USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 637 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 70 ASN : amide:sc= 1.79 K(o=1.3,f=-9.2!) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -0.511 USER MOD Single : A 7 SER OG : rot 35:sc= -0.115 USER MOD Single : A 8 MET CE :methyl -115:sc= -1.21 (180deg=-4.07!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -1.92 K(o=-1.9,f=-0.59) USER MOD Single : A 43 THR OG1 : rot 78:sc= 0.383 USER MOD Single : A 46 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0953) USER MOD Single : A 48 HIS : no HD1:sc= -4.04! C(o=-4!,f=-4.1!) USER MOD Single : A 50 LYS NZ :NH3+ 147:sc= 1.15 (180deg=1.02) USER MOD Single : A 54 THR OG1 : rot 87:sc= 0.864 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 57 LYS NZ :NH3+ -163:sc= -0.0432 (180deg=-0.332) USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= -0.0438 (180deg=-0.287) USER MOD Single : A 64 SER OG : rot 102:sc= 1.12 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0.556 K(o=0.56,f=-8.5!) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.013 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.391 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -140:sc= -0.0802 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -123:sc= -0.338 (180deg=-0.534) USER MOD ----------------------------------------------------------------- ATOM 69 N SER A 7 -17.541 -6.380 -4.492 1.00 0.00 N ATOM 70 CA SER A 7 -16.230 -5.811 -4.678 1.00 0.00 C ATOM 71 C SER A 7 -15.986 -4.738 -3.616 1.00 0.00 C ATOM 72 O SER A 7 -16.860 -3.909 -3.314 1.00 0.00 O ATOM 73 CB SER A 7 -16.076 -5.261 -6.097 1.00 0.00 C ATOM 74 OG SER A 7 -16.356 -6.266 -7.085 1.00 0.00 O ATOM 0 HA SER A 7 -15.474 -6.587 -4.557 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.750 -4.415 -6.236 1.00 0.00 H new ATOM 0 HB3 SER A 7 -15.062 -4.886 -6.235 1.00 0.00 H new ATOM 0 HG SER A 7 -17.069 -6.855 -6.760 1.00 0.00 H new ATOM 80 N MET A 8 -14.819 -4.794 -3.045 1.00 0.00 N ATOM 81 CA MET A 8 -14.502 -4.044 -1.865 1.00 0.00 C ATOM 82 C MET A 8 -13.417 -3.080 -2.078 1.00 0.00 C ATOM 83 O MET A 8 -12.438 -3.387 -2.724 1.00 0.00 O ATOM 84 CB MET A 8 -14.067 -4.978 -0.793 1.00 0.00 C ATOM 85 CG MET A 8 -15.049 -6.062 -0.538 1.00 0.00 C ATOM 86 SD MET A 8 -14.676 -7.032 0.882 1.00 0.00 S ATOM 87 CE MET A 8 -15.944 -8.235 0.700 1.00 0.00 C ATOM 0 H MET A 8 -14.050 -5.369 -3.390 1.00 0.00 H new ATOM 0 HA MET A 8 -15.403 -3.495 -1.590 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.110 -5.420 -1.069 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.906 -4.417 0.127 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.039 -5.623 -0.417 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.093 -6.713 -1.411 1.00 0.00 H new ATOM 0 HE1 MET A 8 -16.642 -8.156 1.533 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.476 -8.065 -0.236 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.502 -9.231 0.690 1.00 0.00 H new ATOM 97 N LYS A 9 -13.578 -1.920 -1.532 1.00 0.00 N ATOM 98 CA LYS A 9 -12.585 -0.939 -1.561 1.00 0.00 C ATOM 99 C LYS A 9 -11.833 -0.993 -0.237 1.00 0.00 C ATOM 100 O LYS A 9 -12.298 -0.504 0.798 1.00 0.00 O ATOM 101 CB LYS A 9 -13.229 0.387 -1.821 1.00 0.00 C ATOM 102 CG LYS A 9 -12.283 1.526 -1.972 1.00 0.00 C ATOM 103 CD LYS A 9 -12.921 2.625 -2.772 1.00 0.00 C ATOM 104 CE LYS A 9 -14.270 3.026 -2.218 1.00 0.00 C ATOM 105 NZ LYS A 9 -14.841 4.193 -2.909 1.00 0.00 N ATOM 0 H LYS A 9 -14.429 -1.637 -1.046 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.862 -1.104 -2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.830 