 C ALA A 90 2.061 -11.254 6.905 1.00 0.00 C ATOM 1374 O ALA A 90 2.494 -11.627 7.994 1.00 0.00 O ATOM 1375 CB ALA A 90 3.973 -12.469 5.750 1.00 0.00 C ATOM 0 H ALA A 90 3.396 -10.354 4.462 1.00 0.00 H new ATOM 0 HA ALA A 90 1.894 -12.725 5.373 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.987 -13.211 6.548 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.270 -12.939 4.813 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.669 -11.666 5.990 1.00 0.00 H new ATOM 1381 N LYS A 91 1.155 -10.300 6.744 1.00 0.00 N ATOM 1382 CA LYS A 91 0.591 -9.603 7.887 1.00 0.00 C ATOM 1383 C LYS A 91 -0.800 -9.079 7.524 1.00 0.00 C ATOM 1384 O LYS A 91 -1.789 -9.447 8.154 1.00 0.00 O ATOM 1385 CB LYS A 91 1.549 -8.515 8.377 1.00 0.00 C ATOM 1386 CG LYS A 91 2.755 -9.128 9.093 1.00 0.00 C ATOM 1387 CD LYS A 91 3.297 -8.179 10.164 1.00 0.00 C ATOM 1388 CE LYS A 91 4.660 -8.651 10.675 1.00 0.00 C ATOM 1389 NZ LYS A 91 4.932 -8.091 12.018 1.00 0.00 N ATOM 0 H LYS A 91 0.798 -9.994 5.839 1.00 0.00 H new ATOM 0 HA LYS A 91 0.466 -10.287 8.726 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.889 -7.917 7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.024 -7.841 9.054 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.468 -10.074 9.552 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.538 -9.350 8.368 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.387 -7.174 9.752 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.593 -8.122 10.994 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.682 -9.740 10.717 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.442 -8.343 9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.861 -8.421 12.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.931 -7.052 11.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.195 -8.406 12.681 1.00 0.00 H new ATOM 1403 N TYR A 92 -0.830 -8.228 6.509 1.00 0.00 N ATOM 1404 CA TYR A 92 -2.083 -7.649 6.054 1.00 0.00 C ATOM 1405 C TYR A 92 -2.764 -8.555 5.026 1.00 0.00 C ATOM 1406 O TYR A 92 -2.104 -9.111 4.150 1.00 0.00 O ATOM 1407 CB TYR A 92 -1.718 -6.323 5.385 1.00 0.00 C ATOM 1408 CG TYR A 92 -1.265 -5.237 6.363 1.00 0.00 C ATOM 1409 CD1 TYR A 92 -1.932 -5.063 7.558 1.00 0.00 C ATOM 1410 CD2 TYR A 92 -0.189 -4.431 6.050 1.00 0.00 C ATOM 1411 CE1 TYR A 92 -1.506 -4.040 8.479 1.00 0.00 C ATOM 1412 CE2 TYR A 92 0.238 -3.409 6.970 1.00 0.00 C ATOM 1413 CZ TYR A 92 -0.442 -3.264 8.139 1.00 0.00 C ATOM 1414 OH TYR A 92 -0.040 -2.299 9.008 1.00 0.00 O ATOM 0 H TYR A 92 -0.007 -7.925 5.989 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.771 -7.519 6.889 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.923 -6.500 4.661 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.581 -5.959 4.828 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.774 -5.694 7.803 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.333 -4.567 5.114 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.020 -3.893 9.418 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.079 -2.772 6.737 1.00 0.00 H new ATOM 0 HH TYR A 92 0.731 -1.823 8.635 1.00 0.00 H new ATOM 1424 N PRO A 93 -4.110 -8.679 5.171 1.00 0.00 N ATOM 1425 CA PRO A 93 -4.888 -9.507 4.265 1.00 0.00 C ATOM 1426 C PRO A 93 -5.062 -8.822 2.908 1.00 0.00 C ATOM 1427 O PRO A 93 -5.281 -7.613 2.843 1.00 0.00 O ATOM 1428 CB PRO A 93 -6.206 -9.746 4.984 1.00 0.00 C ATOM 1429 CG PRO A 93 -6.300 -8.668 6.051 1.00 0.00 C ATOM 1430 CD PRO A 93 -4.926 -8.036 6.197 1.00 0.00 C ATOM 0 HA PRO A 93 -4.398 -10.453 4.035 