USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 885 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 TYR OH : rot 60:sc= -5.01! USER MOD Set 1.2: A 91 GLN : amide:sc= -6.59! C(o=-12!,f=-10!) USER MOD Set 2.1: A 59 HIS : no HE2:sc= -11.2! C(o=-20!,f=-32!) USER MOD Set 2.2: A 92 HIS : no HD1:sc= -8.46! C(o=-20!,f=-25!) USER MOD Set 3.1: A 51 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.11) USER MOD Set 3.2: A 53 ASN : amide:sc= 0 X(o=-0.23,f=-0.11) USER MOD Set 4.1: A 10 LYS NZ :NH3+ -146:sc= 0.336 (180deg=-0.573) USER MOD Set 4.2: A 15 GLN : amide:sc= -5.9! C(o=-5.6!,f=-9.2!) USER MOD Single : A 7 LYS NZ :NH3+ -149:sc=-0.000173 (180deg=-0.104) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.079 USER MOD Single : A 30 ASN : amide:sc= -0.642 K(o=-0.64,f=-1.7!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -170:sc= -1.42 USER MOD Single : A 41 TYR OH : rot 30:sc= -0.672 USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0551) USER MOD Single : A 46 THR OG1 : rot -98:sc= -2.19 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -1.76! C(o=-1.8!,f=-7.9!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.589 USER MOD Single : A 64 ASN : amide:sc= -0.24 K(o=-0.24,f=-5.2!) USER MOD Single : A 66 CYS SG : rot -21:sc= -4.35! USER MOD Single : A 67 SER OG : rot 180:sc= 0.0298 USER MOD Single : A 68 GLN : amide:sc= -4.52! C(o=-4.5!,f=-1.4!) USER MOD Single : A 71 SER OG : rot 160:sc= -1.08 USER MOD Single : A 78 THR OG1 : rot 71:sc= 0.0932 USER MOD Single : A 80 GLN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -5.16! C(o=-5.2!,f=-12!) USER MOD Single : A 96 GLN : amide:sc= -0.495 X(o=-0.49,f=-0.22) USER MOD Single : A 100 SER OG : rot 180:sc= -0.0316 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.282) USER MOD Single : A 113 TYR OH : rot -170:sc= -0.0256 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 102.240 -5.928 13.174 1.00 0.00 N ATOM 36 CA PRO A 3 102.434 -6.465 11.796 1.00 0.00 C ATOM 37 C PRO A 3 102.084 -7.953 11.706 1.00 0.00 C ATOM 38 O PRO A 3 102.951 -8.801 11.624 1.00 0.00 O ATOM 39 CB PRO A 3 103.924 -6.246 11.526 1.00 0.00 C ATOM 40 CG PRO A 3 104.569 -6.196 12.871 1.00 0.00 C ATOM 41 CD PRO A 3 103.520 -5.661 13.846 1.00 0.00 C ATOM 0 HA PRO A 3 101.786 -5.972 11.071 1.00 0.00 H new ATOM 0 HB2 PRO A 3 104.337 -7.055 10.923 1.00 0.00 H new ATOM 0 HB3 PRO A 3 104.091 -5.320 10.976 1.00 0.00 H new ATOM 0 HG2 PRO A 3 104.908 -7.187 13.174 1.00 0.00 H new ATOM 0 HG3 PRO A 3 105.447 -5.550 12.855 1.00 0.00 H new ATOM 0 HD2 PRO A 3 103.577 -6.166 14.810 1.00 0.00 H new ATOM 0 HD3 PRO A 3 103.657 -4.596 14.035 1.00 0.00 H new ATOM 49 N GLU A 4 100.820 -8.278 11.723 1.00 0.00 N ATOM 50 CA GLU A 4 100.414 -9.709 11.644 1.00 0.00 C ATOM 51 C GLU A 4 100.396 -10.161 10.181 1.00 0.00 C ATOM 52 O GLU A 4 100.658 -11.306 9.873 1.00 0.00 O ATOM 53 CB GLU A 4 99.017 -9.877 12.253 1.00 0.00 C ATOM 54 CG GLU A 4 99.133 -10.486 13.652 1.00 0.00 C ATOM 55 CD GLU A 4 97.733 -10.748 14.212 1.00 0.00 C ATOM 56 OE1 GLU A 4 96.887 -11.195 13.455 1.00 0.00 O ATOM 57 OE2 GLU A 4 97.532 -10.497 15.389 1.00 0.00 O ATOM 0 H GLU A 4 100.050 -7.612 11.788 1.00 0.00 H new ATOM 0 HA GLU A 4 101.127 -10.319 12.198 1.00 0.00 H new ATOM 0 HB2 GLU A 4 98.515 -8.911 12.307 1.00 0.00 H new ATOM 0 HB3 GLU A 4 98.407 -10.518 11.616 1.00 0.00 H new ATOM 0 HG2 GLU A 4 99.699 -11.416 13.609 1.00 0.00 H new ATOM 0 HG3 GLU A 4 99.679 -9.810 14.310 1.00 0.00 H new ATOM 64 N PHE A 5 100.088 -9.273 9.276 1.00 0.00 N ATOM 65 CA PHE A 5 100.052 -9.662 7.838 1.00 0.00 C ATOM 66 C PHE A 5 101.348 -10.391 7.475 1.00 0.00 C ATOM 67 O PHE A 5 101.488 -10.925 6.393 1.00 0.00 O ATOM 68 CB PHE A 5 99.906 -8.413 6.965 1.00 0.00 C ATOM 69 CG PHE A 5 99.319 -8.807 5.628 1.00 0.00 C ATOM 70 CD1 PHE A 5 100.160 -9.046 4.536 1.00 0.00 C ATOM 71 CD2 PHE A 5 97.935 -8.942 5.485 1.00 0.00 C ATOM 72 CE1 PHE A 5 99.617 -9.422 3.302 1.00 0.00 C ATOM 73 CE2 PHE A 5 97.392 -9.314 4.253 1.00 0.00 C ATOM 74 CZ PHE A 5 98.233 -9.556 3.161 1.00 0.00 C ATOM 0 H PHE A 5 99.860 -8.298 9.469 1.00 0.00 H new ATOM 0 HA PHE A 5 99.201 -10.321 7.665 1.00 0.00 H new ATOM 0 HB2 PHE A 5 99.263 -7.684 7.457 1.00 0.00 H new ATOM 0 HB3 PHE A 5 100.877 -7.938 6.824 1.00 0.00 H new ATOM 0 HD1 PHE A 5 101.229 -8.940 4.645 1.00 0.00 H new ATOM 0 HD2 PHE A 5 97.285 -8.759 6.328 1.00 0.00 H new ATOM 0 HE1 PHE A 5 100.267 -9.608 2.460 1.00 0.00 H new ATOM 0 HE2 PHE A 5 96.322 -9.415 4.143 1.00 0.00 H new ATOM 0 HZ PHE A 5 97.813 -9.846 2.209 1.00 0.00 H new ATOM 84 N LEU A 6 102.295 -10.420 8.373 1.00 0.00 N ATOM 85 CA LEU A 6 103.578 -11.116 8.078 1.00 0.00 C ATOM 86 C LEU A 6 103.441 -12.604 8.412 1.00 0.00 C ATOM 87 O LEU A 6 104.116 -13.440 7.845 1.00 0.00 O ATOM 88 CB LEU A 6 104.696 -10.504 8.923 1.00 0.00 C ATOM 89 CG LEU A 6 104.627 -8.979 8.832 1.00 0.00 C ATOM 90 CD1 LEU A 6 105.901 -8.373 9.425 1.00 0.00 C ATOM 91 CD2 LEU A 6 104.500 -8.562 7.366 1.00 0.00 C ATOM 0 H LEU A 6 102.235 -9.992 9.297 1.00 0.00 H new ATOM 0 HA LEU A 6 103.818 -11.002 7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 6 104.598 -10.822 9.961 1.00 0.00 H new ATOM 0 HB3 LEU A 6 105.666 -10.856 8.572 1.00 0.00 H new ATOM 0 HG LEU A 6 103.761 -8.621 9.389 1.00 0.00 H new ATOM 0 HD11 LEU A 6 105.851 -7.286 9.360 1.00 0.00 H new ATOM 0 HD12 LEU A 6 105.993 -8.670 10.470 1.00 0.00 H new ATOM 0 HD13 LEU A 6 106.767 -8.731 8.868 1.00 0.00 H new ATOM 0 HD21 LEU A 6 104.451 -7.475 7.300 1.00 0.00 H new ATOM 0 HD22 LEU A 6 105.366 -8.921 6.809 1.00 0.00 H new ATOM 0 HD23 LEU A 6 103.593 -8.993 6.942 1.00 0.00 H new ATOM 103 N LYS A 7 102.573 -12.938 9.328 1.00 0.00 N ATOM 104 CA LYS A 7 102.388 -14.367 9.699 1.00 0.00 C ATOM 105 C LYS A 7 100.898 -14.709 9.692 1.00 0.00 C ATOM 106 O LYS A 7 100.484 -15.740 10.185 1.00 0.00 O ATOM 107 CB LYS A 7 102.962 -14.607 11.098 1.00 0.00 C ATOM 108 CG LYS A 7 102.778 -13.348 11.948 1.00 0.00 C ATOM 109 CD LYS A 7 103.275 -13.614 13.370 1.00 0.00 C ATOM 110 CE LYS A 7 103.376 -12.290 14.131 1.00 0.00 C ATOM 111 NZ LYS A 7 104.612 -11.571 13.712 1.00 0.00 N ATOM 0 H LYS A 7 101.983 -12.279 9.836 1.00 0.00 H new ATOM 0 HA LYS A 7 102.907 -15.000 8.979 1.00 0.00 H new ATOM 0 HB2 LYS A 7 102.460 -15.453 11.568 1.00 0.00 H new ATOM 0 HB3 LYS A 7 104.020 -14.861 11.030 1.00 0.00 H new ATOM 0 HG2 LYS A 7 103.329 -12.516 11.509 1.00 0.00 H new ATOM 0 HG3 LYS A 7 101.727 -13.060 11.967 1.00 0.00 H new ATOM 0 HD2 LYS A 7 102.593 -14.290 13.885 1.00 0.00 H new ATOM 0 HD3 LYS A 7 104.248 -14.104 13.341 1.00 0.00 H new ATOM 0 HE2 LYS A 7 102.499 -11.675 13.931 1.00 0.00 H new ATOM 0 HE3 LYS A 7 103.397 -12.476 15.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 104.972 -11.006 14.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 105.334 -12.261 13.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 104.394 -10.943 12.912 1.00 0.00 H new ATOM 125 N ALA A 8 100.085 -13.851 9.137 1.00 0.00 N ATOM 126 CA ALA A 8 98.621 -14.127 9.098 1.00 0.00 C ATOM 127 C ALA A 8 98.381 -15.528 8.533 1.00 0.00 C ATOM 128 O ALA A 8 99.172 -16.042 7.767 1.00 0.00 O ATOM 129 CB ALA A 8 97.930 -13.092 8.209 1.00 0.00 C ATOM 0 H ALA A 8 100.372 -12.971 8.709 1.00 0.00 H new ATOM 0 HA ALA A 8 98.213 -14.068 10.107 1.00 0.00 H new ATOM 0 HB1 ALA A 8 96.859 -13.294 8.180 1.00 0.00 H new ATOM 0 HB2 ALA A 8 98.101 -12.094 8.613 1.00 0.00 H new ATOM 0 HB3 ALA A 8 98.337 -13.150 7.200 1.00 0.00 H new ATOM 135 N GLY A 9 97.294 -16.148 8.901 1.00 0.00 N ATOM 136 CA GLY A 9 97.004 -17.517 8.383 1.00 0.00 C ATOM 137 C GLY A 9 96.221 -18.307 9.432 1.00 0.00 C ATOM 138 O GLY A 9 96.574 -19.420 9.777 1.00 0.00 O ATOM 0 H GLY A 9 96.594 -15.767 9.537 1.00 0.00 H new ATOM 0 HA2 GLY A 9 96.430 -17.453 7.458 1.00 0.00 H new ATOM 0 HA3 GLY A 9 97.935 -18.032 8.146 1.00 0.00 H new ATOM 142 N LYS A 10 95.161 -17.746 9.946 1.00 0.00 N ATOM 143 CA LYS A 10 94.359 -18.465 10.971 1.00 0.00 C ATOM 144 C LYS A 10 92.895 -18.030 10.877 1.00 0.00 C ATOM 145 O LYS A 10 92.182 -17.996 11.859 1.00 0.00 O ATOM 146 CB LYS A 10 94.902 -18.135 12.363 1.00 0.00 C ATOM 147 CG LYS A 10 94.609 -16.670 12.695 1.00 0.00 C ATOM 148 CD LYS A 10 95.674 -16.143 13.660 1.00 0.00 C ATOM 149 CE LYS A 10 95.433 -14.656 13.926 1.00 0.00 C ATOM 150 NZ LYS A 10 95.626 -13.888 12.664 1.00 0.00 N ATOM 0 H LYS A 10 94.816 -16.818 9.698 1.00 0.00 H new ATOM 0 HA LYS A 10 94.427 -19.539 10.797 1.00 0.00 H new ATOM 0 HB2 LYS A 10 94.443 -18.786 13.107 1.00 0.00 H new ATOM 0 HB3 LYS A 10 95.976 -18.319 12.398 1.00 0.00 H new ATOM 0 HG2 LYS A 10 94.602 -16.073 11.783 1.00 0.00 H new ATOM 0 HG3 LYS A 10 93.620 -16.578 13.143 1.00 0.00 H new ATOM 0 HD2 LYS A 10 95.639 -16.701 14.596 1.00 0.00 H new ATOM 0 HD3 LYS A 10 96.668 -16.291 13.237 1.00 0.00 H new ATOM 0 HE2 LYS A 10 94.423 -14.503 14.307 1.00 0.00 H new ATOM 0 HE3 LYS A 10 96.120 -14.297 14.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 96.029 -12.955 12.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 96.275 -14.406 12.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 94.709 -13.766 12.188 1.00 0.00 H new ATOM 164 N GLU A 11 92.442 -17.694 9.699 1.00 0.00 N ATOM 165 CA GLU A 11 91.025 -17.263 9.540 1.00 0.00 C ATOM 166 C GLU A 11 90.515 -17.691 8.161 1.00 0.00 C ATOM 167 O GLU A 11 90.518 -16.918 7.224 1.00 0.00 O ATOM 168 CB GLU A 11 90.937 -15.741 9.665 1.00 0.00 C ATOM 169 CG GLU A 11 91.469 -15.308 11.032 1.00 0.00 C ATOM 170 CD GLU A 11 90.999 -13.883 11.336 1.00 0.00 C ATOM 171 OE1 GLU A 11 89.833 -13.606 11.114 1.00 0.00 O ATOM 172 OE2 GLU A 11 91.815 -13.095 11.783 1.00 0.00 O ATOM 0 H GLU A 11 92.993 -17.700 8.841 1.00 0.00 H new ATOM 0 HA GLU A 11 90.415 -17.727 10.315 1.00 0.00 H new ATOM 0 HB2 GLU A 11 91.515 -15.267 8.872 1.00 0.00 H new ATOM 0 HB3 GLU A 11 89.904 -15.415 9.546 1.00 0.00 H new ATOM 0 HG2 GLU A 11 91.116 -15.991 11.804 1.00 0.00 H new ATOM 0 HG3 GLU A 11 92.558 -15.353 11.041 1.00 0.00 H new ATOM 179 N PRO A 12 90.083 -18.918 8.041 1.00 0.00 N ATOM 180 CA PRO A 12 89.560 -19.466 6.756 1.00 0.00 C ATOM 181 C PRO A 12 88.530 -18.540 6.103 1.00 0.00 C ATOM 182 O PRO A 12 87.338 -18.750 6.207 1.00 0.00 O ATOM 183 CB PRO A 12 88.911 -20.791 7.163 1.00 0.00 C ATOM 184 CG PRO A 12 89.607 -21.203 8.418 1.00 0.00 C ATOM 185 CD PRO A 12 90.044 -19.917 9.120 1.00 0.00 C ATOM 0 HA PRO A 12 90.350 -19.579 6.014 1.00 0.00 H new ATOM 0 HB2 PRO A 12 87.841 -20.670 7.329 1.00 0.00 H new ATOM 0 HB3 PRO A 12 89.030 -21.543 6.383 1.00 0.00 H new ATOM 0 HG2 PRO A 12 88.942 -21.786 9.056 1.00 0.00 H new ATOM 0 HG3 PRO A 12 90.468 -21.834 8.194 1.00 0.00 H new ATOM 0 HD2 PRO A 12 89.342 -19.631 9.903 1.00 0.00 H new ATOM 0 HD3 PRO A 12 91.019 -20.032 9.593 1.00 0.00 H new ATOM 193 N GLY A 13 88.981 -17.517 5.431 1.00 0.00 N ATOM 194 CA GLY A 13 88.030 -16.580 4.773 1.00 0.00 C ATOM 195 C GLY A 13 88.807 -15.439 4.112 1.00 0.00 C ATOM 196 O GLY A 13 89.349 -15.586 3.034 1.00 0.00 O ATOM 0 H GLY A 13 89.968 -17.290 5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 13 87.439 -17.111 4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 13 87.331 -16.180 5.508 1.00 0.00 H new ATOM 200 N LEU A 14 88.866 -14.303 4.752 1.00 0.00 N ATOM 201 CA LEU A 14 89.605 -13.152 4.160 1.00 0.00 C ATOM 202 C LEU A 14 89.968 -12.155 5.263 1.00 0.00 C ATOM 203 O LEU A 14 89.109 -11.617 5.932 1.00 0.00 O ATOM 204 CB LEU A 14 88.720 -12.461 3.120 1.00 0.00 C ATOM 205 CG LEU A 14 89.549 -11.440 2.334 1.00 0.00 C ATOM 206 CD1 LEU A 14 90.135 -12.105 1.086 1.00 0.00 C ATOM 207 CD2 LEU A 14 88.653 -10.272 1.913 1.00 0.00 C ATOM 0 H LEU A 14 88.435 -14.122 5.659 1.00 0.00 H new ATOM 0 HA LEU A 14 90.516 -13.512 3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 14 88.296 -13.200 2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 14 87.884 -11.964 3.612 1.00 0.00 H new ATOM 0 HG LEU A 14 90.359 -11.072 2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 14 90.724 -11.377 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 14 90.773 -12.937 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 14 89.325 -12.475 0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 14 89.242 -9.545 1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 14 87.843 -10.643 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 14 88.236 -9.796 2.800 1.00 0.00 H new ATOM 219 N GLN A 15 91.235 -11.903 5.455 1.00 0.00 N ATOM 220 CA GLN A 15 91.652 -10.937 6.513 1.00 0.00 C ATOM 221 C GLN A 15 92.161 -9.652 5.855 1.00 0.00 C ATOM 222 O GLN A 15 93.016 -9.683 4.990 1.00 0.00 O ATOM 223 CB GLN A 15 92.768 -11.554 7.355 1.00 0.00 C ATOM 224 CG GLN A 15 92.452 -13.027 7.625 1.00 0.00 C ATOM 225 CD GLN A 15 93.373 -13.554 8.725 1.00 0.00 C ATOM 226 OE1 GLN A 15 93.120 -13.347 9.896 1.00 0.00 O ATOM 227 NE2 GLN A 15 94.438 -14.232 8.398 1.00 0.00 N ATOM 0 H GLN A 15 91.999 -12.324 4.926 1.00 0.00 H new ATOM 0 HA GLN A 15 90.800 -10.707 7.152 1.00 0.00 H new ATOM 0 HB2 GLN A 15 93.722 -11.466 6.834 1.00 0.00 H new ATOM 0 HB3 GLN A 15 92.868 -11.014 8.297 1.00 0.00 H new ATOM 0 HG2 GLN A 15 91.410 -13.137 7.925 1.00 0.00 H new ATOM 0 HG3 GLN A 15 92.585 -13.611 6.714 1.00 0.00 H new ATOM 0 HE21 GLN A 15 94.650 -14.406 7.416 