0.311 -2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.913 0.609 -1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.994 1.901 -0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.371 1.189 -2.465 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.262 3.493 -2.783 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.037 2.299 -3.806 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.958 2.185 -2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.171 3.250 -1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.764 4.426 -2.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.200 5.005 -2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.963 3.973 -3.918 1.00 0.00 H new ATOM 119 N ILE A 10 -10.709 -1.629 -0.299 1.00 0.00 N ATOM 120 CA ILE A 10 -9.883 -1.937 0.820 1.00 0.00 C ATOM 121 C ILE A 10 -8.644 -1.070 0.803 1.00 0.00 C ATOM 122 O ILE A 10 -8.109 -0.783 -0.272 1.00 0.00 O ATOM 123 CB ILE A 10 -9.502 -3.428 0.695 1.00 0.00 C ATOM 124 CG1 ILE A 10 -10.759 -4.277 0.878 1.00 0.00 C ATOM 125 CG2 ILE A 10 -8.384 -3.834 1.650 1.00 0.00 C ATOM 126 CD1 ILE A 10 -10.624 -5.690 0.416 1.00 0.00 C ATOM 0 H ILE A 10 -10.322 -1.966 -1.181 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.403 -1.748 1.759 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.096 -3.601 -0.302 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.031 -4.278 1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.581 -3.808 0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.159 -4.892 1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.492 -3.244 1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.701 -3.657 2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.562 -6.219 0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.384 -5.704 -0.647 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.826 -6.181 0.974 1.00 0.00 H new ATOM 138 N ARG A 11 -8.222 -0.616 1.973 1.00 0.00 N ATOM 139 CA ARG A 11 -6.981 0.091 2.099 1.00 0.00 C ATOM 140 C ARG A 11 -5.852 -0.841 1.869 1.00 0.00 C ATOM 141 O ARG A 11 -5.804 -1.929 2.446 1.00 0.00 O ATOM 142 CB ARG A 11 -6.788 0.668 3.498 1.00 0.00 C ATOM 143 CG ARG A 11 -7.386 2.034 3.732 1.00 0.00 C ATOM 144 CD ARG A 11 -6.915 2.533 5.078 1.00 0.00 C ATOM 145 NE ARG A 11 -7.380 3.871 5.420 1.00 0.00 N ATOM 146 CZ ARG A 11 -6.871 4.600 6.422 1.00 0.00 C ATOM 147 NH1 ARG A 11 -5.913 4.093 7.202 1.00 0.00 N ATOM 148 NH2 ARG A 11 -7.330 5.812 6.658 1.00 0.00 N ATOM 0 H ARG A 11 -8.733 -0.732 2.848 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.006 0.899 1.367 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.220 -0.026 4.220 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.719 0.719 3.705 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.081 2.722 2.944 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.474 1.982 3.706 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.250 1.837 5.847 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.825 2.525 5.094 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.135 4.275 4.866 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.567 3.148 7.036 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.527 4.651 7.964 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.075 6.197 6.077 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.941 6.365 7.422 1.00 0.00 H new ATOM 162 N VAL A 12 -4.987 -0.473 1.035 1.00 0.00 N ATOM 163 CA VAL A 12 -3.856 -1.232 0.788 1.00 0.00 C ATOM 164 C VAL A 12 -2.653 -0.466 1.221 1.00 0.00 C ATOM 165 O VAL A 12 -2.488 0.674 0.755 1.00 0.00 O ATOM 166 CB