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.045 -9.684 4.291 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.233 -10.740 5.430 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.038 -7.916 5.770 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.626 -9.096 6.999 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.969 -6.957 6.050 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.516 -8.206 7.193 1.00 0.00 H new ATOM 1438 N VAL A 94 -4.959 -9.624 1.859 1.00 0.00 N ATOM 1439 CA VAL A 94 -5.102 -9.110 0.507 1.00 0.00 C ATOM 1440 C VAL A 94 -6.558 -9.260 0.061 1.00 0.00 C ATOM 1441 O VAL A 94 -7.027 -10.372 -0.176 1.00 0.00 O ATOM 1442 CB VAL A 94 -4.115 -9.813 -0.427 1.00 0.00 C ATOM 1443 CG1 VAL A 94 -4.363 -9.417 -1.884 1.00 0.00 C ATOM 1444 CG2 VAL A 94 -2.670 -9.521 -0.018 1.00 0.00 C ATOM 0 H VAL A 94 -4.778 -10.626 1.917 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.859 -8.048 0.474 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.277 -10.887 -0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.648 -9.930 -2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.376 -9.699 -2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.241 -8.339 -1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.989 -10.033 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.489 -8.447 -0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.501 -9.875 0.999 1.00 0.00 H new ATOM 1454 N VAL A 95 -7.232 -8.124 -0.040 1.00 0.00 N ATOM 1455 CA VAL A 95 -8.625 -8.115 -0.453 1.00 0.00 C ATOM 1456 C VAL A 95 -8.699 -8.004 -1.978 1.00 0.00 C ATOM 1457 O VAL A 95 -9.766 -8.181 -2.565 1.00 0.00 O ATOM 1458 CB VAL A 95 -9.377 -6.992 0.265 1.00 0.00 C ATOM 1459 CG1 VAL A 95 -9.278 -7.150 1.783 1.00 0.00 C ATOM 1460 CG2 VAL A 95 -8.866 -5.620 -0.178 1.00 0.00 C ATOM 0 H VAL A 95 -6.839 -7.203 0.157 1.00 0.00 H new ATOM 0 HA VAL A 95 -9.113 -9.047 -0.170 1.00 0.00 H new ATOM 0 HB VAL A 95 -10.429 -7.063 -0.011 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.821 -6.339 2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.712 -8.105 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.231 -7.118 2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -9.417 -4.840 0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.805 -5.534 0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -9.012 -5.507 -1.252 1.00 0.00 H new ATOM 1470 N GLY A 96 -7.553 -7.713 -2.574 1.00 0.00 N ATOM 1471 CA GLY A 96 -7.475 -7.576 -4.019 1.00 0.00 C ATOM 1472 C GLY A 96 -6.111 -7.030 -4.445 1.00 0.00 C ATOM 1473 O GLY A 96 -5.269 -6.725 -3.602 1.00 0.00 O ATOM 0 H GLY A 96 -6.671 -7.568 -2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.646 -8.544 -4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.263 -6.908 -4.368 1.00 0.00 H new ATOM 1477 N ARG A 97 -5.935 -6.922 -5.754 1.00 0.00 N ATOM 1478 CA ARG A 97 -4.687 -6.418 -6.302 1.00 0.00 C ATOM 1479 C ARG A 97 -4.952 -5.199 -7.189 1.00 0.00 C ATOM 1480 O ARG A 97 -5.816 -5.239 -8.063 1.00 0.00 O ATOM 1481 CB ARG A 97 -3.972 -7.492 -7.124 1.00 0.00 C ATOM 1482 CG ARG A 97 -4.297 -7.351 -8.612 1.00 0.00 C ATOM 1483 CD ARG A 97 -5.754 -7.724 -8.893 1.00 0.00 C ATOM 1484 NE ARG A 97 -5.821 -8.708 -9.997 1.00 0.00 N ATOM 1485 CZ ARG A 97 -5.475 -9.996 -9.876 1.00 0.00 C ATOM 1486 NH1 ARG A 97 -5.035 -10.465 -8.701 1.00 0.00 N ATOM 1487 NH2 ARG A 97 -5.568 -10.817 -10.932 1.00 0.00 N ATOM 0 H ARG A 97 -6.636 -7.175 -6.451 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.049 -6.133 -5.466 