1.00 0.00 H new ATOM 0 HE22 GLN A 15 95.059 -14.589 9.125 1.00 0.00 H new ATOM 236 N ILE A 16 91.639 -8.522 6.254 1.00 0.00 N ATOM 237 CA ILE A 16 92.085 -7.237 5.642 1.00 0.00 C ATOM 238 C ILE A 16 93.073 -6.528 6.572 1.00 0.00 C ATOM 239 O ILE A 16 92.955 -6.580 7.780 1.00 0.00 O ATOM 240 CB ILE A 16 90.871 -6.336 5.415 1.00 0.00 C ATOM 241 CG1 ILE A 16 89.807 -7.102 4.624 1.00 0.00 C ATOM 242 CG2 ILE A 16 91.293 -5.094 4.629 1.00 0.00 C ATOM 243 CD1 ILE A 16 88.496 -6.314 4.634 1.00 0.00 C ATOM 0 H ILE A 16 90.924 -8.434 6.976 1.00 0.00 H new ATOM 0 HA ILE A 16 92.575 -7.446 4.691 1.00 0.00 H new ATOM 0 HB ILE A 16 90.461 -6.033 6.378 1.00 0.00 H new ATOM 0 HG12 ILE A 16 90.143 -7.257 3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 16 89.654 -8.089 5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 16 90.426 -4.453 4.468 1.00 0.00 H new ATOM 0 HG22 ILE A 16 92.049 -4.547 5.192 1.00 0.00 H new ATOM 0 HG23 ILE A 16 91.705 -5.395 3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 16 87.739 -6.860 4.071 1.00 0.00 H new ATOM 0 HD12 ILE A 16 88.159 -6.182 5.662 1.00 0.00 H new ATOM 0 HD13 ILE A 16 88.655 -5.338 4.176 1.00 0.00 H new ATOM 255 N TRP A 17 94.045 -5.858 6.012 1.00 0.00 N ATOM 256 CA TRP A 17 95.040 -5.137 6.854 1.00 0.00 C ATOM 257 C TRP A 17 95.412 -3.822 6.163 1.00 0.00 C ATOM 258 O TRP A 17 95.227 -3.663 4.973 1.00 0.00 O ATOM 259 CB TRP A 17 96.291 -6.009 7.015 1.00 0.00 C ATOM 260 CG TRP A 17 96.374 -6.529 8.417 1.00 0.00 C ATOM 261 CD1 TRP A 17 96.777 -5.808 9.488 1.00 0.00 C ATOM 262 CD2 TRP A 17 96.065 -7.864 8.915 1.00 0.00 C ATOM 263 NE1 TRP A 17 96.735 -6.613 10.611 1.00 0.00 N ATOM 264 CE2 TRP A 17 96.304 -7.889 10.311 1.00 0.00 C ATOM 265 CE3 TRP A 17 95.606 -9.044 8.301 1.00 0.00 C ATOM 266 CZ2 TRP A 17 96.097 -9.045 11.067 1.00 0.00 C ATOM 267 CZ3 TRP A 17 95.398 -10.207 9.060 1.00 0.00 C ATOM 268 CH2 TRP A 17 95.643 -10.207 10.439 1.00 0.00 C ATOM 0 H TRP A 17 94.192 -5.780 5.006 1.00 0.00 H new ATOM 0 HA TRP A 17 94.618 -4.928 7.837 1.00 0.00 H new ATOM 0 HB2 TRP A 17 96.258 -6.841 6.311 1.00 0.00 H new ATOM 0 HB3 TRP A 17 97.183 -5.428 6.780 1.00 0.00 H new ATOM 0 HD1 TRP A 17 97.082 -4.772 9.469 1.00 0.00 H new ATOM 0 HE1 TRP A 17 96.992 -6.302 11.548 1.00 0.00 H new ATOM 0 HE3 TRP A 17 95.412 -9.055 7.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 96.287 -9.040 12.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 95.047 -11.107 8.577 1.00 0.00 H new ATOM 0 HH2 TRP A 17 95.481 -11.105 11.016 1.00 0.00 H new ATOM 279 N ARG A 18 95.933 -2.876 6.898 1.00 0.00 N ATOM 280 CA ARG A 18 96.314 -1.573 6.279 1.00 0.00 C ATOM 281 C ARG A 18 97.767 -1.244 6.622 1.00 0.00 C ATOM 282 O ARG A 18 98.238 -1.524 7.705 1.00 0.00 O ATOM 283 CB ARG A 18 95.403 -0.467 6.818 1.00 0.00 C ATOM 284 CG ARG A 18 95.931 0.893 6.363 1.00 0.00 C ATOM 285 CD ARG A 18 94.871 1.966 6.622 1.00 0.00 C ATOM 286 NE ARG A 18 94.371 1.840 8.019 1.00 0.00 N ATOM 287 CZ ARG A 18 93.191 2.302 8.334 1.00 0.00 C ATOM 288 NH1 ARG A 18 92.754 2.194 9.560 1.00 0.00 N ATOM 289 NH2 ARG A 18 92.450 2.871 7.424 1.00 0.00 N ATOM 0 H ARG A 18 96.111 -2.949 7.900 1.00 0.00 H new ATOM 0 HA ARG A 18 96.205 -1.643 5.197 1.00 0.00 H new ATOM 0 HB2 ARG A 18 94.384 -0.613 6.459 1.00 0.00 H new ATOM 0 HB3 ARG A 18 95.366 -0.509 7.907 1.00 0.00 H new ATOM 0 HG2 ARG A 18 96.848 1.136 6.899 1.00 0.00 H new ATOM 0 HG3 ARG A 18 96.180 0.862 5.302 1.00 0.00 H new ATOM 0 HD2 ARG A 18 95.295 2.958 6.464 1.00 0.00 H new ATOM 0 HD3 ARG A 18 94.047 1.856 5.918 1.00 0.00 H new ATOM 0 HE ARG A 18 94.950 1.393 8.730 1.00 0.00 H new ATOM 0 HH11 ARG A 18 93.334 1.749 10.271 1.00 0.00 H new ATOM 0 HH12 ARG A 18 91.832 2.555 9.807 1.00 0.00 H new ATOM 0 HH21 ARG A 18 92.792 2.955 6.467 1.00 0.00 H new ATOM 0 HH22 ARG A 18 91.528 3.232 7.669 1.00 0.00 H new ATOM 303 N VAL A 19 98.482 -0.650 5.706 1.00 0.00 N ATOM 304 CA VAL A 19 99.904 -0.300 5.982 1.00 0.00 C ATOM 305 C VAL A 19 99.962 0.965 6.837 1.00 0.00 C ATOM 306 O VAL A 19 99.142 1.851 6.709 1.00 0.00 O ATOM 307 CB VAL A 19 100.637 -0.050 4.662 1.00 0.00 C ATOM 308 CG1 VAL A 19 100.162 1.273 4.059 1.00 0.00 C ATOM 309 CG2 VAL A 19 102.142 0.021 4.923 1.00 0.00 C ATOM 0 H VAL A 19 98.143 -0.392 4.779 1.00 0.00 H new ATOM 0 HA VAL A 19 100.380 -1.124 6.514 1.00 0.00 H new ATOM 0 HB VAL A 19 100.425 -0.863 3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 19 100.683 1.452 3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 19 99.089 1.225 3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 19 100.375 2.086 4.753 1.00 0.00 H new ATOM 0 HG21 VAL A 19 102.666 0.199 3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 19 102.353 0.835 5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 19 102.481 -0.921 5.355 1.00 0.00 H new ATOM 319 N GLU A 20 100.929 1.060 7.707 1.00 0.00 N ATOM 320 CA GLU A 20 101.039 2.271 8.566 1.00 0.00 C ATOM 321 C GLU A 20 101.966 3.284 7.892 1.00 0.00 C ATOM 322 O GLU A 20 102.826 2.928 7.111 1.00 0.00 O ATOM 323 CB GLU A 20 101.612 1.882 9.929 1.00 0.00 C ATOM 324 CG GLU A 20 101.486 3.063 10.896 1.00 0.00 C ATOM 325 CD GLU A 20 101.524 2.547 12.336 1.00 0.00 C ATOM 326 OE1 GLU A 20 101.273 3.337 13.234 1.00 0.00 O ATOM 327 OE2 GLU A 20 101.802 1.374 12.518 1.00 0.00 O ATOM 0 H GLU A 20 101.647 0.352 7.860 1.00 0.00 H new ATOM 0 HA GLU A 20 100.052 2.712 8.703 1.00 0.00 H new ATOM 0 HB2 GLU A 20 101.080 1.017 10.325 1.00 0.00 H new ATOM 0 HB3 GLU A 20 102.658 1.593 9.826 1.00 0.00 H new ATOM 0 HG2 GLU A 20 102.298 3.771 10.730 1.00 0.00 H new ATOM 0 HG3 GLU A 20 100.554 3.598 10.714 1.00 0.00 H new ATOM 334 N LYS A 21 101.799 4.541 8.188 1.00 0.00 N ATOM 335 CA LYS A 21 102.671 5.577 7.566 1.00 0.00 C ATOM 336 C LYS A 21 104.128 5.110 7.607 1.00 0.00 C ATOM 337 O LYS A 21 104.986 5.665 6.949 1.00 0.00 O ATOM 338 CB LYS A 21 102.535 6.892 8.337 1.00 0.00 C ATOM 339 CG LYS A 21 101.072 7.106 8.731 1.00 0.00 C ATOM 340 CD LYS A 21 100.846 8.581 9.067 1.00 0.00 C ATOM 341 CE LYS A 21 99.352 8.836 9.272 1.00 0.00 C ATOM 342 NZ LYS A 21 99.166 10.034 10.136 1.00 0.00 N ATOM 0 H LYS A 21 101.095 4.898 8.835 1.00 0.00 H new ATOM 0 HA LYS A 21 102.367 5.731 6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 21 103.163 6.870 9.228 1.00 0.00 H new ATOM 0 HB3 LYS A 21 102.882 7.723 7.723 1.00 0.00 H new ATOM 0 HG2 LYS A 21 100.416 6.803 7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 21 100.821 6.484 9.590 1.00 0.00 H new ATOM 0 HD2 LYS A 21 101.398 8.848 9.968 1.00 0.00 H new ATOM 0 HD3 LYS A 21 101.226 9.210 8.262 1.00 0.00 H new ATOM 0 HE2 LYS A 21 98.863 8.989 8.310 1.00 0.00 H new ATOM 0 HE3 LYS A 21 98.884 7.966 9.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 98.150 10.207 10.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 99.619 9.871 11.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 99.599 10.862 9.679 1.00 0.00 H new ATOM 356 N PHE A 22 104.416 4.094 8.375 1.00 0.00 N ATOM 357 CA PHE A 22 105.818 3.597 8.455 1.00 0.00 C ATOM 358 C PHE A 22 105.832 2.188 9.054 1.00 0.00 C ATOM 359 O PHE A 22 106.793 1.777 9.673 1.00 0.00 O ATOM 360 CB PHE A 22 106.639 4.535 9.342 1.00 0.00 C ATOM 361 CG PHE A 22 108.039 3.990 9.495 1.00 0.00 C ATOM 362 CD1 PHE A 22 108.465 3.493 10.733 1.00 0.00 C ATOM 363 CD2 PHE A 22 108.912 3.984 8.400 1.00 0.00 C ATOM 364 CE1 PHE A 22 109.763 2.987 10.875 1.00 0.00 C ATOM 365 CE2 PHE A 22 110.209 3.478 8.542 1.00 0.00 C ATOM 366 CZ PHE A 22 110.634 2.980 9.779 1.00 0.00 C ATOM 0 H PHE A 22 103.742 3.588 8.949 1.00 0.00 H new ATOM 0 HA PHE A 22 106.249 3.568 7.454 1.00 0.00 H new ATOM 0 HB2 PHE A 22 106.672 5.532 8.902 1.00 0.00 H new ATOM 0 HB3 PHE A 22 106.167 4.633 10.320 1.00 0.00 H new ATOM 0 HD1 PHE A 22 107.793 3.500 11.578 1.00 0.00 H new ATOM 0 HD2 PHE A 22 108.584 4.370 7.446 1.00 0.00 H new ATOM 0 HE1 PHE A 22 110.092 2.603 11.829 1.00 0.00 H new ATOM 0 HE2 PHE A 22 110.882 3.472 7.697 1.00 0.00 H new ATOM 0 HZ PHE A 22 111.635 2.590 9.888 1.00 0.00 H new ATOM 376 N ASP A 23 104.774 1.443 8.875 1.00 0.00 N ATOM 377 CA ASP A 23 104.734 0.062 9.435 1.00 0.00 C ATOM 378 C ASP A 23 103.446 -0.636 8.990 1.00 0.00 C ATOM 379 O ASP A 23 103.051 -0.559 7.844 1.00 0.00 O ATOM 380 CB ASP A 23 104.772 0.132 10.964 1.00 0.00 C ATOM 381 CG ASP A 23 105.373 -1.161 11.520 1.00 0.00 C ATOM 382 OD1 ASP A 23 104.753 -1.754 12.386 1.00 0.00 O ATOM 383 OD2 ASP A 23 106.445 -1.534 11.070 1.00 0.00 O ATOM 0 H ASP A 23 103.938 1.731 8.366 1.00 0.00 H new ATOM 0 HA ASP A 23 105.594 -0.501 9.073 1.00 0.00 H new ATOM 0 HB2 ASP A 23 105.365 0.988 11.285 1.00 0.00 H new ATOM 0 HB3 ASP A 23 103.766 0.276 11.357 1.00 0.00 H new ATOM 388 N LEU A 24 102.790 -1.319 9.892 1.00 0.00 N ATOM 389 CA LEU A 24 101.528 -2.026 9.528 1.00 0.00 C ATOM 390 C LEU A 24 100.416 -1.603 10.492 1.00 0.00 C ATOM 391 O LEU A 24 100.651 -1.353 11.657 1.00 0.00 O ATOM 392 CB LEU A 24 101.747 -3.542 9.628 1.00 0.00 C ATOM 393 CG LEU A 24 101.868 -4.146 8.224 1.00 0.00 C ATOM 394 CD1 LEU A 24 100.542 -3.977 7.469 1.00 0.00 C ATOM 395 CD2 LEU A 24 102.992 -3.439 7.459 1.00 0.00 C ATOM 0 H LEU A 24 103.075 -1.417 10.866 1.00 0.00 H new ATOM 0 HA LEU A 24 101.243 -1.768 8.508 1.00 0.00 H new ATOM 0 HB2 LEU A 24 102.650 -3.751 10.202 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.916 -4.004 10.162 1.00 0.00 H new ATOM 0 HG LEU A 24 102.098 -5.208 8.307 1.00 0.00 H new ATOM 0 HD11 LEU A 24 100.634 -4.408 6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 24 99.746 -4.486 8.013 1.00 0.00 H new ATOM 0 HD13 LEU A 24 100.303 -2.917 7.386 1.00 0.00 H new ATOM 0 HD21 LEU A 24 103.079 -3.868 6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 24 102.765 -2.376 7.379 1.00 0.00 H new ATOM 0 HD23 LEU A 24 103.933 -3.569 7.993 1.00 0.00 H new ATOM 407 N VAL A 25 99.203 -1.527 10.014 1.00 0.00 N ATOM 408 CA VAL A 25 98.074 -1.124 10.900 1.00 0.00 C ATOM 409 C VAL A 25 96.833 -1.955 10.539 1.00 0.00 C ATOM 410 O VAL A 25 96.469 -2.056 9.385 1.00 0.00 O ATOM 411 CB VAL A 25 97.779 0.369 10.696 1.00 0.00 C ATOM 412 CG1 VAL A 25 96.293 0.648 10.930 1.00 0.00 C ATOM 413 CG2 VAL A 25 98.611 1.193 11.684 1.00 0.00 C ATOM 0 H VAL A 25 98.945 -1.727 9.047 1.00 0.00 H new ATOM 0 HA VAL A 25 98.337 -1.299 11.943 1.00 0.00 H new ATOM 0 HB VAL A 25 98.038 0.646 9.674 1.00 0.00 H new ATOM 0 HG11 VAL A 25 96.095 1.710 10.783 1.00 0.00 H new ATOM 0 HG12 VAL A 25 95.698 0.067 10.225 1.00 0.00 H new ATOM 0 HG13 VAL A 25 96.026 0.367 11.949 1.00 0.00 H new ATOM 0 HG21 VAL A 25 98.402 2.253 11.540 1.00 0.00 H new ATOM 0 HG22 VAL A 25 98.353 0.908 12.704 1.00 0.00 H new ATOM 0 HG23 VAL A 25 99.671 1.005 11.512 1.00 0.00 H new ATOM 423 N PRO A 26 96.191 -2.547 11.516 1.00 0.00 N ATOM 424 CA PRO A 26 94.976 -3.381 11.283 1.00 0.00 C ATOM 425 C PRO A 26 93.745 -2.534 10.947 1.00 0.00 C ATOM 426 O PRO A 26 93.786 -1.320 10.985 1.00 0.00 O ATOM 427 CB PRO A 26 94.775 -4.112 12.610 1.00 0.00 C ATOM 428 CG PRO A 26 95.412 -3.242 13.642 1.00 0.00 C ATOM 429 CD PRO A 26 96.547 -2.491 12.944 1.00 0.00 C ATOM 0 HA PRO A 26 95.104 -4.051 10.432 1.00 0.00 H new ATOM 0 HB2 PRO A 26 93.716 -4.260 12.820 1.00 0.00 H new ATOM 0 HB3 PRO A 26 95.237 -5.099 12.589 1.00 0.00 H new ATOM 0 HG2 PRO A 26 94.687 -2.545 14.061 1.00 0.00 H new ATOM 0 HG3 PRO A 26 95.795 -3.840 14.469 1.00 0.00 H new ATOM 0 HD2 PRO A 26 96.620 -1.462 13.296 1.00 0.00 H new ATOM 0 HD3 PRO A 26 97.512 -2.962 13.133 1.00 0.00 H new ATOM 437 N VAL A 27 92.651 -3.165 10.619 1.00 0.00 N ATOM 438 CA VAL A 27 91.419 -2.399 10.280 1.00 0.00 C ATOM 439 C VAL A 27 90.200 -3.107 10.887 1.00 0.00 C ATOM 440 O VAL A 27 89.940 -4.256 10.594 1.00 0.00 O ATOM 441 CB VAL A 27 91.263 -2.334 8.760 1.00 0.00 C ATOM 442 CG1 VAL A 27 90.052 -1.469 8.407 1.00 0.00 C ATOM 443 CG2 VAL A 27 92.523 -1.721 8.146 1.00 0.00 C ATOM 0 H VAL A 27 92.557 -4.180 10.571 1.00 0.00 H new ATOM 0 HA VAL A 27 91.494 -1.388 10.682 1.00 0.00 H new ATOM 0 HB VAL A 27 91.117 -3.340 8.366 1.00 0.00 H new ATOM 0 HG11 VAL A 27 89.941 -1.423 7.324 1.00 0.00 H new ATOM 0 HG12 VAL A 27 89.154 -1.904 8.845 1.00 0.00 H new ATOM 0 HG13 VAL A 27 90.197 -0.463 8.800 1.00 0.00 H new ATOM 0 HG21 VAL A 27 92.414 -1.674 7.063 1.00 0.00 H new ATOM 0 HG22 VAL A 27 92.668 -0.715 8.540 1.00 0.00 H new ATOM 0 HG23 VAL A 27 93.387 -2.337 8.397 1.00 0.00 H new ATOM 453 N PRO A 28 89.454 -2.430 11.728 1.00 0.00 N ATOM 454 CA PRO A 28 88.247 -3.019 12.374 1.00 0.00 C ATOM 455 C PRO A 28 87.051 -3.083 11.421 1.00 0.00 C ATOM 456 O PRO A 28 86.977 -2.357 10.450 1.00 0.00 O ATOM 457 CB PRO A 28 87.958 -2.063 13.533 1.00 0.00 C ATOM 458 CG PRO A 28 88.509 -0.745 13.104 1.00 0.00 C ATOM 459 CD PRO A 28 89.673 -1.036 12.153 1.00 0.00 C ATOM 0 HA PRO A 28 88.416 -4.049 12.688 1.00 0.00 H new ATOM 0 HB2 PRO A 28 86.888 -1.996 13.730 1.00 0.00 H new ATOM 0 HB3 PRO A 28 88.431 -2.406 14.453 1.00 0.00 H new ATOM 0 HG2 PRO A 28 87.743 -0.150 12.606 1.00 0.00 H new ATOM 0 HG3 PRO A 28 88.849 -0.170 13.965 1.00 0.00 H new ATOM 0 HD2 PRO A 28 89.671 -0.355 11.302 1.00 0.00 H new ATOM 0 HD3 PRO A 28 90.634 -0.919 12.653 1.00 0.00 H new ATOM 467 N THR A 29 86.110 -3.947 11.692 1.00 0.00 N ATOM 468 CA THR A 29 84.921 -4.058 10.803 1.00 