VAL A 12 -3.720 -1.434 -0.748 1.00 0.00 C ATOM 167 CG1 VAL A 12 -2.508 -2.298 -1.055 1.00 0.00 C ATOM 168 CG2 VAL A 12 -4.974 -2.086 -1.297 1.00 0.00 C ATOM 0 H VAL A 12 -5.047 0.387 0.490 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.935 -2.182 1.317 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.589 -0.461 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.421 -2.434 -2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.609 -1.811 -0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.623 -3.270 -0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.871 -2.224 -2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.119 -3.055 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.834 -1.448 -1.094 1.00 0.00 H new ATOM 178 N GLU A 13 -1.841 -1.004 2.101 1.00 0.00 N ATOM 179 CA GLU A 13 -0.581 -0.378 2.302 1.00 0.00 C ATOM 180 C GLU A 13 0.348 -0.891 1.244 1.00 0.00 C ATOM 181 O GLU A 13 0.218 -2.025 0.814 1.00 0.00 O ATOM 182 CB GLU A 13 0.179 -0.564 3.632 1.00 0.00 C ATOM 183 CG GLU A 13 -0.129 0.472 4.711 1.00 0.00 C ATOM 184 CD GLU A 13 -1.597 0.678 5.018 1.00 0.00 C ATOM 185 OE1 GLU A 13 -2.246 1.484 4.353 1.00 0.00 O ATOM 186 OE2 GLU A 13 -2.096 0.103 6.002 1.00 0.00 O ATOM 0 H GLU A 13 -2.028 -1.836 2.661 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.845 0.679 2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.050 -1.554 4.027 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.249 -0.542 3.426 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.378 0.176 5.629 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.298 1.427 4.405 1.00 0.00 H new ATOM 193 N LEU A 14 1.262 -0.085 0.831 1.00 0.00 N ATOM 194 CA LEU A 14 2.247 -0.484 -0.121 1.00 0.00 C ATOM 195 C LEU A 14 3.623 -0.212 0.406 1.00 0.00 C ATOM 196 O LEU A 14 3.903 0.879 0.927 1.00 0.00 O ATOM 197 CB LEU A 14 1.977 0.244 -1.463 1.00 0.00 C ATOM 198 CG LEU A 14 3.044 0.271 -2.610 1.00 0.00 C ATOM 199 CD1 LEU A 14 4.104 1.323 -2.382 1.00 0.00 C ATOM 200 CD2 LEU A 14 3.683 -1.079 -2.841 1.00 0.00 C ATOM 0 H LEU A 14 1.351 0.881 1.146 1.00 0.00 H new ATOM 0 HA LEU A 14 2.185 -1.558 -0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.071 -0.193 -1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.747 1.281 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 14 2.495 0.536 -3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.820 1.302 -3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.636 2.306 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.622 1.121 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.414 -1.003 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.181 -1.407 -1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.915 -1.803 -3.115 1.00 0.00 H new ATOM 212 N ILE A 15 4.472 -1.204 0.357 1.00 0.00 N ATOM 213 CA ILE A 15 5.874 -0.942 0.606 1.00 0.00 C ATOM 214 C ILE A 15 6.662 -1.207 -0.663 1.00 0.00 C ATOM 215 O ILE A 15 6.753 -2.359 -1.134 1.00 0.00 O ATOM 216 CB ILE A 15 6.617 -1.712 1.785 1.00 0.00 C ATOM 217 CG1 ILE A 15 6.035 -1.325 3.163 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.122 -1.434 1.794 1.00 0.00 C ATOM 219 CD1 ILE A 15 4.581 -1.674 3.367 1.00 0.00 C ATOM 0 H ILE A 15 4.233 -2.175 0.154 1.00 0.00 H new ATOM 0 HA ILE A 15 5.852 0.096 0.937 1.00 0.00 H new ATOM 0 HB ILE A 15 6.455 -2.774 1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.622 -1.816 3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.157 -0.251 3.303 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.588 -1.980 2.615 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.558 -1.758 0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.294 -0.366 1.925 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.268 -1.362 4.363 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.975 -1.161 2.620 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.448 -2.751 3.265 1.00 0.00 H new ATOM 483 N PRO A 33 2.463 4.628 1.623 1.00 0.00 N ATOM 484 CA PRO A 33 1.518 4.882 0.539 1.00 0.00 C ATOM 485 C PRO A 33 0.360 3.899 0.614 1.00 0.00 C ATOM 486 O PRO A 33 0.567 2.684 0.742 1.00 0.00 O ATOM 487 CB PRO A 33 2.381 4.610 -0.715 1.00 0.00 C ATOM 488 CG PRO A 33 3.589 3.928 -0.183 1.00 0.00 C ATOM 489 CD PRO A 33 3.832 4.559 1.104 1.00 0.00 C ATOM 0 HA PRO A 33 1.075 5.878 0.558 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.853 3.983 -1.434 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.640 5.536 -1.229 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.423 2.856 -0.074 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.441 4.052 -0.852 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.488 3.966 1.741 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.289 5.544 1.005 1.00 0.00 H new ATOM 497 N SER A 34 -0.827 4.412 0.547 1.00 0.00 N ATOM 498 CA SER A 34 -1.988 3.612 0.691 1.00 0.00 C ATOM 499 C SER A 34 -3.032 4.031 -0.296 1.00 0.00 C ATOM 500 O SER A 34 -3.011 5.167 -0.803 1.00 0.00 O ATOM 501 CB SER A 34 -2.506 3.671 2.138 1.00 0.00 C ATOM 502 OG SER A 34 -2.536 5.013 2.638 1.00 0.00 O ATOM 0 H SER A 34 -1.013 5.403 0.390 1.00 0.00 H new ATOM 0 HA SER A 34 -1.735 2.573 0.480 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.508 3.244 2.183 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.869 3.059 2.777 1.00 0.00 H new ATOM 0 HG SER A 34 -2.872 5.012 3.559 1.00 0.00 H new ATOM 508 N VAL A 35 -3.904 3.136 -0.600 1.00 0.00 N ATOM 509 CA VAL A 35 -4.971 3.394 -1.500 1.00 0.00 C ATOM 510 C VAL A 35 -6.133 2.568 -1.114 1.00 0.00 C ATOM 511 O VAL A 35 -5.972 1.495 -0.556 1.00 0.00 O ATOM 512 CB VAL A 35 -4.576 3.116 -2.995 1.00 0.00 C ATOM 513 CG1 VAL A 35 -4.122 1.695 -3.224 1.00 0.00 C ATOM 514 CG2 VAL A 35 -5.699 3.436 -3.965 1.00 0.00 C ATOM 0 H VAL A 35 -3.896 2.188 -0.224 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.221 4.453 -1.435 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.739 3.787 -3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.862 1.561 -4.274 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.249 1.488 -2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.926 1.009 -2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.371 3.225 -4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.569 2.823 -3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.964 4.490 -3.880 1.00 0.00 H new ATOM 524 N SER A 36 -7.273 3.066 -1.357 1.00 0.00 N ATOM 525 CA SER A 36 -8.431 2.335 -1.164 1.00 0.00 C ATOM 526 C SER A 36 -8.759 1.746 -2.544 1.00 0.00 C ATOM 527 O SER A 36 -9.174 2.458 -3.462 1.00 0.00 O ATOM 528 CB SER A 36 -9.488 3.217 -0.625 1.00 0.00 C ATOM 529 OG SER A 36 -9.018 3.965 0.503 1.00 0.00 O ATOM 0 H SER A 36 -7.422 4.014 -1.703 1.00 0.00 H new ATOM 0 HA SER A 36 -8.332 1.531 -0.434 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.825 3.902 -1.403 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.350 2.618 -0.333 1.00 0.00 H new ATOM 0 HG SER A 36 -9.738 4.540 0.837 1.00 0.00 H new ATOM 535 N HIS A 37 -8.515 0.475 -2.689 1.00 0.00 N ATOM 536 CA HIS A 37 -8.568 -0.172 -3.945 1.00 0.00 C ATOM 537 C HIS A 37 -9.725 -1.146 -3.994 1.00 0.00 C ATOM 538 O HIS A 37 -10.032 -1.794 -3.013 1.00 0.00 O ATOM 539 CB