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.895 -7.413 -6.974 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.270 -8.481 -6.775 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.112 -6.326 -8.933 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -3.635 -7.992 -9.195 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.211 -8.141 -7.995 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.322 -6.832 -9.155 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.151 -8.385 -10.906 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.963 -9.841 -7.897 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -4.772 -11.446 -8.610 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.902 -10.460 -11.827 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -5.304 -11.798 -10.840 1.00 0.00 H new ATOM 1501 N VAL A 98 -4.191 -4.145 -6.933 1.00 0.00 N ATOM 1502 CA VAL A 98 -4.332 -2.917 -7.697 1.00 0.00 C ATOM 1503 C VAL A 98 -4.287 -3.243 -9.191 1.00 0.00 C ATOM 1504 O VAL A 98 -3.427 -4.000 -9.639 1.00 0.00 O ATOM 1505 CB VAL A 98 -3.261 -1.910 -7.272 1.00 0.00 C ATOM 1506 CG1 VAL A 98 -3.162 -0.759 -8.274 1.00 0.00 C ATOM 1507 CG2 VAL A 98 -3.532 -1.386 -5.860 1.00 0.00 C ATOM 0 H VAL A 98 -3.475 -4.116 -6.207 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.296 -2.450 -7.495 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.301 -2.426 -7.260 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.394 -0.058 -7.948 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.901 -1.153 -9.256 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.121 -0.244 -8.333 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.757 -0.672 -5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.504 -0.894 -5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.528 -2.218 -5.156 1.00 0.00 H new ATOM 1517 N VAL A 99 -5.223 -2.655 -9.921 1.00 0.00 N ATOM 1518 CA VAL A 99 -5.301 -2.874 -11.355 1.00 0.00 C ATOM 1519 C VAL A 99 -5.190 -1.530 -12.078 1.00 0.00 C ATOM 1520 O VAL A 99 -4.107 -1.142 -12.514 1.00 0.00 O ATOM 1521 CB VAL A 99 -6.583 -3.634 -11.700 1.00 0.00 C ATOM 1522 CG1 VAL A 99 -6.301 -5.127 -11.887 1.00 0.00 C ATOM 1523 CG2 VAL A 99 -7.658 -3.408 -10.636 1.00 0.00 C ATOM 0 H VAL A 99 -5.934 -2.027 -9.546 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.471 -3.495 -11.692 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.961 -3.243 -12.645 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.229 -5.645 -12.131 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.585 -5.263 -12.697 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.888 -5.538 -10.965 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.559 -3.959 -10.906 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.294 -3.759 -9.670 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.889 -2.345 -10.572 1.00 0.00 H new ATOM 1533 N SER A 100 -6.326 -0.855 -12.183 1.00 0.00 N ATOM 1534 CA SER A 100 -6.370 0.437 -12.846 1.00 0.00 C ATOM 1535 C SER A 100 -5.795 1.517 -11.927 1.00 0.00 C ATOM 1536 O SER A 100 -5.951 2.708 -12.189 1.00 0.00 O ATOM 1537 CB SER A 100 -7.799 0.796 -13.258 1.00 0.00 C ATOM 1538 OG SER A 100 -7.891 1.121 -14.642 1.00 0.00 O ATOM 0 H SER A 100 -7.222 -1.179 -11.820 1.00 0.00 H new ATOM 0 HA SER A 100 -5.764 0.378 -13.750 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.461 -0.042 -13.038 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.146 1.641 -12.664 1.00 0.00 H new ATOM 0 HG SER A 100 -8.819 1.342 -14.865 1.00 0.00 H new TER 1544 SER A 100