0.00 C ATOM 469 C THR A 29 84.099 -2.770 10.892 1.00 0.00 C ATOM 470 O THR A 29 83.204 -2.537 10.106 1.00 0.00 O ATOM 471 CB THR A 29 84.064 -5.244 11.247 1.00 0.00 C ATOM 472 OG1 THR A 29 84.186 -5.415 12.654 1.00 0.00 O ATOM 473 CG2 THR A 29 84.535 -6.514 10.535 1.00 0.00 C ATOM 0 H THR A 29 86.115 -4.580 12.491 1.00 0.00 H new ATOM 0 HA THR A 29 85.246 -4.211 9.774 1.00 0.00 H new ATOM 0 HB THR A 29 83.022 -5.053 10.992 1.00 0.00 H new ATOM 0 HG1 THR A 29 83.636 -6.174 12.940 1.00 0.00 H new ATOM 0 HG21 THR A 29 83.923 -7.358 10.853 1.00 0.00 H new ATOM 0 HG22 THR A 29 84.441 -6.383 9.457 1.00 0.00 H new ATOM 0 HG23 THR A 29 85.578 -6.707 10.787 1.00 0.00 H new ATOM 481 N ASN A 30 84.398 -1.931 11.847 1.00 0.00 N ATOM 482 CA ASN A 30 83.635 -0.658 11.987 1.00 0.00 C ATOM 483 C ASN A 30 84.061 0.313 10.885 1.00 0.00 C ATOM 484 O ASN A 30 83.441 1.337 10.674 1.00 0.00 O ATOM 485 CB ASN A 30 83.925 -0.040 13.355 1.00 0.00 C ATOM 486 CG ASN A 30 84.040 -1.148 14.403 1.00 0.00 C ATOM 487 OD1 ASN A 30 83.414 -2.182 14.282 1.00 0.00 O ATOM 488 ND2 ASN A 30 84.820 -0.974 15.436 1.00 0.00 N ATOM 0 H ASN A 30 85.137 -2.072 12.536 1.00 0.00 H new ATOM 0 HA ASN A 30 82.567 -0.860 11.900 1.00 0.00 H new ATOM 0 HB2 ASN A 30 84.850 0.536 13.317 1.00 0.00 H new ATOM 0 HB3 ASN A 30 83.129 0.653 13.629 1.00 0.00 H new ATOM 0 HD21 ASN A 30 84.904 -1.706 16.141 1.00 0.00 H new ATOM 0 HD22 ASN A 30 85.346 -0.106 15.538 1.00 0.00 H new ATOM 495 N LEU A 31 85.115 -0.001 10.180 1.00 0.00 N ATOM 496 CA LEU A 31 85.583 0.899 9.090 1.00 0.00 C ATOM 497 C LEU A 31 85.715 0.101 7.791 1.00 0.00 C ATOM 498 O LEU A 31 85.718 0.653 6.710 1.00 0.00 O ATOM 499 CB LEU A 31 86.944 1.491 9.466 1.00 0.00 C ATOM 500 CG LEU A 31 86.811 2.303 10.756 1.00 0.00 C ATOM 501 CD1 LEU A 31 88.191 2.811 11.181 1.00 0.00 C ATOM 502 CD2 LEU A 31 85.882 3.496 10.515 1.00 0.00 C ATOM 0 H LEU A 31 85.672 -0.845 10.314 1.00 0.00 H new ATOM 0 HA LEU A 31 84.863 1.705 8.950 1.00 0.00 H new ATOM 0 HB2 LEU A 31 87.675 0.693 9.600 1.00 0.00 H new ATOM 0 HB3 LEU A 31 87.311 2.127 8.660 1.00 0.00 H new ATOM 0 HG LEU A 31 86.396 1.672 11.542 1.00 0.00 H new ATOM 0 HD11 LEU A 31 88.098 3.390 12.100 1.00 0.00 H new ATOM 0 HD12 LEU A 31 88.854 1.963 11.352 1.00 0.00 H new ATOM 0 HD13 LEU A 31 88.604 3.442 10.395 1.00 0.00 H new ATOM 0 HD21 LEU A 31 85.787 4.075 11.434 1.00 0.00 H new ATOM 0 HD22 LEU A 31 86.297 4.128 9.730 1.00 0.00 H new ATOM 0 HD23 LEU A 31 84.899 3.136 10.210 1.00 0.00 H new ATOM 514 N TYR A 32 85.823 -1.196 7.889 1.00 0.00 N ATOM 515 CA TYR A 32 85.955 -2.029 6.660 1.00 0.00 C ATOM 516 C TYR A 32 84.970 -1.529 5.600 1.00 0.00 C ATOM 517 O TYR A 32 83.801 -1.337 5.868 1.00 0.00 O ATOM 518 CB TYR A 32 85.648 -3.489 7.000 1.00 0.00 C ATOM 519 CG TYR A 32 85.407 -4.268 5.727 1.00 0.00 C ATOM 520 CD1 TYR A 32 84.230 -5.010 5.573 1.00 0.00 C ATOM 521 CD2 TYR A 32 86.360 -4.246 4.702 1.00 0.00 C ATOM 522 CE1 TYR A 32 84.007 -5.731 4.394 1.00 0.00 C ATOM 523 CE2 TYR A 32 86.137 -4.967 3.523 1.00 0.00 C ATOM 524 CZ TYR A 32 84.961 -5.710 3.368 1.00 0.00 C ATOM 525 OH TYR A 32 84.741 -6.420 2.206 1.00 0.00 O ATOM 0 H TYR A 32 85.826 -1.715 8.767 1.00 0.00 H new ATOM 0 HA TYR A 32 86.972 -1.954 6.274 1.00 0.00 H new ATOM 0 HB2 TYR A 32 86.479 -3.926 7.554 1.00 0.00 H new ATOM 0 HB3 TYR A 32 84.771 -3.546 7.644 1.00 0.00 H new ATOM 0 HD1 TYR A 32 83.494 -5.026 6.363 1.00 0.00 H new ATOM 0 HD2 TYR A 32 87.268 -3.673 4.821 1.00 0.00 H new ATOM 0 HE1 TYR A 32 83.099 -6.304 4.275 1.00 0.00 H new ATOM 0 HE2 TYR A 32 86.873 -4.950 2.733 1.00 0.00 H new ATOM 0 HH TYR A 32 85.500 -6.297 1.599 1.00 0.00 H new ATOM 535 N GLY A 33 85.435 -1.322 4.397 1.00 0.00 N ATOM 536 CA GLY A 33 84.529 -0.837 3.316 1.00 0.00 C ATOM 537 C GLY A 33 85.086 0.459 2.725 1.00 0.00 C ATOM 538 O GLY A 33 84.666 0.904 1.674 1.00 0.00 O ATOM 0 H GLY A 33 86.405 -1.468 4.116 1.00 0.00 H new ATOM 0 HA2 GLY A 33 84.437 -1.594 2.537 1.00 0.00 H new ATOM 0 HA3 GLY A 33 83.529 -0.667 3.715 1.00 0.00 H new ATOM 542 N ASP A 34 86.027 1.071 3.390 1.00 0.00 N ATOM 543 CA ASP A 34 86.609 2.338 2.865 1.00 0.00 C ATOM 544 C ASP A 34 87.963 2.050 2.212 1.00 0.00 C ATOM 545 O ASP A 34 88.682 1.159 2.619 1.00 0.00 O ATOM 546 CB ASP A 34 86.799 3.328 4.017 1.00 0.00 C ATOM 547 CG ASP A 34 86.969 4.740 3.454 1.00 0.00 C ATOM 548 OD1 ASP A 34 86.206 5.608 3.844 1.00 0.00 O ATOM 549 OD2 ASP A 34 87.863 4.931 2.645 1.00 0.00 O ATOM 0 H ASP A 34 86.418 0.748 4.275 1.00 0.00 H new ATOM 0 HA ASP A 34 85.934 2.766 2.124 1.00 0.00 H new ATOM 0 HB2 ASP A 34 85.939 3.293 4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 34 87.673 3.053 4.607 1.00 0.00 H new ATOM 554 N PHE A 35 88.316 2.797 1.201 1.00 0.00 N ATOM 555 CA PHE A 35 89.622 2.566 0.522 1.00 0.00 C ATOM 556 C PHE A 35 90.235 3.912 0.129 1.00 0.00 C ATOM 557 O PHE A 35 89.688 4.646 -0.669 1.00 0.00 O ATOM 558 CB PHE A 35 89.402 1.720 -0.733 1.00 0.00 C ATOM 559 CG PHE A 35 89.391 0.257 -0.358 1.00 0.00 C ATOM 560 CD1 PHE A 35 90.595 -0.412 -0.109 1.00 0.00 C ATOM 561 CD2 PHE A 35 88.175 -0.432 -0.260 1.00 0.00 C ATOM 562 CE1 PHE A 35 90.585 -1.768 0.239 1.00 0.00 C ATOM 563 CE2 PHE A 35 88.164 -1.787 0.086 1.00 0.00 C ATOM 564 CZ PHE A 35 89.369 -2.455 0.336 1.00 0.00 C ATOM 0 H PHE A 35 87.756 3.557 0.816 1.00 0.00 H new ATOM 0 HA PHE A 35 90.297 2.042 1.199 1.00 0.00 H new ATOM 0 HB2 PHE A 35 88.459 1.992 -1.207 1.00 0.00 H new ATOM 0 HB3 PHE A 35 90.192 1.915 -1.459 1.00 0.00 H new ATOM 0 HD1 PHE A 35 91.533 0.118 -0.185 1.00 0.00 H new ATOM 0 HD2 PHE A 35 87.246 0.084 -0.452 1.00 0.00 H new ATOM 0 HE1 PHE A 35 91.514 -2.283 0.432 1.00 0.00 H new ATOM 0 HE2 PHE A 35 87.226 -2.318 0.160 1.00 0.00 H new ATOM 0 HZ PHE A 35 89.360 -3.501 0.604 1.00 0.00 H new ATOM 574 N PHE A 36 91.369 4.242 0.685 1.00 0.00 N ATOM 575 CA PHE A 36 92.018 5.539 0.345 1.00 0.00 C ATOM 576 C PHE A 36 93.033 5.323 -0.779 1.00 0.00 C ATOM 577 O PHE A 36 93.923 4.502 -0.676 1.00 0.00 O ATOM 578 CB PHE A 36 92.734 6.090 1.580 1.00 0.00 C ATOM 579 CG PHE A 36 91.783 6.952 2.378 1.00 0.00 C ATOM 580 CD1 PHE A 36 90.528 6.454 2.745 1.00 0.00 C ATOM 581 CD2 PHE A 36 92.159 8.248 2.751 1.00 0.00 C ATOM 582 CE1 PHE A 36 89.647 7.253 3.483 1.00 0.00 C ATOM 583 CE2 PHE A 36 91.279 9.047 3.490 1.00 0.00 C ATOM 584 CZ PHE A 36 90.023 8.550 3.857 1.00 0.00 C ATOM 0 H PHE A 36 91.874 3.668 1.361 1.00 0.00 H new ATOM 0 HA PHE A 36 91.259 6.250 0.017 1.00 0.00 H new ATOM 0 HB2 PHE A 36 93.100 5.269 2.196 1.00 0.00 H new ATOM 0 HB3 PHE A 36 93.603 6.674 1.278 1.00 0.00 H new ATOM 0 HD1 PHE A 36 90.239 5.453 2.459 1.00 0.00 H new ATOM 0 HD2 PHE A 36 93.128 8.631 2.468 1.00 0.00 H new ATOM 0 HE1 PHE A 36 88.677 6.870 3.764 1.00 0.00 H new ATOM 0 HE2 PHE A 36 91.569 10.047 3.777 1.00 0.00 H new ATOM 0 HZ PHE A 36 89.344 9.166 4.428 1.00 0.00 H new ATOM 594 N THR A 37 92.911 6.057 -1.853 1.00 0.00 N ATOM 595 CA THR A 37 93.872 5.893 -2.979 1.00 0.00 C ATOM 596 C THR A 37 95.253 6.389 -2.542 1.00 0.00 C ATOM 597 O THR A 37 96.222 6.275 -3.266 1.00 0.00 O ATOM 598 CB THR A 37 93.393 6.708 -4.183 1.00 0.00 C ATOM 599 OG1 THR A 37 93.474 8.094 -3.876 1.00 0.00 O ATOM 600 CG2 THR A 37 91.945 6.339 -4.508 1.00 0.00 C ATOM 0 H THR A 37 92.188 6.762 -1.998 1.00 0.00 H new ATOM 0 HA THR A 37 93.933 4.841 -3.257 1.00 0.00 H new ATOM 0 HB THR A 37 94.023 6.489 -5.045 1.00 0.00 H new ATOM 0 HG1 THR A 37 93.024 8.611 -4.577 1.00 0.00 H new ATOM 0 HG21 THR A 37 91.605 6.920 -5.365 1.00 0.00 H new ATOM 0 HG22 THR A 37 91.884 5.276 -4.743 1.00 0.00 H new ATOM 0 HG23 THR A 37 91.312 6.557 -3.648 1.00 0.00 H new ATOM 608 N GLY A 38 95.348 6.939 -1.362 1.00 0.00 N ATOM 609 CA GLY A 38 96.665 7.442 -0.875 1.00 0.00 C ATOM 610 C GLY A 38 97.194 6.508 0.215 1.00 0.00 C ATOM 611 O GLY A 38 97.809 6.939 1.171 1.00 0.00 O ATOM 0 H GLY A 38 94.570 7.062 -0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 38 97.375 7.494 -1.701 1.00 0.00 H new ATOM 0 HA3 GLY A 38 96.558 8.453 -0.482 1.00 0.00 H new ATOM 615 N ASP A 39 96.960 5.232 0.080 1.00 0.00 N ATOM 616 CA ASP A 39 97.447 4.271 1.107 1.00 0.00 C ATOM 617 C ASP A 39 97.500 2.865 0.504 1.00 0.00 C ATOM 618 O ASP A 39 96.816 2.564 -0.453 1.00 0.00 O ATOM 619 CB ASP A 39 96.496 4.278 2.305 1.00 0.00 C ATOM 620 CG ASP A 39 96.820 5.468 3.209 1.00 0.00 C ATOM 621 OD1 ASP A 39 97.562 5.281 4.159 1.00 0.00 O ATOM 622 OD2 ASP A 39 96.322 6.548 2.936 1.00 0.00 O ATOM 0 H ASP A 39 96.452 4.813 -0.699 1.00 0.00 H new ATOM 0 HA ASP A 39 98.444 4.564 1.435 1.00 0.00 H new ATOM 0 HB2 ASP A 39 95.463 4.339 1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 39 96.592 3.347 2.864 1.00 0.00 H new ATOM 627 N ALA A 40 98.310 2.004 1.058 1.00 0.00 N ATOM 628 CA ALA A 40 98.408 0.617 0.515 1.00 0.00 C ATOM 629 C ALA A 40 97.667 -0.349 1.443 1.00 0.00 C ATOM 630 O ALA A 40 97.818 -0.305 2.648 1.00 0.00 O ATOM 631 CB ALA A 40 99.880 0.210 0.425 1.00 0.00 C ATOM 0 H ALA A 40 98.907 2.200 1.861 1.00 0.00 H new ATOM 0 HA ALA A 40 97.959 0.582 -0.477 1.00 0.00 H new ATOM 0 HB1 ALA A 40 99.954 -0.803 0.029 1.00 0.00 H new ATOM 0 HB2 ALA A 40 100.408 0.898 -0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 40 100.328 0.245 1.418 1.00 0.00 H new ATOM 637 N TYR A 41 96.869 -1.222 0.888 1.00 0.00 N ATOM 638 CA TYR A 41 96.118 -2.194 1.734 1.00 0.00 C ATOM 639 C TYR A 41 96.633 -3.609 1.453 1.00 0.00 C ATOM 640 O TYR A 41 96.821 -3.996 0.317 1.00 0.00 O ATOM 641 CB TYR A 41 94.625 -2.114 1.395 1.00 0.00 C ATOM 642 CG TYR A 41 93.923 -1.228 2.398 1.00 0.00 C ATOM 643 CD1 TYR A 41 92.984 -1.779 3.278 1.00 0.00 C ATOM 644 CD2 TYR A 41 94.209 0.142 2.445 1.00 0.00 C ATOM 645 CE1 TYR A 41 92.332 -0.959 4.207 1.00 0.00 C ATOM 646 CE2 TYR A 41 93.556 0.961 3.374 1.00 0.00 C ATOM 647 CZ TYR A 41 92.617 0.410 4.255 1.00 0.00 C ATOM 648 OH TYR A 41 91.973 1.218 5.170 1.00 0.00 O ATOM 0 H TYR A 41 96.705 -1.304 -0.115 1.00 0.00 H new ATOM 0 HA TYR A 41 96.263 -1.956 2.788 1.00 0.00 H new ATOM 0 HB2 TYR A 41 94.491 -1.718 0.388 1.00 0.00 H new ATOM 0 HB3 TYR A 41 94.186 -3.111 1.406 1.00 0.00 H new ATOM 0 HD1 TYR A 41 92.763 -2.835 3.240 1.00 0.00 H new ATOM 0 HD2 TYR A 41 94.933 0.567 1.765 1.00 0.00 H new ATOM 0 HE1 TYR A 41 91.608 -1.384 4.887 1.00 0.00 H new ATOM 0 HE2 TYR A 41 93.776 2.018 3.411 1.00 0.00 H new ATOM 0 HH TYR A 41 91.751 0.695 5.969 1.00 0.00 H new ATOM 658 N VAL A 42 96.863 -4.384 2.479 1.00 0.00 N ATOM 659 CA VAL A 42 97.363 -5.767 2.276 1.00 0.00 C ATOM 660 C VAL A 42 96.267 -6.751 2.670 1.00 0.00 C ATOM 661 O VAL A 42 95.735 -6.687 3.762 1.00 0.00 O ATOM 662 CB VAL A 42 98.568 -5.994 3.176 1.00 0.00 C ATOM 663 CG1 VAL A 42 99.688 -6.669 2.381 1.00 0.00 C ATOM 664 CG2 VAL A 42 99.069 -4.652 3.714 1.00 0.00 C ATOM 0 H VAL A 42 96.724 -4.114 3.453 1.00 0.00 H new ATOM 0 HA VAL A 42 97.642 -5.912 1.232 1.00 0.00 H new ATOM 0 HB VAL A 42 98.276 -6.635 4.008 1.00 0.00 H new ATOM 0 HG11 VAL A 42 100.549 -6.830 3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 42 99.337 -7.628 2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 42 99.977 -6.031 1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 42 99.932 -4.818 4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 42 99.356 -4.010 2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 42 98.276 -4.171 4.286 1.00 0.00 H new ATOM 674 N ILE A 43 95.913 -7.652 1.799 1.00 0.00 N ATOM 675 CA ILE A 43 94.835 -8.619 2.145 1.00 0.00 C ATOM 676 C ILE A 43 95.320 -10.055 1.939 1.00 0.00 C ATOM 677 O ILE A 43 95.926 -10.383 0.938 1.00 0.00 O ATOM 678 CB ILE A 43 93.617 -8.349 1.260 1.00 0.00 C ATOM 679 CG1 ILE A 43 93.692 -6.923 0.694 1.00 0.00 C ATOM 680 CG2 ILE A 43 92.348 -8.492 2.096 1.00 0.00 C ATOM 681 CD1 ILE A 43 93.768 -5.905 1.838 1.00 0.00 C ATOM 0 H ILE A 43 96.319 -7.761 0.870 1.00 0.00 H new ATOM 0 HA ILE A 43 94.564 -8.494 3.193 1.00 0.00 H new ATOM 0 HB ILE A 43 93.602 -9.064 0.437 1.00 0.00 H new ATOM 0 HG12 ILE A 43 94.566 -6.824 0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 43 92.817 -6.722 0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 43 91.476 -8.301 1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 43 92.290 -9.503 2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 43 92.370 -7.775 2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 43 93.821 -4.897 1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 43 92.880 -5.995 2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 43 94.657 -6.098 2.439 1.00 0.00 H new ATOM 693 N LEU A 44 95.051 -10.913 2.887 1.00 0.00 N ATOM 694 CA LEU A 44 95.484 -12.336 2.768 1.00 0.00 C ATOM 695 C LEU A 44 94.246 -13.233 2.744 1.00 0.00 C ATOM 696 O LEU A 44 93.502 -13.305 3.702 1.00 0.00 O ATOM 697 CB LEU A 44 96.363 -12.705 3.967 1.00 0.00 C ATOM 698 CG LEU A 44 96.742 -14.190 3.895 1.00 0.00 C ATOM 699 CD1 LEU A 44 97.999 -14.435 4.736 1.00 0.00 C ATOM 700 CD2 LEU A 44 95.593 -15.055 4.435 1.00 0.00 C ATOM 0 H LEU A 44 94.547 -10.687 3.744 1.00 0.00 H new ATOM 0 HA LEU A 44 96.055 -12.473 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 44 97.263 -12.090 3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 44 95.831 -12.500 4.896 1.00 0.00 H new ATOM 0 HG LEU A 44 96.933 -14.459 2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 44 98.270 -15.490 4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 44 98.819 -13.831 4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 44 97.803 -14.159 5.772 1.00 0.00 H new ATOM 0 HD21 LEU A 44 95.872 -16.107 4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 44 95.392 -14.787 5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 44 94.698 -14.885 3.837 1.00 0.00 H new ATOM 712 N LYS A 45 94.014 -13.910 1.654 1.00 0.00 N ATOM 713 CA LYS A 45 92.815 -14.795 1.573 1.00 0.00 C ATOM 714 C LYS A 45 93.174 -16.200 2.063 1.00 0.00 C ATOM 715 O LYS A 45 94.266 -16.686 1.847 1.00 0.00 O ATOM 716 CB LYS A 45 92.331 -14.868 0.124 1.00 0.00 C ATOM 717 CG LYS A 45 91.080 -15.745 0.049 1.00 0.00 C ATOM 718 CD LYS A 45 90.405 -15.560 -1.311 1.00 0.00 C ATOM 719 CE LYS A 45 88.997 -16.154 -1.269 1.00 0.00 C ATOM 720 NZ LYS A 45 88.076 -15.200 -0.587 1.00 0.00 N ATOM 0 H LYS A 45 94.599 -13.890 0.819 1.00 0.00 H new ATOM 0 HA LYS A 45 92.024 -14.386 2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 45 92.110 -13.868 -0.248 1.00 0.00 H new ATOM 0 HB3 LYS A 45 93.115 -15.279 -0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 45 91.348 -16.792 0.194 1.00 0.00 H new ATOM 0 HG3 LYS A 45 90.389 -15.479 0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 45 90.356 -14.501 -1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 45 90.993 -16.046 -2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 45 88.645 -16.355 -2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 45 89.008 -17.107 -0.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 87.093 -15.512 -0.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 88.296 -15.172 0.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 88.196 -14.250 -0.994 1.00 0.00 H new ATOM 734 N THR A 46 92.258 -16.858 2.719 1.00 0.00 N ATOM 735 CA THR A 46 92.540 -18.234 3.221 1.00 0.00 C ATOM 736 C THR A 46 91.271 -19.082 3.097 1.00 0.00 C ATOM 737 O THR A 46 90.260 -18.787 3.704 1.00 0.00 O ATOM 738 CB THR A 46 92.968 -18.161 4.690 1.00 0.00 C ATOM 739 OG1 THR A 46 94.055 -17.256 4.819 1.00 0.00 O ATOM 740 CG2 THR A 46 93.398 -19.549 5.170 1.00 0.00 C ATOM 0 H THR A 46 91.325 -16.502 2.930 1.00 0.00 H new ATOM 0 HA THR A 46 93.340 -18.685 2.634 1.00 0.00 H new ATOM 0 HB THR A 46 92.131 -17.814 5.295 1.00 0.00 H new ATOM 0 HG1 THR A 46 94.897 -17.757 4.834 1.00 0.00 H new ATOM 0 HG21 THR A 46 93.702 -19.494 6.215 1.00 0.00 H new ATOM 0 HG22 THR A 46 92.563 -20.243 5.071 1.00 0.00 H new ATOM 0 HG23 THR A 46 94.235 -19.899 4.566 1.00 0.00 H new ATOM 748 N VAL A 47 91.308 -20.128 2.312 1.00 0.00 N ATOM 749 CA VAL A 47 90.101 -20.979 2.150 1.00 0.00 C ATOM 750 C VAL A 47 90.477 -22.436 2.396 1.00 0.00 C ATOM 751 O VAL A 47 91.635 -22.782 2.461 1.00 0.00 O ATOM 752 CB VAL A 47 89.572 -20.840 0.729 1.00 0.00 C ATOM 753 CG1 VAL A 47 88.044 -20.942 0.734 1.00 0.00 C ATOM 754 CG2 VAL A 47 89.992 -19.486 0.156 1.00 0.00 C ATOM 0 H VAL A 47 92.124 -20.426 1.778 1.00 0.00 H new ATOM 0 HA VAL A 47 89.337 -20.666 2.862 1.00 0.00 H new ATOM 0 HB VAL A 47 89.984 -21.639 0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 47 87.669 -20.842 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 47 87.745 -21.910 1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 47 87.628 -20.147 1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 47 89.613 -19.388 -0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 47 89.583 -18.687 0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 47 91.080 -19.417 0.146 1.00 0.00 H new ATOM 764 N GLN A 48 89.505 -23.288 2.524 1.00 0.00 N ATOM 765 CA GLN A 48 89.796 -24.731 2.759 1.00 0.00 C ATOM 766 C GLN A 48 89.753 -25.483 1.427 1.00 0.00 C ATOM 767 O GLN A 48 88.790 -25.408 0.691 1.00 0.00 O ATOM 768 CB GLN A 48 88.747 -25.314 3.708 1.00 0.00 C ATOM 769 CG GLN A 48 89.183 -26.710 4.156 1.00 0.00 C ATOM 770 CD GLN A 48 88.140 -27.287 5.116 1.00 0.00 C ATOM 771 OE1 GLN A 48 88.071 -26.893 6.264 1.00 0.00 O ATOM 772 NE2 GLN A 48 87.320 -28.209 4.692 1.00 0.00 N ATOM 0 H GLN A 48 88.514 -23.049 2.476 1.00 0.00 H new ATOM 0 HA GLN A 48 90.786 -24.835 3.203 1.00 0.00 H new ATOM 0 HB2 GLN A 48 88.624 -24.664 4.575 1.00 0.00 H new ATOM 0 HB3 GLN A 48 87.779 -25.366 3.209 1.00 0.00 H new ATOM 0 HG2 GLN A 48 89.296 -27.363 3.290 1.00 0.00 H new ATOM 0 HG3 GLN A 48 90.155 -26.659 4.646 1.00 0.00 H new ATOM 0 HE21 GLN A 48 87.378 -28.539 3.729 1.00 0.00 H new ATOM 0 HE22 GLN A 48 86.621 -28.599 5.324 1.00 0.00 H new ATOM 781 N LEU A 49 90.791 -26.211 1.110 1.00 0.00 N ATOM 782 CA LEU A 49 90.809 -26.967 -0.174 1.00 0.00 C ATOM 783 C LEU A 49 90.245 -28.370 0.052 1.00 0.00 C ATOM 784 O LEU A 49 90.087 -28.814 1.172 1.00 0.00 O ATOM 785 CB LEU A 49 92.249 -27.077 -0.681 1.00 0.00 C ATOM 786 CG LEU A 49 92.735 -25.705 -1.156 1.00 0.00 C ATOM 787 CD1 LEU A 49 94.248 -25.749 -1.381 1.00 0.00 C ATOM 788 CD2 LEU A 49 92.035 -25.337 -2.469 1.00 0.00 C ATOM 0 H LEU A 49 91.627 -26.314 1.686 1.00 0.00 H new ATOM 0 HA LEU A 49 90.201 -26.443 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 49 92.897 -27.448 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 49 92.303 -27.796 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 49 92.501 -24.957 -0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.594 -24.772 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 49 94.747 -26.008 -0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 49 94.482 -26.499 -2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 49 92.382 -24.360 -2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 49 92.267 -26.085 -3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 49 90.957 -25.304 -2.310 1.00 0.00 H new ATOM 800 N ARG A 50 89.940 -29.077 -1.003 1.00 0.00 N ATOM 801 CA ARG A 50 89.390 -30.453 -0.843 1.00 0.00 C ATOM 802 C ARG A 50 90.204 -31.201 0.213 1.00 0.00 C ATOM 803 O ARG A 50 89.678 -31.659 1.207 1.00 0.00 O ATOM 804 CB ARG A 50 89.477 -31.201 -2.176 1.00 0.00 C ATOM 805 CG ARG A 50 89.217 -30.228 -3.332 1.00 0.00 C ATOM 806 CD ARG A 50 89.100 -31.004 -4.647 1.00 0.00 C ATOM 807 NE ARG A 50 87.905 -30.527 -5.398 1.00 0.00 N ATOM 808 CZ ARG A 50 86.712 -30.918 -5.041 1.00 0.00 C ATOM 809 NH1 ARG A 50 85.665 -30.499 -5.697 1.00 0.00 N ATOM 810 NH2 ARG A 50 86.566 -31.730 -4.029 1.00 0.00 N ATOM 0 H ARG A 50 90.048 -28.761 -1.967 1.00 0.00 H new ATOM 0 HA ARG A 50 88.347 -30.394 -0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 50 90.461 -31.656 -2.285 1.00 0.00 H new ATOM 0 HB3 ARG A 50 88.747 -32.011 -2.198 1.00 0.00 H new ATOM 0 HG2 ARG A 50 88.301 -29.667 -3.148 1.00 0.00 H new ATOM 0 HG3 ARG A 50 90.028 -29.503 -3.398 1.00 0.00 H new ATOM 0 HD2 ARG A 50 90.000 -30.864 -5.246 1.00 0.00 H new ATOM 0 HD3 ARG A 50 89.014 -32.072 -4.446 1.00 0.00 H new ATOM 0 HE ARG A 50 88.019 -29.895 -6.191 1.00 0.00 H new ATOM 0 HH11 ARG A 50 85.779 -29.866 -6.489 1.00 0.00 H new ATOM 0 HH12 ARG A 50 84.733 -30.804 -5.418 1.00 0.00 H new ATOM 0 HH21 ARG A 50 87.384 -32.059 -3.517 1.00 0.00 H new ATOM 0 HH22 ARG A 50 85.633 -32.035 -3.750 1.00 0.00 H new ATOM 824 N ASN A 51 91.487 -31.324 0.007 1.00 0.00 N ATOM 825 CA ASN A 51 92.336 -32.037 1.001 1.00 0.00 C ATOM 826 C ASN A 51 92.368 -31.234 2.303 1.00 0.00 C ATOM 827 O ASN A 51 92.669 -31.756 3.358 1.00 0.00 O ATOM 828 CB ASN A 51 93.757 -32.178 0.450 1.00 0.00 C ATOM 829 CG ASN A 51 94.455 -33.355 1.132 1.00 0.00 C ATOM 830 OD1 ASN A 51 95.533 -33.206 1.675 1.00 0.00 O ATOM 831 ND2 ASN A 51 93.884 -34.529 1.127 1.00 0.00 N ATOM 0 H ASN A 51 91.983 -30.961 -0.807 1.00 0.00 H new ATOM 0 HA ASN A 51 91.924 -33.028 1.193 1.00 0.00 H new ATOM 0 HB2 ASN A 51 93.726 -32.335 -0.628 1.00 0.00 H new ATOM 0 HB3 ASN A 51 94.318 -31.259 0.622 1.00 0.00 H new ATOM 0 HD21 ASN A 51 94.342 -35.321 1.578 1.00 0.00 H new ATOM 0 HD22 ASN A 51 92.980 -34.654 0.672 1.00 0.00 H new ATOM 838 N GLY A 52 92.059 -29.968 2.235 1.00 0.00 N ATOM 839 CA GLY A 52 92.068 -29.130 3.467 1.00 0.00 C ATOM 840 C GLY A 52 93.458 -28.523 3.666 1.00 0.00 C ATOM 841 O GLY A 52 93.936 -28.396 4.776 1.00 0.00 O ATOM 0 H GLY A 52 91.801 -29.478 1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 52 91.323 -28.339 3.386 1.00 0.00 H new ATOM 0 HA3 GLY A 52 91.797 -29.735 4.332 1.00 0.00 H new ATOM 845 N ASN A 53 94.112 -28.142 2.602 1.00 0.00 N ATOM 846 CA ASN A 53 95.468 -27.543 2.741 1.00 0.00 C ATOM 847 C ASN A 53 95.339 -26.036 2.929 1.00 0.00 C ATOM 848 O ASN A 53 96.292 -25.294 2.809 1.00 0.00 O ATOM 849 CB ASN A 53 96.296 -27.843 1.489 1.00 0.00 C ATOM 850 CG ASN A 53 97.097 -29.129 1.696 1.00 0.00 C ATOM 851 OD1 ASN A 53 97.931 -29.204 2.577 1.00 0.00 O ATOM 852 ND2 ASN A 53 96.878 -30.153 0.916 1.00 0.00 N ATOM 0 H ASN A 53 93.766 -28.220 1.646 1.00 0.00 H new ATOM 0 HA ASN A 53 95.968 -27.973 3.609 1.00 0.00 H new ATOM 0 HB2 ASN A 53 95.641 -27.947 0.624 1.00 0.00 H new ATOM 0 HB3 ASN A 53 96.971 -27.013 1.280 1.00 0.00 H new ATOM 0 HD21 ASN A 53 97.407 -31.016 1.046 1.00 0.00 H new ATOM 0 HD22 ASN A 53 96.178 -30.090 0.177 1.00 0.00 H new ATOM 859 N LEU A 54 94.159 -25.590 3.223 1.00 0.00 N ATOM 860 CA LEU A 54 93.924 -24.139 3.427 1.00 0.00 C ATOM 861 C LEU A 54 94.624 -23.352 2.324 1.00 0.00 C ATOM 862 O LEU A 54 95.813 -23.099 2.377 1.00 0.00 O ATOM 863 CB LEU A 54 94.459 -23.717 4.797 1.00 0.00 C ATOM 864 CG LEU A 54 93.358 -23.887 5.851 1.00 0.00 C ATOM 865 CD1 LEU A 54 93.907 -23.503 7.226 1.00 0.00 C ATOM 866 CD2 LEU A 54 92.164 -22.983 5.508 1.00 0.00 C ATOM 0 H LEU A 54 93.332 -26.177 3.333 1.00 0.00 H new ATOM 0 HA LEU A 54 92.854 -23.933 3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 54 95.327 -24.321 5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 54 94.790 -22.679 4.766 1.00 0.00 H new ATOM 0 HG LEU A 54 93.030 -24.926 5.864 1.00 0.00 H new ATOM 0 HD11 LEU A 54 93.126 -23.623 7.976 1.00 0.00 H new ATOM 0 HD12 LEU A 54 94.750 -24.147 7.474 1.00 0.00 H new ATOM 0 HD13 LEU A 54 94.237 -22.464 7.209 1.00 0.00 H new ATOM 0 HD21 LEU A 54 91.385 -23.108 6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 54 92.488 -21.943 5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 54 91.770 -23.256 4.529 1.00 0.00 H new ATOM 878 N GLN A 55 93.892 -22.964 1.319 1.00 0.00 N ATOM 879 CA GLN A 55 94.502 -22.196 0.196 1.00 0.00 C ATOM 880 C GLN A 55 94.791 -20.764 0.648 1.00 0.00 C ATOM 881 O GLN A 55 93.890 -19.977 0.861 1.00 0.00 O ATOM 882 CB GLN A 55 93.533 -22.167 -0.988 1.00 0.00 C ATOM 883 CG GLN A 55 94.044 -21.184 -2.043 1.00 0.00 C ATOM 884 CD GLN A 55 93.275 -21.388 -3.349 1.00 0.00 C ATOM 885 OE1 GLN A 55 92.717 -22.442 -3.582 1.00 0.00 O ATOM 886 NE2 GLN A 55 93.220 -20.417 -4.218 1.00 0.00 N ATOM 0 H GLN A 55 92.893 -23.146 1.225 1.00 0.00 H new ATOM 0 HA GLN A 55 95.433 -22.676 -0.104 1.00 0.00 H new ATOM 0 HB2 GLN A 55 93.440 -23.164 -1.419 1.00 0.00 H new ATOM 0 HB3 GLN A 55 92.539 -21.871 -0.651 1.00 0.00 H new ATOM 0 HG2 GLN A 55 93.919 -20.160 -1.691 1.00 0.00 H new ATOM 0 HG3 GLN A 55 95.110 -21.336 -2.210 1.00 0.00 H new ATOM 0 HE21 GLN A 55 93.688 -19.532 -4.024 1.00 0.00 H new ATOM 0 HE22 GLN A 55 92.709 -20.543 -5.092 1.00 0.00 H new ATOM 895 N TYR A 56 96.042 -20.416 0.794 1.00 0.00 N ATOM 896 CA TYR A 56 96.381 -19.034 1.229 1.00 0.00 C ATOM 897 C TYR A 56 96.685 -18.171 0.002 1.00 0.00 C ATOM 898 O TYR A 56 97.658 -18.384 -0.694 1.00 0.00 O ATOM 899 CB TYR A 56 97.614 -19.068 2.133 1.00 0.00 C ATOM 900 CG TYR A 56 97.321 -19.898 3.359 1.00 0.00 C ATOM 901 CD1 TYR A 56 96.906 -19.277 4.543 1.00 0.00 C ATOM 902 CD2 TYR A 56 97.470 -21.289 3.315 1.00 0.00 C ATOM 903 CE1 TYR A 56 96.640 -20.045 5.682 1.00 0.00 C ATOM 904 CE2 TYR A 56 97.203 -22.058 4.453 1.00 0.00 C ATOM 905 CZ TYR A 56 96.787 -21.437 5.636 1.00 0.00 C ATOM 906 OH TYR A 56 96.525 -22.195 6.759 1.00 0.00 O ATOM 0 H TYR A 56 96.841 -21.029 0.631 1.00 0.00 H new ATOM 0 HA TYR A 56 95.537 -18.613 1.775 1.00 0.00 H new ATOM 0 HB2 TYR A 56 98.462 -19.487 1.592 1.00 0.00 H new ATOM 0 HB3 TYR A 56 97.891 -18.055 2.425 1.00 0.00 H new ATOM 0 HD1 TYR A 56 96.791 -18.204 4.577 1.00 0.00 H new ATOM 0 HD2 TYR A 56 97.791 -21.769 2.402 1.00 0.00 H new ATOM 0 HE1 TYR A 56 96.322 -19.565 6.596 1.00 0.00 H new ATOM 0 HE2 TYR A 56 97.318 -23.131 4.418 1.00 0.00 H new ATOM 0 HH TYR A 56 96.675 -23.142 6.557 1.00 0.00 H new ATOM 916 N ASP A 57 95.866 -17.189 -0.257 1.00 0.00 N ATOM 917 CA ASP A 57 96.109 -16.297 -1.424 1.00 0.00 C ATOM 918 C ASP A 57 96.468 -14.905 -0.902 1.00 0.00 C ATOM 919 O ASP A 57 96.111 -14.540 0.200 1.00 0.00 O ATOM 920 CB ASP A 57 94.838 -16.219 -2.285 1.00 0.00 C ATOM 921 CG ASP A 57 95.155 -16.670 -3.712 1.00 0.00 C ATOM 922 OD1 ASP A 57 95.092 -17.862 -3.964 1.00 0.00 O ATOM 923 OD2 ASP A 57 95.451 -15.815 -4.531 1.00 0.00 O ATOM 0 H ASP A 57 95.036 -16.966 0.292 1.00 0.00 H new ATOM 0 HA ASP A 57 96.924 -16.687 -2.034 1.00 0.00 H new ATOM 0 HB2 ASP A 57 94.058 -16.850 -1.858 1.00 0.00 H new ATOM 0 HB3 ASP A 57 94.454 -15.199 -2.292 1.00 0.00 H new ATOM 928 N LEU A 58 97.174 -14.128 -1.674 1.00 0.00 N ATOM 929 CA LEU A 58 97.554 -12.766 -1.199 1.00 0.00 C ATOM 930 C LEU A 58 97.198 -11.728 -2.265 1.00 0.00 C ATOM 931 O LEU A 58 97.485 -11.897 -3.435 1.00 0.00 O ATOM 932 CB LEU A 58 99.058 -12.724 -0.930 1.00 0.00 C ATOM 933 CG LEU A 58 99.360 -13.414 0.404 1.00 0.00 C ATOM 934 CD1 LEU A 58 100.768 -14.014 0.368 1.00 0.00 C ATOM 935 CD2 LEU A 58 99.273 -12.392 1.538 1.00 0.00 C ATOM 0 H LEU A 58 97.503 -14.373 -2.608 1.00 0.00 H new ATOM 0 HA LEU A 58 97.011 -12.540 -0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 58 99.596 -13.220 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.404 -11.691 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 58 98.633 -14.208 0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 58 100.979 -14.504 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 58 100.832 -14.744 -0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 58 101.497 -13.222 0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 58 99.488 -12.883 2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.999 -11.597 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 58 98.270 -11.967 1.568 1.00 0.00 H new ATOM 947 N HIS A 59 96.578 -10.652 -1.866 1.00 0.00 N ATOM 948 CA HIS A 59 96.204 -9.595 -2.847 1.00 0.00 C ATOM 949 C HIS A 59 96.601 -8.228 -2.285 1.00 0.00 C ATOM 950 O HIS A 59 96.077 -7.783 -1.285 1.00 0.00 O ATOM 951 CB HIS A 59 94.691 -9.636 -3.083 1.00 0.00 C ATOM 952 CG HIS A 59 94.170 -11.014 -2.777 1.00 0.00 C ATOM 953 ND1 HIS A 59 93.462 -11.762 -3.707 1.00 0.00 N ATOM 954 CD2 HIS A 59 94.248 -11.796 -1.649 1.00 0.00 C ATOM 955 CE1 HIS A 59 93.146 -12.936 -3.129 1.00 0.00 C ATOM 956 NE2 HIS A 59 93.602 -13.004 -1.878 1.00 0.00 N ATOM 0 H HIS A 59 96.314 -10.459 -0.900 1.00 0.00 H new ATOM 0 HA HIS A 59 96.721 -9.765 -3.791 1.00 0.00 H new ATOM 0 HB2 HIS A 59 94.194 -8.900 -2.451 1.00 0.00 H new ATOM 0 HB3 HIS A 59 94.467 -9.373 -4.117 1.00 0.00 H new ATOM 0 HD1 HIS A 59 93.224 -11.474 -4.656 1.00 0.00 H new ATOM 0 HD2 HIS A 59 94.736 -11.515 -0.728 1.00 0.00 H new ATOM 0 HE1 HIS A 59 92.592 -13.724 -3.618 1.00 0.00 H new ATOM 964 N TYR A 60 97.525 -7.557 -2.920 1.00 0.00 N ATOM 965 CA TYR A 60 97.949 -6.220 -2.415 1.00 0.00 C ATOM 966 C TYR A 60 97.255 -5.128 -3.233 1.00 0.00 C ATOM 967 O TYR A 60 97.409 -5.047 -4.436 1.00 0.00 O ATOM 968 CB TYR A 60 99.472 -6.073 -2.537 1.00 0.00 C ATOM 969 CG TYR A 60 100.028 -7.165 -3.422 1.00 0.00 C ATOM 970 CD1 TYR A 60 100.689 -6.831 -4.609 1.00 0.00 C ATOM 971 CD2 TYR A 60 99.885 -8.509 -3.055 1.00 0.00 C ATOM 972 CE1 TYR A 60 101.206 -7.838 -5.431 1.00 0.00 C ATOM 973 CE2 TYR A 60 100.402 -9.517 -3.876 1.00 0.00 C ATOM 974 CZ TYR A 60 101.063 -9.182 -5.064 1.00 0.00 C ATOM 975 OH TYR A 60 101.574 -10.176 -5.875 1.00 0.00 O ATOM 0 H TYR A 60 98.002 -7.876 -3.763 1.00 0.00 H new ATOM 0 HA TYR A 60 97.669 -6.123 -1.366 1.00 0.00 H new ATOM 0 HB2 TYR A 60 99.719 -5.096 -2.952 1.00 0.00 H new ATOM 0 HB3 TYR A 60 99.931 -6.125 -1.550 1.00 0.00 H new ATOM 0 HD1 TYR A 60 100.800 -5.794 -4.891 1.00 0.00 H new ATOM 0 HD2 TYR A 60 99.376 -8.767 -2.138 1.00 0.00 H new ATOM 0 HE1 TYR A 60 101.715 -7.579 -6.348 1.00 0.00 H new ATOM 0 HE2 TYR A 60 100.291 -10.553 -3.593 1.00 0.00 H new ATOM 0 HH TYR A 60 102.542 -10.057 -5.968 1.00 0.00 H new ATOM 985 N TRP A 61 96.492 -4.288 -2.590 1.00 0.00 N ATOM 986 CA TRP A 61 95.786 -3.203 -3.328 1.00 0.00 C ATOM 987 C TRP A 61 96.639 -1.933 -3.310 1.00 0.00 C ATOM 988 O TRP A 61 97.058 -1.468 -2.269 1.00 0.00 O ATOM 989 CB TRP A 61 94.441 -2.922 -2.654 1.00 0.00 C ATOM 990 CG TRP A 61 93.501 -2.314 -3.645 1.00 0.00 C ATOM 991 CD1 TRP A 61 92.830 -2.999 -4.600 1.00 0.00 C ATOM 992 CD2 TRP A 61 93.117 -0.917 -3.797 1.00 0.00 C ATOM 993 NE1 TRP A 61 92.057 -2.110 -5.328 1.00 0.00 N ATOM 994 CE2 TRP A 61 92.201 -0.815 -4.870 1.00 0.00 C ATOM 995 CE3 TRP A 61 93.472 0.260 -3.114 1.00 0.00 C ATOM 996 CZ2 TRP A 61 91.656 0.412 -5.253 1.00 0.00 C ATOM 997 CZ3 TRP A 61 92.924 1.496 -3.495 1.00 0.00 C ATOM 998 CH2 TRP A 61 92.019 1.571 -4.562 1.00 0.00 C ATOM 0 H TRP A 61 96.327 -4.306 -1.584 1.00 0.00 H new ATOM 0 HA TRP A 61 95.620 -3.514 -4.359 1.00 0.00 H new ATOM 0 HB2 TRP A 61 94.021 -3.847 -2.259 1.00 0.00 H new ATOM 0 HB3 TRP A 61 94.580 -2.248 -1.809 1.00 0.00 H new ATOM 0 HD1 TRP A 61 92.888 -4.064 -4.767 1.00 0.00 H new ATOM 0 HE1 TRP A 61 91.455 -2.379 -6.107 1.00 0.00 H new ATOM 0 HE3 TRP A 61 94.170 0.213 -2.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 90.959 0.465 -6.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 93.202 2.394 -2.962 1.00 0.00 H new ATOM 0 HH2 TRP A 61 91.602 2.525 -4.850 1.00 0.00 H new ATOM 1009 N LEU A 62 96.897 -1.366 -4.458 1.00 0.00 N ATOM 1010 CA LEU A 62 97.723 -0.126 -4.511 1.00 0.00 C ATOM 1011 C LEU A 62 96.820 1.074 -4.806 1.00 0.00 C ATOM 1012 O LEU A 62 95.710 0.925 -5.278 1.00 0.00 O ATOM 1013 CB LEU A 62 98.771 -0.256 -5.618 1.00 0.00 C ATOM 1014 CG LEU A 62 99.271 -1.701 -5.684 1.00 0.00 C ATOM 1015 CD1 LEU A 62 100.315 -1.830 -6.794 1.00 0.00 C ATOM 1016 CD2 LEU A 62 99.905 -2.081 -4.343 1.00 0.00 C ATOM 0 H LEU A 62 96.571 -1.709 -5.362 1.00 0.00 H new ATOM 0 HA LEU A 62 98.222 0.018 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 62 98.340 0.035 -6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 62 99.604 0.419 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 62 98.433 -2.366 -5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 62 100.671 -2.859 -6.841 1.00 0.00 H new ATOM 0 HD12 LEU A 62 99.866 -1.557 -7.749 1.00 0.00 H new ATOM 0 HD13 LEU A 62 101.153 -1.165 -6.584 1.00 0.00 H new ATOM 0 HD21 LEU A 62 100.262 -3.110 -4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 62 100.743 -1.415 -4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 62 99.163 -1.989 -3.550 1.00 0.00 H new ATOM 1028 N GLY A 63 97.286 2.262 -4.532 1.00 0.00 N ATOM 1029 CA GLY A 63 96.456 3.471 -4.795 1.00 0.00 C ATOM 1030 C GLY A 63 97.047 4.251 -5.971 1.00 0.00 C ATOM 1031 O GLY A 63 98.237 4.223 -6.213 1.00 0.00 O ATOM 0 H GLY A 63 98.208 2.447 -4.137 1.00 0.00 H new ATOM 0 HA2 GLY A 63 95.430 3.179 -5.018 1.00 0.00 H new ATOM 0 HA3 GLY A 63 96.422 4.102 -3.907 1.00 0.00 H new ATOM 1035 N ASN A 64 96.224 4.950 -6.705 1.00 0.00 N ATOM 1036 CA ASN A 64 96.735 5.732 -7.865 1.00 0.00 C ATOM 1037 C ASN A 64 97.575 6.906 -7.358 1.00 0.00 C ATOM 1038 O ASN A 64 98.282 7.546 -8.110 1.00 0.00 O ATOM 1039 CB ASN A 64 95.558 6.262 -8.686 1.00 0.00 C ATOM 1040 CG ASN A 64 94.401 6.613 -7.748 1.00 0.00 C ATOM 1041 OD1 ASN A 64 93.714 5.740 -7.258 1.00 0.00 O ATOM 1042 ND2 ASN A 64 94.155 7.866 -7.477 1.00 0.00 N ATOM 0 H ASN A 64 95.218 5.013 -6.550 1.00 0.00 H new ATOM 0 HA ASN A 64 97.351 5.088 -8.492 1.00 0.00 H new ATOM 0 HB2 ASN A 64 95.862 7.143 -9.252 1.00 0.00 H new ATOM 0 HB3 ASN A 64 95.239 5.513 -9.410 1.00 0.00 H new ATOM 0 HD21 ASN A 64 93.386 8.111 -6.854 1.00 0.00 H new ATOM 0 HD22 ASN A 64 94.732 8.600 -7.888 1.00 0.00 H new ATOM 1049 N GLU A 65 97.510 7.183 -6.086 1.00 0.00 N ATOM 1050 CA GLU A 65 98.309 8.301 -5.522 1.00 0.00 C ATOM 1051 C GLU A 65 99.426 7.704 -4.677 1.00 0.00 C ATOM 1052 O GLU A 65 99.920 8.312 -3.748 1.00 0.00 O ATOM 1053 CB GLU A 65 97.412 9.186 -4.652 1.00 0.00 C ATOM 1054 CG GLU A 65 95.977 9.119 -5.173 1.00 0.00 C ATOM 1055 CD GLU A 65 95.161 10.268 -4.574 1.00 0.00 C ATOM 1056 OE1 GLU A 65 94.234 10.713 -5.230 1.00 0.00 O ATOM 1057 OE2 GLU A 65 95.479 10.681 -3.472 1.00 0.00 O ATOM 0 H GLU A 65 96.934 6.679 -5.411 1.00 0.00 H new ATOM 0 HA GLU A 65 98.729 8.911 -6.322 1.00 0.00 H new ATOM 0 HB2 GLU A 65 97.450 8.854 -3.615 1.00 0.00 H new ATOM 0 HB3 GLU A 65 97.770 10.215 -4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 65 95.971 9.183 -6.261 1.00 0.00 H new ATOM 0 HG3 GLU A 65 95.527 8.162 -4.908 1.00 0.00 H new ATOM 1064 N CYS A 66 99.823 6.507 -5.002 1.00 0.00 N ATOM 1065 CA CYS A 66 100.902 5.841 -4.249 1.00 0.00 C ATOM 1066 C CYS A 66 101.922 5.302 -5.240 1.00 0.00 C ATOM 1067 O CYS A 66 101.767 4.241 -5.811 1.00 0.00 O ATOM 1068 CB CYS A 66 100.320 4.691 -3.445 1.00 0.00 C ATOM 1069 SG CYS A 66 99.713 5.307 -1.855 1.00 0.00 S ATOM 0 H CYS A 66 99.435 5.959 -5.770 1.00 0.00 H new ATOM 0 HA CYS A 66 101.378 6.549 -3.570 1.00 0.00 H new ATOM 0 HB2 CYS A 66 99.507 4.222 -3.999 1.00 0.00 H new ATOM 0 HB3 CYS A 66 101.079 3.926 -3.284 1.00 0.00 H new ATOM 0 HG CYS A 66 100.286 6.441 -1.582 1.00 0.00 H new ATOM 1075 N SER A 67 102.952 6.040 -5.438 1.00 0.00 N ATOM 1076 CA SER A 67 104.020 5.621 -6.389 1.00 0.00 C ATOM 1077 C SER A 67 104.630 4.294 -5.931 1.00 0.00 C ATOM 1078 O SER A 67 104.134 3.651 -5.026 1.00 0.00 O ATOM 1079 CB SER A 67 105.109 6.693 -6.435 1.00 0.00 C ATOM 1080 OG SER A 67 104.507 7.978 -6.337 1.00 0.00 O ATOM 0 H SER A 67 103.115 6.936 -4.979 1.00 0.00 H new ATOM 0 HA SER A 67 103.589 5.495 -7.382 1.00 0.00 H new ATOM 0 HB2 SER A 67 105.815 6.546 -5.618 1.00 0.00 H new ATOM 0 HB3 SER A 67 105.675 6.613 -7.363 1.00 0.00 H new ATOM 0 HG SER A 67 105.202 8.668 -6.364 1.00 0.00 H new ATOM 1086 N GLN A 68 105.700 3.880 -6.551 1.00 0.00 N ATOM 1087 CA GLN A 68 106.345 2.595 -6.157 1.00 0.00 C ATOM 1088 C GLN A 68 106.897 2.710 -4.736 1.00 0.00 C ATOM 1089 O GLN A 68 107.179 1.722 -4.090 1.00 0.00 O ATOM 1090 CB GLN A 68 107.489 2.283 -7.125 1.00 0.00 C ATOM 1091 CG GLN A 68 106.927 1.609 -8.380 1.00 0.00 C ATOM 1092 CD GLN A 68 105.715 2.394 -8.883 1.00 0.00 C ATOM 1093 OE1 GLN A 68 104.665 1.829 -9.118 1.00 0.00 O ATOM 1094 NE2 GLN A 68 105.816 3.684 -9.059 1.00 0.00 N ATOM 0 H GLN A 68 106.157 4.377 -7.315 1.00 0.00 H new ATOM 0 HA GLN A 68 105.607 1.794 -6.193 1.00 0.00 H new ATOM 0 HB2 GLN A 68 108.011 3.201 -7.395 1.00 0.00 H new ATOM 0 HB3 GLN A 68 108.218 1.631 -6.645 1.00 0.00 H new ATOM 0 HG2 GLN A 68 107.692 1.565 -9.155 1.00 0.00 H new ATOM 0 HG3 GLN A 68 106.640 0.581 -8.156 1.00 0.00 H new ATOM 0 HE21 GLN A 68 106.697 4.158 -8.862 1.00 0.00 H new ATOM 0 HE22 GLN A 68 105.014 4.217 -9.394 1.00 0.00 H new ATOM 1103 N ASP A 69 107.061 3.908 -4.243 1.00 0.00 N ATOM 1104 CA ASP A 69 107.598 4.075 -2.864 1.00 0.00 C ATOM 1105 C ASP A 69 106.628 3.454 -1.861 1.00 0.00 C ATOM 1106 O ASP A 69 106.976 2.558 -1.116 1.00 0.00 O ATOM 1107 CB ASP A 69 107.766 5.566 -2.558 1.00 0.00 C ATOM 1108 CG ASP A 69 109.095 6.058 -3.130 1.00 0.00 C ATOM 1109 OD1 ASP A 69 109.116 6.436 -4.291 1.00 0.00 O ATOM 1110 OD2 ASP A 69 110.072 6.052 -2.398 1.00 0.00 O ATOM 0 H ASP A 69 106.847 4.776 -4.735 1.00 0.00 H new ATOM 0 HA ASP A 69 108.565 3.578 -2.788 1.00 0.00 H new ATOM 0 HB2 ASP A 69 106.940 6.132 -2.990 1.00 0.00 H new ATOM 0 HB3 ASP A 69 107.738 5.732 -1.481 1.00 0.00 H new ATOM 1115 N GLU A 70 105.414 3.918 -1.837 1.00 0.00 N ATOM 1116 CA GLU A 70 104.419 3.351 -0.886 1.00 0.00 C ATOM 1117 C GLU A 70 104.170 1.887 -1.238 1.00 0.00 C ATOM 1118 O GLU A 70 104.165 1.021 -0.386 1.00 0.00 O ATOM 1119 CB GLU A 70 103.109 4.137 -0.981 1.00 0.00 C ATOM 1120 CG GLU A 70 103.176 5.356 -0.060 1.00 0.00 C ATOM 1121 CD GLU A 70 101.934 6.224 -0.269 1.00 0.00 C ATOM 1122 OE1 GLU A 70 101.118 6.283 0.636 1.00 0.00 O ATOM 1123 OE2 GLU A 70 101.821 6.815 -1.330 1.00 0.00 O ATOM 0 H GLU A 70 105.065 4.667 -2.435 1.00 0.00 H new ATOM 0 HA GLU A 70 104.802 3.422 0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 70 102.937 4.454 -2.009 1.00 0.00 H new ATOM 0 HB3 GLU A 70 102.270 3.501 -0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 70 103.238 5.036 0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 70 104.076 5.934 -0.270 1.00 0.00 H new ATOM 1130 N SER A 71 103.974 1.603 -2.494 1.00 0.00 N ATOM 1131 CA SER A 71 103.737 0.194 -2.909 1.00 0.00 C ATOM 1132 C SER A 71 105.003 -0.619 -2.640 1.00 0.00 C ATOM 1133 O SER A 71 104.954 -1.814 -2.424 1.00 0.00 O ATOM 1134 CB SER A 71 103.404 0.147 -4.401 1.00 0.00 C ATOM 1135 OG SER A 71 102.009 0.352 -4.576 1.00 0.00 O ATOM 0 H SER A 71 103.968 2.286 -3.251 1.00 0.00 H new ATOM 0 HA SER A 71 102.903 -0.223 -2.345 1.00 0.00 H new ATOM 0 HB2 SER A 71 103.966 0.913 -4.935 1.00 0.00 H new ATOM 0 HB3 SER A 71 103.698 -0.815 -4.821 1.00 0.00 H new ATOM 0 HG SER A 71 101.834 0.640 -5.496 1.00 0.00 H new ATOM 1141 N GLY A 72 106.140 0.024 -2.648 1.00 0.00 N ATOM 1142 CA GLY A 72 107.411 -0.708 -2.387 1.00 0.00 C ATOM 1143 C GLY A 72 107.412 -1.218 -0.947 1.00 0.00 C ATOM 1144 O GLY A 72 107.741 -2.358 -0.682 1.00 0.00 O ATOM 0 H GLY A 72 106.243 1.023 -2.824 1.00 0.00 H new ATOM 0 HA2 GLY A 72 107.513 -1.543 -3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 72 108.264 -0.050 -2.553 1.00 0.00 H new ATOM 1148 N ALA A 73 107.040 -0.386 -0.012 1.00 0.00 N ATOM 1149 CA ALA A 73 107.017 -0.829 1.411 1.00 0.00 C ATOM 1150 C ALA A 73 105.986 -1.944 1.575 1.00 0.00 C ATOM 1151 O ALA A 73 106.260 -2.981 2.146 1.00 0.00 O ATOM 1152 CB ALA A 73 106.645 0.350 2.310 1.00 0.00 C ATOM 0 H ALA A 73 106.752 0.579 -0.172 1.00 0.00 H new ATOM 0 HA ALA A 73 108.003 -1.199 1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 73 106.629 0.024 3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 73 107.381 1.145 2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 73 105.659 0.723 2.031 1.00 0.00 H new ATOM 1158 N ALA A 74 104.801 -1.739 1.074 1.00 0.00 N ATOM 1159 CA ALA A 74 103.750 -2.788 1.194 1.00 0.00 C ATOM 1160 C ALA A 74 104.215 -4.050 0.468 1.00 0.00 C ATOM 1161 O ALA A 74 104.012 -5.156 0.931 1.00 0.00 O ATOM 1162 CB ALA A 74 102.450 -2.285 0.563 1.00 0.00 C ATOM 0 H ALA A 74 104.514 -0.890 0.586 1.00 0.00 H new ATOM 0 HA ALA A 74 103.576 -3.013 2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 74 101.682 -3.053 0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 74 102.121 -1.382 1.078 1.00 0.00 H new ATOM 0 HB3 ALA A 74 102.620 -2.061 -0.490 1.00 0.00 H new ATOM 1168 N ALA A 75 104.841 -3.893 -0.665 1.00 0.00 N ATOM 1169 CA ALA A 75 105.322 -5.081 -1.423 1.00 0.00 C ATOM 1170 C ALA A 75 106.417 -5.785 -0.619 1.00 0.00 C ATOM 1171 O ALA A 75 106.414 -6.991 -0.470 1.00 0.00 O ATOM 1172 CB ALA A 75 105.888 -4.633 -2.772 1.00 0.00 C ATOM 0 H ALA A 75 105.040 -2.992 -1.099 1.00 0.00 H new ATOM 0 HA ALA A 75 104.492 -5.767 -1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 75 106.240 -5.503 -3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 75 105.109 -4.129 -3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 75 106.719 -3.947 -2.608 1.00 0.00 H new ATOM 1178 N ILE A 76 107.355 -5.043 -0.097 1.00 0.00 N ATOM 1179 CA ILE A 76 108.445 -5.674 0.698 1.00 0.00 C ATOM 1180 C ILE A 76 107.832 -6.578 1.767 1.00 0.00 C ATOM 1181 O ILE A 76 108.214 -7.723 1.919 1.00 0.00 O ATOM 1182 CB ILE A 76 109.284 -4.582 1.369 1.00 0.00 C ATOM 1183 CG1 ILE A 76 110.204 -3.937 0.328 1.00 0.00 C ATOM 1184 CG2 ILE A 76 110.132 -5.201 2.482 1.00 0.00 C ATOM 1185 CD1 ILE A 76 110.854 -2.688 0.929 1.00 0.00 C ATOM 0 H ILE A 76 107.413 -4.029 -0.187 1.00 0.00 H new ATOM 0 HA ILE A 76 109.082 -6.267 0.041 1.00 0.00 H new ATOM 0 HB ILE A 76 108.624 -3.825 1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 76 110.971 -4.645 0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 76 109.634 -3.671 -0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 76 110.729 -4.424 2.959 1.00 0.00 H new ATOM 0 HG22 ILE A 76 109.479 -5.663 3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 76 110.793 -5.957 2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 76 111.509 -2.227 0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 76 110.079 -1.978 1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 76 111.437 -2.968 1.806 1.00 0.00 H new ATOM 1197 N PHE A 77 106.881 -6.078 2.505 1.00 0.00 N ATOM 1198 CA PHE A 77 106.241 -6.910 3.562 1.00 0.00 C ATOM 1199 C PHE A 77 105.554 -8.112 2.913 1.00 0.00 C ATOM 1200 O PHE A 77 105.522 -9.195 3.463 1.00 0.00 O ATOM 1201 CB PHE A 77 105.205 -6.074 4.316 1.00 0.00 C ATOM 1202 CG PHE A 77 105.908 -5.144 5.275 1.00 0.00 C ATOM 1203 CD1 PHE A 77 105.803 -3.758 5.109 1.00 0.00 C ATOM 1204 CD2 PHE A 77 106.666 -5.668 6.330 1.00 0.00 C ATOM 1205 CE1 PHE A 77 106.456 -2.895 5.999 1.00 0.00 C ATOM 1206 CE2 PHE A 77 107.317 -4.805 7.219 1.00 0.00 C ATOM 1207 CZ PHE A 77 107.212 -3.420 7.053 1.00 0.00 C ATOM 0 H PHE A 77 106.519 -5.128 2.422 1.00 0.00 H new ATOM 0 HA PHE A 77 107.001 -7.258 4.261 1.00 0.00 H new ATOM 0 HB2 PHE A 77 104.603 -5.500 3.611 1.00 0.00 H new ATOM 0 HB3 PHE A 77 104.522 -6.726 4.860 1.00 0.00 H new ATOM 0 HD1 PHE A 77 105.219 -3.354 4.295 1.00 0.00 H new ATOM 0 HD2 PHE A 77 106.748 -6.737 6.457 1.00 0.00 H new ATOM 0 HE1 PHE A 77 106.376 -1.826 5.872 1.00 0.00 H new ATOM 0 HE2 PHE A 77 107.901 -5.208 8.033 1.00 0.00 H new ATOM 0 HZ PHE A 77 107.715 -2.755 7.739 1.00 0.00 H new ATOM 1217 N THR A 78 105.002 -7.930 1.743 1.00 0.00 N ATOM 1218 CA THR A 78 104.317 -9.062 1.059 1.00 0.00 C ATOM 1219 C THR A 78 105.358 -10.090 0.613 1.00 0.00 C ATOM 1220 O THR A 78 105.122 -11.283 0.648 1.00 0.00 O ATOM 1221 CB THR A 78 103.562 -8.535 -0.165 1.00 0.00 C ATOM 1222 OG1 THR A 78 103.066 -7.233 0.113 1.00 0.00 O ATOM 1223 CG2 THR A 78 102.395 -9.469 -0.488 1.00 0.00 C ATOM 0 H THR A 78 104.996 -7.047 1.233 1.00 0.00 H new ATOM 0 HA THR A 78 103.613 -9.532 1.746 1.00 0.00 H new ATOM 0 HB THR A 78 104.237 -8.493 -1.020 1.00 0.00 H new ATOM 0 HG1 THR A 78 103.812 -6.598 0.143 1.00 0.00 H new ATOM 0 HG21 THR A 78 101.858 -9.093 -1.359 1.00 0.00 H new ATOM 0 HG22 THR A 78 102.776 -10.468 -0.700 1.00 0.00 H new ATOM 0 HG23 THR A 78 101.717 -9.513 0.365 1.00 0.00 H new ATOM 1231 N VAL A 79 106.509 -9.639 0.193 1.00 0.00 N ATOM 1232 CA VAL A 79 107.563 -10.591 -0.258 1.00 0.00 C ATOM 1233 C VAL A 79 108.076 -11.390 0.940 1.00 0.00 C ATOM 1234 O VAL A 79 108.283 -12.585 0.860 1.00 0.00 O ATOM 1235 CB VAL A 79 108.719 -9.812 -0.885 1.00 0.00 C ATOM 1236 CG1 VAL A 79 109.803 -10.787 -1.346 1.00 0.00 C ATOM 1237 CG2 VAL A 79 108.203 -9.018 -2.088 1.00 0.00 C ATOM 0 H VAL A 79 106.765 -8.653 0.143 1.00 0.00 H new ATOM 0 HA VAL A 79 107.143 -11.274 -0.996 1.00 0.00 H new ATOM 0 HB VAL A 79 109.138 -9.127 -0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 79 110.627 -10.230 -1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 79 110.170 -11.354 -0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 79 109.386 -11.473 -2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 79 109.026 -8.462 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 79 107.785 -9.704 -2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 79 107.431 -8.322 -1.760 1.00 0.00 H new ATOM 1247 N GLN A 80 108.282 -10.742 2.050 1.00 0.00 N ATOM 1248 CA GLN A 80 108.779 -11.467 3.252 1.00 0.00 C ATOM 1249 C GLN A 80 107.747 -12.514 3.672 1.00 0.00 C ATOM 1250 O GLN A 80 108.021 -13.700 3.692 1.00 0.00 O ATOM 1251 CB GLN A 80 108.996 -10.473 4.395 1.00 0.00 C ATOM 1252 CG GLN A 80 110.193 -9.577 4.072 1.00 0.00 C ATOM 1253 CD GLN A 80 110.515 -8.698 5.282 1.00 0.00 C ATOM 1254 OE1 GLN A 80 111.589 -8.789 5.843 1.00 0.00 O ATOM 1255 NE2 GLN A 80 109.626 -7.845 5.711 1.00 0.00 N ATOM 0 H GLN A 80 108.128 -9.742 2.178 1.00 0.00 H new ATOM 0 HA GLN A 80 109.723 -11.959 3.018 1.00 0.00 H new ATOM 0 HB2 GLN A 80 108.102 -9.866 4.538 1.00 0.00 H new ATOM 0 HB3 GLN A 80 109.170 -11.008 5.328 1.00 0.00 H new ATOM 0 HG2 GLN A 80 111.058 -10.187 3.812 1.00 0.00 H new ATOM 0 HG3 GLN A 80 109.971 -8.954 3.206 1.00 0.00 H new ATOM 0 HE21 GLN A 80 108.724 -7.768 5.240 1.00 0.00 H new ATOM 0 HE22 GLN A 80 109.833 -7.255 6.517 1.00 0.00 H new ATOM 1264 N LEU A 81 106.558 -12.089 4.001 1.00 0.00 N ATOM 1265 CA LEU A 81 105.513 -13.066 4.411 1.00 0.00 C ATOM 1266 C LEU A 81 105.399 -14.147 3.336 1.00 0.00 C ATOM 1267 O LEU A 81 105.060 -15.280 3.615 1.00 0.00 O ATOM 1268 CB LEU A 81 104.171 -12.340 4.586 1.00 0.00 C ATOM 1269 CG LEU A 81 103.370 -12.375 3.278 1.00 0.00 C ATOM 1270 CD1 LEU A 81 102.671 -13.735 3.127 1.00 0.00 C ATOM 1271 CD2 LEU A 81 102.316 -11.262 3.297 1.00 0.00 C ATOM 0 H LEU A 81 106.267 -11.111 4.003 1.00 0.00 H new ATOM 0 HA LEU A 81 105.783 -13.529 5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 81 103.597 -12.811 5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 81 104.346 -11.307 4.886 1.00 0.00 H new ATOM 0 HG LEU A 81 104.049 -12.226 2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 81 102.105 -13.752 2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 81 103.418 -14.528 3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 81 101.994 -13.891 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 81 101.746 -11.285 2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 81 101.642 -11.413 4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 81 102.810 -10.295 3.396 1.00 0.00 H new ATOM 1283 N ASP A 82 105.687 -13.809 2.107 1.00 0.00 N ATOM 1284 CA ASP A 82 105.603 -14.823 1.021 1.00 0.00 C ATOM 1285 C ASP A 82 106.694 -15.870 1.239 1.00 0.00 C ATOM 1286 O ASP A 82 106.418 -17.044 1.373 1.00 0.00 O ATOM 1287 CB ASP A 82 105.805 -14.143 -0.335 1.00 0.00 C ATOM 1288 CG ASP A 82 105.515 -15.144 -1.456 1.00 0.00 C ATOM 1289 OD1 ASP A 82 105.561 -16.333 -1.187 1.00 0.00 O ATOM 1290 OD2 ASP A 82 105.255 -14.705 -2.563 1.00 0.00 O ATOM 0 H ASP A 82 105.976 -12.877 1.811 1.00 0.00 H new ATOM 0 HA ASP A 82 104.623 -15.301 1.036 1.00 0.00 H new ATOM 0 HB2 ASP A 82 105.144 -13.280 -0.423 1.00 0.00 H new ATOM 0 HB3 ASP A 82 106.827 -13.772 -0.419 1.00 0.00 H new ATOM 1295 N ASP A 83 107.931 -15.456 1.290 1.00 0.00 N ATOM 1296 CA ASP A 83 109.024 -16.438 1.514 1.00 0.00 C ATOM 1297 C ASP A 83 108.610 -17.377 2.643 1.00 0.00 C ATOM 1298 O ASP A 83 108.898 -18.557 2.624 1.00 0.00 O ATOM 1299 CB ASP A 83 110.308 -15.700 1.901 1.00 0.00 C ATOM 1300 CG ASP A 83 110.778 -14.840 0.727 1.00 0.00 C ATOM 1301 OD1 ASP A 83 111.538 -13.914 0.963 1.00 0.00 O ATOM 1302 OD2 ASP A 83 110.370 -15.119 -0.388 1.00 0.00 O ATOM 0 H ASP A 83 108.229 -14.486 1.187 1.00 0.00 H new ATOM 0 HA ASP A 83 109.206 -17.008 0.603 1.00 0.00 H new ATOM 0 HB2 ASP A 83 110.130 -15.074 2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 83 111.083 -16.416 2.174 1.00 0.00 H new ATOM 1307 N TYR A 84 107.922 -16.860 3.623 1.00 0.00 N ATOM 1308 CA TYR A 84 107.470 -17.719 4.750 1.00 0.00 C ATOM 1309 C TYR A 84 106.318 -18.602 4.267 1.00 0.00 C ATOM 1310 O TYR A 84 106.144 -19.716 4.717 1.00 0.00 O ATOM 1311 CB TYR A 84 107.000 -16.834 5.910 1.00 0.00 C ATOM 1312 CG TYR A 84 106.073 -17.616 6.812 1.00 0.00 C ATOM 1313 CD1 TYR A 84 106.405 -18.919 7.202 1.00 0.00 C ATOM 1314 CD2 TYR A 84 104.880 -17.036 7.258 1.00 0.00 C ATOM 1315 CE1 TYR A 84 105.545 -19.641 8.037 1.00 0.00 C ATOM 1316 CE2 TYR A 84 104.019 -17.757 8.094 1.00 0.00 C ATOM 1317 CZ TYR A 84 104.352 -19.059 8.483 1.00 0.00 C ATOM 1318 OH TYR A 84 103.504 -19.772 9.308 1.00 0.00 O ATOM 0 H TYR A 84 107.654 -15.878 3.691 1.00 0.00 H new ATOM 0 HA TYR A 84 108.292 -18.347 5.094 1.00 0.00 H new ATOM 0 HB2 TYR A 84 107.859 -16.478 6.478 1.00 0.00 H new ATOM 0 HB3 TYR A 84 106.487 -15.954 5.522 1.00 0.00 H new ATOM 0 HD1 TYR A 84 107.325 -19.367 6.858 1.00 0.00 H new ATOM 0 HD2 TYR A 84 104.623 -16.031 6.957 1.00 0.00 H new ATOM 0 HE1 TYR A 84 105.801 -20.646 8.337 1.00 0.00 H new ATOM 0 HE2 TYR A 84 103.099 -17.309 8.438 1.00 0.00 H new ATOM 0 HH TYR A 84 102.722 -19.223 9.526 1.00 0.00 H new ATOM 1328 N LEU A 85 105.533 -18.108 3.345 1.00 0.00 N ATOM 1329 CA LEU A 85 104.393 -18.909 2.821 1.00 0.00 C ATOM 1330 C LEU A 85 104.545 -19.081 1.307 1.00 0.00 C ATOM 1331 O LEU A 85 103.575 -19.110 0.577 1.00 0.00 O ATOM 1332 CB LEU A 85 103.078 -18.187 3.121 1.00 0.00 C ATOM 1333 CG LEU A 85 102.822 -18.192 4.630 1.00 0.00 C ATOM 1334 CD1 LEU A 85 101.603 -17.321 4.941 1.00 0.00 C ATOM 1335 CD2 LEU A 85 102.558 -19.625 5.102 1.00 0.00 C ATOM 0 H LEU A 85 105.635 -17.181 2.933 1.00 0.00 H new ATOM 0 HA LEU A 85 104.387 -19.887 3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 85 103.122 -17.162 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 85 102.255 -18.677 2.601 1.00 0.00 H new ATOM 0 HG LEU A 85 103.696 -17.796 5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 85 101.419 -17.323 6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 85 101.790 -16.300 4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 85 100.730 -17.718 4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 85 102.376 -19.626 6.177 1.00 0.00 H new ATOM 0 HD22 LEU A 85 101.685 -20.023 4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 85 103.425 -20.247 4.880 1.00 0.00 H new ATOM 1347 N ASN A 86 105.755 -19.192 0.829 1.00 0.00 N ATOM 1348 CA ASN A 86 105.961 -19.359 -0.635 1.00 0.00 C ATOM 1349 C ASN A 86 105.783 -20.829 -1.007 1.00 0.00 C ATOM 1350 O ASN A 86 106.354 -21.315 -1.964 1.00 0.00 O ATOM 1351 CB ASN A 86 107.370 -18.896 -1.016 1.00 0.00 C ATOM 1352 CG ASN A 86 108.405 -19.779 -0.316 1.00 0.00 C ATOM 1353 OD1 ASN A 86 109.219 -19.294 0.443 1.00 0.00 O ATOM 1354 ND2 ASN A 86 108.409 -21.064 -0.542 1.00 0.00 N ATOM 0 H ASN A 86 106.607 -19.174 1.389 1.00 0.00 H new ATOM 0 HA ASN A 86 105.230 -18.757 -1.175 1.00 0.00 H new ATOM 0 HB2 ASN A 86 107.502 -18.950 -2.097 1.00 0.00 H new ATOM 0 HB3 ASN A 86 107.512 -17.854 -0.729 1.00 0.00 H new ATOM 0 HD21 ASN A 86 109.096 -21.661 -0.081 1.00 0.00 H new ATOM 0 HD22 ASN A 86 107.725 -21.472 -1.180 1.00 0.00 H new ATOM 1361 N GLY A 87 104.995 -21.537 -0.254 1.00 0.00 N ATOM 1362 CA GLY A 87 104.769 -22.980 -0.555 1.00 0.00 C ATOM 1363 C GLY A 87 104.058 -23.111 -1.901 1.00 0.00 C ATOM 1364 O GLY A 87 104.482 -23.848 -2.770 1.00 0.00 O ATOM 0 H GLY A 87 104.495 -21.181 0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 87 105.720 -23.511 -0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 87 104.169 -23.438 0.232 1.00 0.00 H new ATOM 1368 N ARG A 88 102.977 -22.402 -2.084 1.00 0.00 N ATOM 1369 CA ARG A 88 102.237 -22.485 -3.375 1.00 0.00 C ATOM 1370 C ARG A 88 101.077 -21.485 -3.361 1.00 0.00 C ATOM 1371 O ARG A 88 100.023 -21.730 -3.913 1.00 0.00 O ATOM 1372 CB ARG A 88 101.698 -23.910 -3.562 1.00 0.00 C ATOM 1373 CG ARG A 88 102.349 -24.552 -4.790 1.00 0.00 C ATOM 1374 CD ARG A 88 101.707 -25.913 -5.056 1.00 0.00 C ATOM 1375 NE ARG A 88 100.223 -25.772 -5.056 1.00 0.00 N ATOM 1376 CZ ARG A 88 99.468 -26.821 -5.235 1.00 0.00 C ATOM 1377 NH1 ARG A 88 98.168 -26.697 -5.237 1.00 0.00 N ATOM 1378 NH2 ARG A 88 100.011 -27.994 -5.413 1.00 0.00 N ATOM 0 H ARG A 88 102.574 -21.768 -1.394 1.00 0.00 H new ATOM 0 HA ARG A 88 102.907 -22.244 -4.200 1.00 0.00 H new ATOM 0 HB2 ARG A 88 101.906 -24.507 -2.674 1.00 0.00 H new ATOM 0 HB3 ARG A 88 100.615 -23.886 -3.683 1.00 0.00 H new ATOM 0 HG2 ARG A 88 102.228 -23.905 -5.659 1.00 0.00 H new ATOM 0 HG3 ARG A 88 103.420 -24.669 -4.627 1.00 0.00 H new ATOM 0 HD2 ARG A 88 102.046 -26.305 -6.015 1.00 0.00 H new ATOM 0 HD3 ARG A 88 102.015 -26.628 -4.293 1.00 0.00 H new ATOM 0 HE ARG A 88 99.798 -24.855 -4.916 1.00 0.00 H new ATOM 0 HH11 ARG A 88 97.743 -25.780 -5.099 1.00 0.00 H new ATOM 0 HH12 ARG A 88 97.578 -27.517 -5.377 1.00 0.00 H new ATOM 0 HH21 ARG A 88 101.026 -28.091 -5.412 1.00 0.00 H new ATOM 0 HH22 ARG A 88 99.420 -28.814 -5.553 1.00 0.00 H new ATOM 1392 N ALA A 89 101.265 -20.356 -2.734 1.00 0.00 N ATOM 1393 CA ALA A 89 100.174 -19.340 -2.686 1.00 0.00 C ATOM 1394 C ALA A 89 100.193 -18.508 -3.970 1.00 0.00 C ATOM 1395 O ALA A 89 101.024 -18.707 -4.835 1.00 0.00 O ATOM 1396 CB ALA A 89 100.386 -18.422 -1.480 1.00 0.00 C ATOM 0 H ALA A 89 102.125 -20.093 -2.253 1.00 0.00 H new ATOM 0 HA ALA A 89 99.212 -19.844 -2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.589 -17.679 -1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 89 100.372 -19.014 -0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 89 101.348 -17.918 -1.571 1.00 0.00 H new ATOM 1402 N VAL A 90 99.286 -17.580 -4.102 1.00 0.00 N ATOM 1403 CA VAL A 90 99.253 -16.737 -5.333 1.00 0.00 C ATOM 1404 C VAL A 90 99.175 -15.260 -4.939 1.00 0.00 C ATOM 1405 O VAL A 90 98.134 -14.761 -4.562 1.00 0.00 O ATOM 1406 CB VAL A 90 98.026 -17.106 -6.169 1.00 0.00 C ATOM 1407 CG1 VAL A 90 97.885 -16.120 -7.331 1.00 0.00 C ATOM 1408 CG2 VAL A 90 98.195 -18.522 -6.722 1.00 0.00 C ATOM 0 H VAL A 90 98.566 -17.368 -3.412 1.00 0.00 H new ATOM 0 HA VAL A 90 100.157 -16.910 -5.916 1.00 0.00 H new ATOM 0 HB VAL A 90 97.134 -17.062 -5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 90 97.011 -16.383 -7.927 1.00 0.00 H new ATOM 0 HG12 VAL A 90 97.767 -15.110 -6.939 1.00 0.00 H new ATOM 0 HG13 VAL A 90 98.777 -16.164 -7.956 1.00 0.00 H new ATOM 0 HG21 VAL A 90 97.322 -18.787 -7.318 1.00 0.00 H new ATOM 0 HG22 VAL A 90 99.087 -18.564 -7.347 1.00 0.00 H new ATOM 0 HG23 VAL A 90 98.297 -19.226 -5.896 1.00 0.00 H new ATOM 1418 N GLN A 91 100.271 -14.556 -5.027 1.00 0.00 N ATOM 1419 CA GLN A 91 100.265 -13.111 -4.661 1.00 0.00 C ATOM 1420 C GLN A 91 100.107 -12.271 -5.933 1.00 0.00 C ATOM 1421 O GLN A 91 100.752 -12.518 -6.932 1.00 0.00 O ATOM 1422 CB GLN A 91 101.585 -12.752 -3.964 1.00 0.00 C ATOM 1423 CG GLN A 91 102.594 -13.888 -4.153 1.00 0.00 C ATOM 1424 CD GLN A 91 102.879 -14.075 -5.643 1.00 0.00 C ATOM 1425 OE1 GLN A 91 102.995 -15.189 -6.117 1.00 0.00 O ATOM 1426 NE2 GLN A 91 102.997 -13.024 -6.409 1.00 0.00 N ATOM 0 H GLN A 91 101.172 -14.920 -5.337 1.00 0.00 H new ATOM 0 HA GLN A 91 99.436 -12.907 -3.984 1.00 0.00 H new ATOM 0 HB2 GLN A 91 101.985 -11.825 -4.376 1.00 0.00 H new ATOM 0 HB3 GLN A 91 101.411 -12.580 -2.902 1.00 0.00 H new ATOM 0 HG2 GLN A 91 103.518 -13.660 -3.621 1.00 0.00 H new ATOM 0 HG3 GLN A 91 102.201 -14.812 -3.728 1.00 0.00 H new ATOM 0 HE21 GLN A 91 102.900 -12.090 -6.011 1.00 0.00 H new ATOM 0 HE22 GLN A 91 103.186 -13.137 -7.405 1.00 0.00 H new ATOM 1435 N HIS A 92 99.254 -11.280 -5.907 1.00 0.00 N ATOM 1436 CA HIS A 92 99.064 -10.436 -7.124 1.00 0.00 C ATOM 1437 C HIS A 92 98.812 -8.983 -6.712 1.00 0.00 C ATOM 1438 O HIS A 92 98.457 -8.699 -5.585 1.00 0.00 O ATOM 1439 CB HIS A 92 97.870 -10.952 -7.928 1.00 0.00 C ATOM 1440 CG HIS A 92 96.706 -11.190 -7.005 1.00 0.00 C ATOM 1441 ND1 HIS A 92 95.509 -10.499 -7.132 1.00 0.00 N ATOM 1442 CD2 HIS A 92 96.538 -12.039 -5.939 1.00 0.00 C ATOM 1443 CE1 HIS A 92 94.681 -10.942 -6.168 1.00 0.00 C ATOM 1444 NE2 HIS A 92 95.261 -11.880 -5.416 1.00 0.00 N ATOM 0 H HIS A 92 98.684 -11.020 -5.102 1.00 0.00 H new ATOM 0 HA HIS A 92 99.963 -10.487 -7.738 1.00 0.00 H new ATOM 0 HB2 HIS A 92 97.596 -10.229 -8.696 1.00 0.00 H new ATOM 0 HB3 HIS A 92 98.136 -11.877 -8.441 1.00 0.00 H new ATOM 0 HD2 HIS A 92 97.284 -12.725 -5.565 1.00 0.00 H new ATOM 0 HE1 HIS A 92 93.673 -10.583 -6.021 1.00 0.00 H new ATOM 0 HE2 HIS A 92 94.852 -12.376 -4.624 1.00 0.00 H new ATOM 1452 N ARG A 93 98.999 -8.064 -7.619 1.00 0.00 N ATOM 1453 CA ARG A 93 98.778 -6.627 -7.287 1.00 0.00 C ATOM 1454 C ARG A 93 97.444 -6.163 -7.878 1.00 0.00 C ATOM 1455 O ARG A 93 97.227 -6.230 -9.071 1.00 0.00 O ATOM 1456 CB ARG A 93 99.913 -5.787 -7.879 1.00 0.00 C ATOM 1457 CG ARG A 93 100.426 -6.450 -9.159 1.00 0.00 C ATOM 1458 CD ARG A 93 101.522 -5.583 -9.780 1.00 0.00 C ATOM 1459 NE ARG A 93 100.910 -4.374 -10.398 1.00 0.00 N ATOM 1460 CZ ARG A 93 100.401 -4.439 -11.599 1.00 0.00 C ATOM 1461 NH1 ARG A 93 99.869 -3.377 -12.141 1.00 0.00 N ATOM 1462 NH2 ARG A 93 100.425 -5.565 -12.258 1.00 0.00 N ATOM 0 H ARG A 93 99.296 -8.246 -8.578 1.00 0.00 H new ATOM 0 HA ARG A 93 98.758 -6.505 -6.204 1.00 0.00 H new ATOM 0 HB2 ARG A 93 99.559 -4.779 -8.096 1.00 0.00 H new ATOM 0 HB3 ARG A 93 100.724 -5.691 -7.157 1.00 0.00 H new ATOM 0 HG2 ARG A 93 100.816 -7.443 -8.935 1.00 0.00 H new ATOM 0 HG3 ARG A 93 99.607 -6.581 -9.866 1.00 0.00 H new ATOM 0 HD2 ARG A 93 102.243 -5.289 -9.018 1.00 0.00 H new ATOM 0 HD3 ARG A 93 102.068 -6.152 -10.532 1.00 0.00 H new ATOM 0 HE ARG A 93 100.888 -3.494 -9.883 1.00 0.00 H new ATOM 0 HH11 ARG A 93 99.851 -2.496 -11.626 1.00 0.00 H new ATOM 0 HH12 ARG A 93 99.472 -3.428 -13.079 1.00 0.00 H new ATOM 0 HH21 ARG A 93 100.841 -6.395 -11.835 1.00 0.00 H new ATOM 0 HH22 ARG A 93 100.027 -5.616 -13.196 1.00 0.00 H new ATOM 1476 N GLU A 94 96.554 -5.687 -7.052 1.00 0.00 N ATOM 1477 CA GLU A 94 95.238 -5.211 -7.565 1.00 0.00 C ATOM 1478 C GLU A 94 95.244 -3.683 -7.621 1.00 0.00 C ATOM 1479 O GLU A 94 95.914 -3.027 -6.849 1.00 0.00 O ATOM 1480 CB GLU A 94 94.121 -5.685 -6.633 1.00 0.00 C ATOM 1481 CG GLU A 94 93.813 -7.158 -6.906 1.00 0.00 C ATOM 1482 CD GLU A 94 92.504 -7.543 -6.214 1.00 0.00 C ATOM 1483 OE1 GLU A 94 91.676 -6.666 -6.026 1.00 0.00 O ATOM 1484 OE2 GLU A 94 92.350 -8.708 -5.884 1.00 0.00 O ATOM 0 H GLU A 94 96.681 -5.607 -6.043 1.00 0.00 H new ATOM 0 HA GLU A 94 95.067 -5.614 -8.563 1.00 0.00 H new ATOM 0 HB2 GLU A 94 94.421 -5.553 -5.593 1.00 0.00 H new ATOM 0 HB3 GLU A 94 93.226 -5.082 -6.786 1.00 0.00 H new ATOM 0 HG2 GLU A 94 93.734 -7.331 -7.979 1.00 0.00 H new ATOM 0 HG3 GLU A 94 94.627 -7.784 -6.541 1.00 0.00 H new ATOM 1491 N VAL A 95 94.503 -3.107 -8.529 1.00 0.00 N ATOM 1492 CA VAL A 95 94.471 -1.624 -8.632 1.00 0.00 C ATOM 1493 C VAL A 95 93.044 -1.162 -8.933 1.00 0.00 C ATOM 1494 O VAL A 95 92.211 -1.931 -9.371 1.00 0.00 O ATOM 1495 CB VAL A 95 95.403 -1.170 -9.755 1.00 0.00 C ATOM 1496 CG1 VAL A 95 95.625 0.341 -9.657 1.00 0.00 C ATOM 1497 CG2 VAL A 95 96.747 -1.891 -9.623 1.00 0.00 C ATOM 0 H VAL A 95 93.919 -3.602 -9.203 1.00 0.00 H new ATOM 0 HA VAL A 95 94.801 -1.188 -7.689 1.00 0.00 H new ATOM 0 HB VAL A 95 94.953 -1.409 -10.719 1.00 0.00 H new ATOM 0 HG11 VAL A 95 96.290 0.664 -10.458 1.00 0.00 H new ATOM 0 HG12 VAL A 95 94.669 0.856 -9.749 1.00 0.00 H new ATOM 0 HG13 VAL A 95 96.075 0.581 -8.694 1.00 0.00 H new ATOM 0 HG21 VAL A 95 97.413 -1.568 -10.423 1.00 0.00 H new ATOM 0 HG22 VAL A 95 97.195 -1.651 -8.659 1.00 0.00 H new ATOM 0 HG23 VAL A 95 96.591 -2.967 -9.693 1.00 0.00 H new ATOM 1507 N GLN A 96 92.756 0.090 -8.703 1.00 0.00 N ATOM 1508 CA GLN A 96 91.383 0.601 -8.977 1.00 0.00 C ATOM 1509 C GLN A 96 91.060 0.433 -10.463 1.00 0.00 C ATOM 1510 O GLN A 96 91.861 0.744 -11.322 1.00 0.00 O ATOM 1511 CB GLN A 96 91.307 2.084 -8.604 1.00 0.00 C ATOM 1512 CG GLN A 96 89.943 2.644 -9.013 1.00 0.00 C ATOM 1513 CD GLN A 96 89.625 3.881 -8.173 1.00 0.00 C ATOM 1514 OE1 GLN A 96 90.494 4.686 -7.900 1.00 0.00 O ATOM 1515 NE2 GLN A 96 88.406 4.069 -7.746 1.00 0.00 N ATOM 0 H GLN A 96 93.412 0.781 -8.337 1.00 0.00 H new ATOM 0 HA GLN A 96 90.662 0.038 -8.384 1.00 0.00 H new ATOM 0 HB2 GLN A 96 91.456 2.208 -7.531 1.00 0.00 H new ATOM 0 HB3 GLN A 96 92.103 2.637 -9.103 1.00 0.00 H new ATOM 0 HG2 GLN A 96 89.947 2.902 -10.072 1.00 0.00 H new ATOM 0 HG3 GLN A 96 89.171 1.888 -8.872 1.00 0.00 H new ATOM 0 HE21 GLN A 96 87.676 3.394 -7.974 1.00 0.00 H new ATOM 0 HE22 GLN A 96 88.184 4.891 -7.184 1.00 0.00 H new ATOM 1524 N GLY A 97 89.891 -0.058 -10.774 1.00 0.00 N ATOM 1525 CA GLY A 97 89.516 -0.246 -12.204 1.00 0.00 C ATOM 1526 C GLY A 97 90.067 -1.581 -12.705 1.00 0.00 C ATOM 1527 O GLY A 97 89.540 -2.177 -13.622 1.00 0.00 O ATOM 0 H GLY A 97 89.179 -0.337 -10.099 1.00 0.00 H new ATOM 0 HA2 GLY A 97 88.432 -0.225 -12.312 1.00 0.00 H new ATOM 0 HA3 GLY A 97 89.913 0.572 -12.805 1.00 0.00 H new ATOM 1531 N PHE A 98 91.127 -2.055 -12.108 1.00 0.00 N ATOM 1532 CA PHE A 98 91.716 -3.352 -12.548 1.00 0.00 C ATOM 1533 C PHE A 98 91.433 -4.424 -11.493 1.00 0.00 C ATOM 1534 O PHE A 98 91.970 -5.512 -11.539 1.00 0.00 O ATOM 1535 CB PHE A 98 93.228 -3.190 -12.718 1.00 0.00 C ATOM 1536 CG PHE A 98 93.810 -4.459 -13.292 1.00 0.00 C ATOM 1537 CD1 PHE A 98 94.405 -5.402 -12.446 1.00 0.00 C ATOM 1538 CD2 PHE A 98 93.755 -4.692 -14.672 1.00 0.00 C ATOM 1539 CE1 PHE A 98 94.945 -6.578 -12.979 1.00 0.00 C ATOM 1540 CE2 PHE A 98 94.296 -5.869 -15.205 1.00 0.00 C ATOM 1541 CZ PHE A 98 94.891 -6.812 -14.359 1.00 0.00 C ATOM 0 H PHE A 98 91.611 -1.600 -11.334 1.00 0.00 H new ATOM 0 HA PHE A 98 91.272 -3.651 -13.497 1.00 0.00 H new ATOM 0 HB2 PHE A 98 93.442 -2.349 -13.377 1.00 0.00 H new ATOM 0 HB3 PHE A 98 93.691 -2.968 -11.757 1.00 0.00 H new ATOM 0 HD1 PHE A 98 94.447 -5.222 -11.382 1.00 0.00 H new ATOM 0 HD2 PHE A 98 93.296 -3.965 -15.325 1.00 0.00 H new ATOM 0 HE1 PHE A 98 95.404 -7.306 -12.326 1.00 0.00 H new ATOM 0 HE2 PHE A 98 94.254 -6.049 -16.269 1.00 0.00 H new ATOM 0 HZ PHE A 98 95.308 -7.719 -14.770 1.00 0.00 H new ATOM 1551 N GLU A 99 90.591 -4.123 -10.542 1.00 0.00 N ATOM 1552 CA GLU A 99 90.273 -5.124 -9.485 1.00 0.00 C ATOM 1553 C GLU A 99 90.077 -6.499 -10.126 1.00 0.00 C ATOM 1554 O GLU A 99 89.255 -6.672 -11.004 1.00 0.00 O ATOM 1555 CB GLU A 99 88.992 -4.710 -8.759 1.00 0.00 C ATOM 1556 CG GLU A 99 89.283 -3.522 -7.841 1.00 0.00 C ATOM 1557 CD GLU A 99 87.965 -2.912 -7.361 1.00 0.00 C ATOM 1558 OE1 GLU A 99 86.986 -3.025 -8.079 1.00 0.00 O ATOM 1559 OE2 GLU A 99 87.957 -2.341 -6.282 1.00 0.00 O ATOM 0 H GLU A 99 90.110 -3.228 -10.452 1.00 0.00 H new ATOM 0 HA GLU A 99 91.095 -5.172 -8.771 1.00 0.00 H new ATOM 0 HB2 GLU A 99 88.222 -4.443 -9.483 1.00 0.00 H new ATOM 0 HB3 GLU A 99 88.606 -5.546 -8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 99 89.878 -3.846 -6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 99 89.870 -2.773 -8.373 1.00 0.00 H new ATOM 1566 N SER A 100 90.824 -7.478 -9.693 1.00 0.00 N ATOM 1567 CA SER A 100 90.678 -8.840 -10.278 1.00 0.00 C ATOM 1568 C SER A 100 89.222 -9.295 -10.156 1.00 0.00 C ATOM 1569 O SER A 100 88.382 -8.585 -9.641 1.00 0.00 O ATOM 1570 CB SER A 100 91.582 -9.816 -9.524 1.00 0.00 C ATOM 1571 OG SER A 100 90.813 -10.508 -8.549 1.00 0.00 O ATOM 0 H SER A 100 91.528 -7.393 -8.960 1.00 0.00 H new ATOM 0 HA SER A 100 90.964 -8.817 -11.330 1.00 0.00 H new ATOM 0 HB2 SER A 100 92.032 -10.525 -10.219 1.00 0.00 H new ATOM 0 HB3 SER A 100 92.399 -9.277 -9.044 1.00 0.00 H new ATOM 0 HG SER A 100 91.388 -11.136 -8.064 1.00 0.00 H new ATOM 1577 N ALA A 101 88.918 -10.473 -10.629 1.00 0.00 N ATOM 1578 CA ALA A 101 87.517 -10.971 -10.540 1.00 0.00 C ATOM 1579 C ALA A 101 87.160 -11.233 -9.075 1.00 0.00 C ATOM 1580 O ALA A 101 86.074 -10.927 -8.627 1.00 0.00 O ATOM 1581 CB ALA A 101 87.388 -12.273 -11.336 1.00 0.00 C ATOM 0 H ALA A 101 89.579 -11.111 -11.073 1.00 0.00 H new ATOM 0 HA ALA A 101 86.839 -10.223 -10.951 1.00 0.00 H new ATOM 0 HB1 ALA A 101 86.363 -12.639 -11.272 1.00 0.00 H new ATOM 0 HB2 ALA A 101 87.643 -12.088 -12.380 1.00 0.00 H new ATOM 0 HB3 ALA A 101 88.066 -13.020 -10.924 1.00 0.00 H new ATOM 1587 N THR A 102 88.067 -11.799 -8.327 1.00 0.00 N ATOM 1588 CA THR A 102 87.778 -12.080 -6.891 1.00 0.00 C ATOM 1589 C THR A 102 87.197 -10.830 -6.233 1.00 0.00 C ATOM 1590 O THR A 102 86.109 -10.848 -5.690 1.00 0.00 O ATOM 1591 CB THR A 102 89.073 -12.478 -6.179 1.00 0.00 C ATOM 1592 OG1 THR A 102 89.470 -13.772 -6.612 1.00 0.00 O ATOM 1593 CG2 THR A 102 88.841 -12.493 -4.667 1.00 0.00 C ATOM 0 H THR A 102 88.994 -12.079 -8.647 1.00 0.00 H new ATOM 0 HA THR A 102 87.058 -12.895 -6.818 1.00 0.00 H new ATOM 0 HB THR A 102 89.856 -11.758 -6.417 1.00 0.00 H new ATOM 0 HG1 THR A 102 90.300 -14.028 -6.159 1.00 0.00 H new ATOM 0 HG21 THR A 102 89.763 -12.777 -4.160 1.00 0.00 H new ATOM 0 HG22 THR A 102 88.535 -11.500 -4.336 1.00 0.00 H new ATOM 0 HG23 THR A 102 88.059 -13.213 -4.426 1.00 0.00 H new ATOM 1601 N PHE A 103 87.915 -9.746 -6.277 1.00 0.00 N ATOM 1602 CA PHE A 103 87.411 -8.489 -5.653 1.00 0.00 C ATOM 1603 C PHE A 103 86.081 -8.093 -6.300 1.00 0.00 C ATOM 1604 O PHE A 103 85.092 -7.884 -5.627 1.00 0.00 O ATOM 1605 CB PHE A 103 88.435 -7.369 -5.863 1.00 0.00 C ATOM 1606 CG PHE A 103 89.474 -7.425 -4.769 1.00 0.00 C ATOM 1607 CD1 PHE A 103 89.742 -6.285 -4.001 1.00 0.00 C ATOM 1608 CD2 PHE A 103 90.168 -8.614 -4.520 1.00 0.00 C ATOM 1609 CE1 PHE A 103 90.705 -6.334 -2.985 1.00 0.00 C ATOM 1610 CE2 PHE A 103 91.130 -8.664 -3.505 1.00 0.00 C ATOM 1611 CZ PHE A 103 91.399 -7.524 -2.737 1.00 0.00 C ATOM 0 H PHE A 103 88.832 -9.673 -6.719 1.00 0.00 H new ATOM 0 HA PHE A 103 87.261 -8.649 -4.585 1.00 0.00 H new ATOM 0 HB2 PHE A 103 88.912 -7.475 -6.838 1.00 0.00 H new ATOM 0 HB3 PHE A 103 87.936 -6.400 -5.856 1.00 0.00 H new ATOM 0 HD1 PHE A 103 89.206 -5.367 -4.192 1.00 0.00 H new ATOM 0 HD2 PHE A 103 89.961 -9.494 -5.111 1.00 0.00 H new ATOM 0 HE1 PHE A 103 90.912 -5.454 -2.394 1.00 0.00 H new ATOM 0 HE2 PHE A 103 91.665 -9.582 -3.314 1.00 0.00 H new ATOM 0 HZ PHE A 103 92.142 -7.563 -1.954 1.00 0.00 H new ATOM 1621 N LEU A 104 86.049 -7.988 -7.601 1.00 0.00 N ATOM 1622 CA LEU A 104 84.783 -7.605 -8.285 1.00 0.00 C ATOM 1623 C LEU A 104 83.662 -8.558 -7.860 1.00 0.00 C ATOM 1624 O LEU A 104 82.495 -8.294 -8.074 1.00 0.00 O ATOM 1625 CB LEU A 104 84.974 -7.690 -9.802 1.00 0.00 C ATOM 1626 CG LEU A 104 85.666 -6.419 -10.305 1.00 0.00 C ATOM 1627 CD1 LEU A 104 86.041 -6.594 -11.778 1.00 0.00 C ATOM 1628 CD2 LEU A 104 84.718 -5.222 -10.159 1.00 0.00 C ATOM 0 H LEU A 104 86.844 -8.151 -8.218 1.00 0.00 H new ATOM 0 HA LEU A 104 84.518 -6.585 -8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 104 85.572 -8.566 -10.055 1.00 0.00 H new ATOM 0 HB3 LEU A 104 84.009 -7.810 -10.294 1.00 0.00 H new ATOM 0 HG LEU A 104 86.566 -6.240 -9.717 1.00 0.00 H new ATOM 0 HD11 LEU A 104 86.534 -5.691 -12.138 1.00 0.00 H new ATOM 0 HD12 LEU A 104 86.717 -7.442 -11.883 1.00 0.00 H new ATOM 0 HD13 LEU A 104 85.140 -6.774 -12.364 1.00 0.00 H new ATOM 0 HD21 LEU A 104 85.213 -4.320 -10.518 1.00 0.00 H new ATOM 0 HD22 LEU A 104 83.816 -5.398 -10.745 1.00 0.00 H new ATOM 0 HD23 LEU A 104 84.450 -5.096 -9.110 1.00 0.00 H new ATOM 1640 N GLY A 105 84.008 -9.665 -7.259 1.00 0.00 N ATOM 1641 CA GLY A 105 82.962 -10.634 -6.821 1.00 0.00 C ATOM 1642 C GLY A 105 82.788 -10.547 -5.304 1.00 0.00 C ATOM 1643 O GLY A 105 81.732 -10.834 -4.773 1.00 0.00 O ATOM 0 H GLY A 105 84.968 -9.940 -7.053 1.00 0.00 H new ATOM 0 HA2 GLY A 105 82.017 -10.415 -7.319 1.00 0.00 H new ATOM 0 HA3 GLY A 105 83.246 -11.646 -7.107 1.00 0.00 H new ATOM 1647 N TYR A 106 83.815 -10.156 -4.601 1.00 0.00 N ATOM 1648 CA TYR A 106 83.708 -10.054 -3.119 1.00 0.00 C ATOM 1649 C TYR A 106 82.993 -8.753 -2.743 1.00 0.00 C ATOM 1650 O TYR A 106 82.549 -8.578 -1.626 1.00 0.00 O ATOM 1651 CB TYR A 106 85.111 -10.058 -2.506 1.00 0.00 C ATOM 1652 CG TYR A 106 85.038 -10.550 -1.080 1.00 0.00 C ATOM 1653 CD1 TYR A 106 84.754 -9.652 -0.044 1.00 0.00 C ATOM 1654 CD2 TYR A 106 85.256 -11.903 -0.795 1.00 0.00 C ATOM 1655 CE1 TYR A 106 84.687 -10.108 1.278 1.00 0.00 C ATOM 1656 CE2 TYR A 106 85.190 -12.358 0.528 1.00 0.00 C ATOM 1657 CZ TYR A 106 84.906 -11.461 1.564 1.00 0.00 C ATOM 1658 OH TYR A 106 84.840 -11.910 2.867 1.00 0.00 O ATOM 0 H TYR A 106 84.724 -9.903 -4.989 1.00 0.00 H new ATOM 0 HA TYR A 106 83.140 -10.903 -2.738 1.00 0.00 H new ATOM 0 HB2 TYR A 106 85.772 -10.699 -3.089 1.00 0.00 H new ATOM 0 HB3 TYR A 106 85.534 -9.054 -2.534 1.00 0.00 H new ATOM 0 HD1 TYR A 106 84.587 -8.608 -0.265 1.00 0.00 H new ATOM 0 HD2 TYR A 106 85.475 -12.595 -1.594 1.00 0.00 H new ATOM 0 HE1 TYR A 106 84.466 -9.416 2.077 1.00 0.00 H new ATOM 0 HE2 TYR A 106 85.358 -13.402 0.749 1.00 0.00 H new ATOM 0 HH TYR A 106 85.016 -12.874 2.890 1.00 0.00 H new ATOM 1668 N PHE A 107 82.879 -7.838 -3.668 1.00 0.00 N ATOM 1669 CA PHE A 107 82.195 -6.551 -3.361 1.00 0.00 C ATOM 1670 C PHE A 107 80.784 -6.832 -2.835 1.00 0.00 C ATOM 1671 O PHE A 107 80.020 -7.558 -3.441 1.00 0.00 O ATOM 1672 CB PHE A 107 82.108 -5.704 -4.633 1.00 0.00 C ATOM 1673 CG PHE A 107 81.019 -6.246 -5.530 1.00 0.00 C ATOM 1674 CD1 PHE A 107 81.122 -7.539 -6.056 1.00 0.00 C ATOM 1675 CD2 PHE A 107 79.906 -5.453 -5.835 1.00 0.00 C ATOM 1676 CE1 PHE A 107 80.113 -8.040 -6.887 1.00 0.00 C ATOM 1677 CE2 PHE A 107 78.896 -5.953 -6.666 1.00 0.00 C ATOM 1678 CZ PHE A 107 79.000 -7.247 -7.192 1.00 0.00 C ATOM 0 H PHE A 107 83.230 -7.927 -4.622 1.00 0.00 H new ATOM 0 HA PHE A 107 82.762 -6.011 -2.603 1.00 0.00 H new ATOM 0 HB2 PHE A 107 81.899 -4.665 -4.377 1.00 0.00 H new ATOM 0 HB3 PHE A 107 83.064 -5.717 -5.156 1.00 0.00 H new ATOM 0 HD1 PHE A 107 81.980 -8.151 -5.821 1.00 0.00 H new ATOM 0 HD2 PHE A 107 79.827 -4.455 -5.429 1.00 0.00 H new ATOM 0 HE1 PHE A 107 80.193 -9.038 -7.293 1.00 0.00 H new ATOM 0 HE2 PHE A 107 78.037 -5.341 -6.901 1.00 0.00 H new ATOM 0 HZ PHE A 107 78.221 -7.633 -7.833 1.00 0.00 H new ATOM 1688 N LYS A 108 80.433 -6.263 -1.713 1.00 0.00 N ATOM 1689 CA LYS A 108 79.072 -6.495 -1.148 1.00 0.00 C ATOM 1690 C LYS A 108 78.290 -5.181 -1.150 1.00 0.00 C ATOM 1691 O LYS A 108 77.210 -5.091 -1.699 1.00 0.00 O ATOM 1692 CB LYS A 108 79.196 -7.012 0.287 1.00 0.00 C ATOM 1693 CG LYS A 108 79.425 -8.525 0.269 1.00 0.00 C ATOM 1694 CD LYS A 108 79.621 -9.029 1.700 1.00 0.00 C ATOM 1695 CE LYS A 108 79.319 -10.528 1.759 1.00 0.00 C ATOM 1696 NZ LYS A 108 80.015 -11.129 2.932 1.00 0.00 N ATOM 0 H LYS A 108 81.031 -5.647 -1.163 1.00 0.00 H new ATOM 0 HA LYS A 108 78.547 -7.232 -1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 108 80.023 -6.515 0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 108 78.292 -6.777 0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 108 78.574 -9.027 -0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 108 80.300 -8.764 -0.335 1.00 0.00 H new ATOM 0 HD2 LYS A 108 80.644 -8.840 2.027 1.00 0.00 H new ATOM 0 HD3 LYS A 108 78.964 -8.488 2.381 1.00 0.00 H new ATOM 0 HE2 LYS A 108 78.244 -10.690 1.838 1.00 0.00 H new ATOM 0 HE3 LYS A 108 79.648 -11.013 0.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 79.810 -12.148 2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 81.041 -10.986 2.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 79.680 -10.674 3.805 1.00 0.00 H new ATOM 1710 N SER A 109 78.826 -4.159 -0.539 1.00 0.00 N ATOM 1711 CA SER A 109 78.115 -2.849 -0.505 1.00 0.00 C ATOM 1712 C SER A 109 78.767 -1.889 -1.502 1.00 0.00 C ATOM 1713 O SER A 109 78.264 -0.812 -1.761 1.00 0.00 O ATOM 1714 CB SER A 109 78.201 -2.260 0.902 1.00 0.00 C ATOM 1715 OG SER A 109 79.561 -2.227 1.316 1.00 0.00 O ATOM 0 H SER A 109 79.727 -4.175 -0.061 1.00 0.00 H new ATOM 0 HA SER A 109 77.069 -2.996 -0.774 1.00 0.00 H new ATOM 0 HB2 SER A 109 77.781 -1.254 0.914 1.00 0.00 H new ATOM 0 HB3 SER A 109 77.612 -2.860 1.596 1.00 0.00 H new ATOM 0 HG SER A 109 79.619 -1.848 2.218 1.00 0.00 H new ATOM 1721 N GLY A 110 79.883 -2.267 -2.063 1.00 0.00 N ATOM 1722 CA GLY A 110 80.567 -1.374 -3.043 1.00 0.00 C ATOM 1723 C GLY A 110 81.771 -0.709 -2.376 1.00 0.00 C ATOM 1724 O GLY A 110 81.627 0.150 -1.528 1.00 0.00 O ATOM 0 H GLY A 110 80.351 -3.156 -1.886 1.00 0.00 H new ATOM 0 HA2 GLY A 110 80.891 -1.949 -3.910 1.00 0.00 H new ATOM 0 HA3 GLY A 110 79.873 -0.615 -3.405 1.00 0.00 H new ATOM 1728 N LEU A 111 82.958 -1.098 -2.751 1.00 0.00 N ATOM 1729 CA LEU A 111 84.171 -0.486 -2.138 1.00 0.00 C ATOM 1730 C LEU A 111 84.092 1.036 -2.262 1.00 0.00 C ATOM 1731 O LEU A 111 84.023 1.578 -3.348 1.00 0.00 O ATOM 1732 CB LEU A 111 85.422 -0.996 -2.860 1.00 0.00 C ATOM 1733 CG LEU A 111 85.138 -2.375 -3.461 1.00 0.00 C ATOM 1734 CD1 LEU A 111 84.531 -2.210 -4.856 1.00 0.00 C ATOM 1735 CD2 LEU A 111 86.446 -3.163 -3.565 1.00 0.00 C ATOM 0 H LEU A 111 83.141 -1.813 -3.455 1.00 0.00 H new ATOM 0 HA LEU A 111 84.224 -0.761 -1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 111 85.712 -0.298 -3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 111 86.258 -1.056 -2.163 1.00 0.00 H new ATOM 0 HG LEU A 111 84.437 -2.913 -2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 111 84.329 -3.192 -5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 111 83.600 -1.647 -4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 111 85.231 -1.673 -5.496 1.00 0.00 H new ATOM 0 HD21 LEU A 111 86.246 -4.145 -3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 111 87.145 -2.624 -4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 111 86.880 -3.281 -2.572 1.00 0.00 H new ATOM 1747 N LYS A 112 84.101 1.730 -1.158 1.00 0.00 N ATOM 1748 CA LYS A 112 84.024 3.217 -1.209 1.00 0.00 C ATOM 1749 C LYS A 112 85.413 3.790 -1.498 1.00 0.00 C ATOM 1750 O LYS A 112 86.368 3.512 -0.800 1.00 0.00 O ATOM 1751 CB LYS A 112 83.522 3.749 0.136 1.00 0.00 C ATOM 1752 CG LYS A 112 81.992 3.738 0.149 1.00 0.00 C ATOM 1753 CD LYS A 112 81.490 4.322 1.470 1.00 0.00 C ATOM 1754 CE LYS A 112 80.088 3.784 1.768 1.00 0.00 C ATOM 1755 NZ LYS A 112 79.192 4.070 0.614 1.00 0.00 N ATOM 0 H LYS A 112 84.158 1.331 -0.221 1.00 0.00 H new ATOM 0 HA LYS A 112 83.335 3.518 -1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 112 83.908 3.134 0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 112 83.891 4.762 0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 112 81.606 4.320 -0.688 1.00 0.00 H new ATOM 0 HG3 LYS A 112 81.624 2.719 0.026 1.00 0.00 H new ATOM 0 HD2 LYS A 112 82.172 4.058 2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 112 81.469 5.410 1.414 1.00 0.00 H new ATOM 0 HE2 LYS A 112 80.130 2.711 1.952 1.00 0.00 H new ATOM 0 HE3 LYS A 112 79.693 4.247 2.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 78.201 4.025 0.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 79.396 5.020 0.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 79.353 3.365 -0.133 1.00 0.00 H new ATOM 1769 N TYR A 113 85.534 4.591 -2.522 1.00 0.00 N ATOM 1770 CA TYR A 113 86.861 5.184 -2.851 1.00 0.00 C ATOM 1771 C TYR A 113 86.967 6.574 -2.222 1.00 0.00 C ATOM 1772 O TYR A 113 86.003 7.309 -2.151 1.00 0.00 O ATOM 1773 CB TYR A 113 87.005 5.301 -4.371 1.00 0.00 C ATOM 1774 CG TYR A 113 86.778 3.949 -5.007 1.00 0.00 C ATOM 1775 CD1 TYR A 113 85.591 3.695 -5.704 1.00 0.00 C ATOM 1776 CD2 TYR A 113 87.756 2.955 -4.901 1.00 0.00 C ATOM 1777 CE1 TYR A 113 85.381 2.444 -6.295 1.00 0.00 C ATOM 1778 CE2 TYR A 113 87.545 1.702 -5.492 1.00 0.00 C ATOM 1779 CZ TYR A 113 86.359 1.448 -6.189 1.00 0.00 C ATOM 1780 OH TYR A 113 86.151 0.215 -6.773 1.00 0.00 O ATOM 0 H TYR A 113 84.772 4.860 -3.144 1.00 0.00 H new ATOM 0 HA TYR A 113 87.652 4.545 -2.459 1.00 0.00 H new ATOM 0 HB2 TYR A 113 86.286 6.022 -4.760 1.00 0.00 H new ATOM 0 HB3 TYR A 113 87.998 5.672 -4.625 1.00 0.00 H new ATOM 0 HD1 TYR A 113 84.837 4.464 -5.786 1.00 0.00 H new ATOM 0 HD2 TYR A 113 88.672 3.153 -4.365 1.00 0.00 H new ATOM 0 HE1 TYR A 113 84.465 2.247 -6.832 1.00 0.00 H new ATOM 0 HE2 TYR A 113 88.298 0.932 -5.409 1.00 0.00 H new ATOM 0 HH TYR A 113 86.846 -0.409 -6.476 1.00 0.00 H new ATOM 1790 N LYS A 114 88.135 6.941 -1.767 1.00 0.00 N ATOM 1791 CA LYS A 114 88.301 8.286 -1.145 1.00 0.00 C ATOM 1792 C LYS A 114 89.656 8.869 -1.549 1.00 0.00 C ATOM 1793 O LYS A 114 90.674 8.211 -1.470 1.00 0.00 O ATOM 1794 CB LYS A 114 88.234 8.154 0.380 1.00 0.00 C ATOM 1795 CG LYS A 114 86.774 8.219 0.836 1.00 0.00 C ATOM 1796 CD LYS A 114 86.363 9.681 1.032 1.00 0.00 C ATOM 1797 CE LYS A 114 84.877 9.747 1.395 1.00 0.00 C ATOM 1798 NZ LYS A 114 84.466 11.173 1.537 1.00 0.00 N ATOM 0 H LYS A 114 88.979 6.369 -1.799 1.00 0.00 H new ATOM 0 HA LYS A 114 87.505 8.947 -1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 114 88.682 7.211 0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 114 88.809 8.952 0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 114 86.130 7.745 0.095 1.00 0.00 H new ATOM 0 HG3 LYS A 114 86.648 7.667 1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 114 86.962 10.136 1.821 1.00 0.00 H new ATOM 0 HD3 LYS A 114 86.552 10.249 0.121 1.00 0.00 H new ATOM 0 HE2 LYS A 114 84.281 9.260 0.623 1.00 0.00 H new ATOM 0 HE3 LYS A 114 84.694 9.210 2.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 83.457 11.221 1.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 85.027 11.623 2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 84.627 11.672 0.639 1.00 0.00 H new ATOM 1812 N LYS A 115 89.677 10.099 -1.983 1.00 0.00 N ATOM 1813 CA LYS A 115 90.967 10.723 -2.394 1.00 0.00 C ATOM 1814 C LYS A 115 91.792 11.056 -1.151 1.00 0.00 C ATOM 1815 O LYS A 115 91.264 11.222 -0.069 1.00 0.00 O ATOM 1816 CB LYS A 115 90.684 12.006 -3.179 1.00 0.00 C ATOM 1817 CG LYS A 115 90.256 11.650 -4.605 1.00 0.00 C ATOM 1818 CD LYS A 115 89.750 12.907 -5.315 1.00 0.00 C ATOM 1819 CE LYS A 115 89.877 12.724 -6.828 1.00 0.00 C ATOM 1820 NZ LYS A 115 89.515 13.996 -7.514 1.00 0.00 N ATOM 0 H LYS A 115 88.857 10.699 -2.071 1.00 0.00 H new ATOM 0 HA LYS A 115 91.524 10.028 -3.022 1.00 0.00 H new ATOM 0 HB2 LYS A 115 89.900 12.581 -2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 115 91.574 12.635 -3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 115 91.097 11.224 -5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 115 89.473 10.892 -4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 115 88.710 13.096 -5.047 1.00 0.00 H new ATOM 0 HD3 LYS A 115 90.325 13.776 -4.993 1.00 0.00 H new ATOM 0 HE2 LYS A 115 90.896 12.436 -7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 115 89.224 11.919 -7.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 89.601 13.872 -8.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 88.535 14.252 -7.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 90.156 14.753 -7.202 1.00 0.00 H new