HIS A 37 -7.221 -0.885 -4.177 1.00 0.00 C ATOM 540 CG HIS A 37 -7.145 -1.678 -5.440 1.00 0.00 C ATOM 541 ND1 HIS A 37 -6.656 -1.201 -6.625 1.00 0.00 N ATOM 542 CD2 HIS A 37 -7.520 -2.924 -5.674 1.00 0.00 C ATOM 543 CE1 HIS A 37 -6.748 -2.132 -7.539 1.00 0.00 C ATOM 544 NE2 HIS A 37 -7.276 -3.199 -6.988 1.00 0.00 N ATOM 0 H HIS A 37 -8.270 -0.142 -1.915 1.00 0.00 H new ATOM 0 HA HIS A 37 -8.733 0.557 -4.738 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.427 -0.139 -4.184 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -7.027 -1.549 -3.335 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -7.945 -3.605 -4.952 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -6.442 -2.038 -8.570 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -7.471 -4.082 -7.460 1.00 0.00 H new ATOM 553 N ILE A 38 -10.313 -1.237 -5.145 1.00 0.00 N ATOM 554 CA ILE A 38 -11.497 -2.072 -5.458 1.00 0.00 C ATOM 555 C ILE A 38 -10.945 -3.509 -5.763 1.00 0.00 C ATOM 556 O ILE A 38 -10.190 -3.725 -6.731 1.00 0.00 O ATOM 557 CB ILE A 38 -12.049 -1.498 -6.699 1.00 0.00 C ATOM 558 CG1 ILE A 38 -12.549 -0.045 -6.454 1.00 0.00 C ATOM 559 CG2 ILE A 38 -13.193 -2.410 -7.109 1.00 0.00 C ATOM 560 CD1 ILE A 38 -13.636 0.082 -5.393 1.00 0.00 C ATOM 0 H ILE A 38 -9.984 -0.713 -5.956 1.00 0.00 H new ATOM 0 HA ILE A 38 -12.244 -2.108 -4.665 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.295 -1.438 -7.484 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.700 0.573 -6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.928 0.358 -7.393 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -13.646 -2.036 -8.027 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.813 -3.418 -7.276 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.942 -2.432 -6.318 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.923 1.128 -5.289 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.505 -0.505 -5.690 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.258 -0.287 -4.439 1.00 0.00 H new ATOM 572 N PHE A 39 -11.264 -4.419 -4.932 1.00 0.00 N ATOM 573 CA PHE A 39 -10.884 -5.778 -5.092 1.00 0.00 C ATOM 574 C PHE A 39 -12.111 -6.617 -5.336 1.00 0.00 C ATOM 575 O PHE A 39 -13.176 -6.342 -4.789 1.00 0.00 O ATOM 576 CB PHE A 39 -10.174 -6.291 -3.876 1.00 0.00 C ATOM 577 CG PHE A 39 -8.808 -5.754 -3.618 1.00 0.00 C ATOM 578 CD1 PHE A 39 -7.700 -6.369 -4.162 1.00 0.00 C ATOM 579 CD2 PHE A 39 -8.630 -4.676 -2.792 1.00 0.00 C ATOM 580 CE1 PHE A 39 -6.435 -5.906 -3.894 1.00 0.00 C ATOM 581 CE2 PHE A 39 -7.372 -4.211 -2.506 1.00 0.00 C ATOM 582 CZ PHE A 39 -6.267 -4.827 -3.061 1.00 0.00 C ATOM 0 H PHE A 39 -11.814 -4.242 -4.092 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.205 -5.842 -5.942 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.793 -6.076 -3.005 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.103 -7.376 -3.957 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.829 -7.226 -4.807 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.491 -4.186 -2.361 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.576 -6.388 -4.336 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.245 -3.364 -1.848 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.275 -4.462 -2.841 1.00 0.00 H new ATOM 592 N ASP A 40 -11.943 -7.622 -6.146 1.00 0.00 N ATOM 593 CA ASP A 40 -12.978 -8.555 -6.505 1.00 0.00 C ATOM 594 C ASP A 40 -12.345 -9.930 -6.672 1.00 0.00 C ATOM 595 O ASP A 40 -11.115 -10.078 -6.487 1.00 0.00 O ATOM 596 CB ASP A 40 -13.702 -8.143 -7.818 1.00 0.00 C ATOM 597 CG ASP A 40 -12.796 -8.029 -9.045 1.00 0.00 C ATOM 598 OD1 ASP A 40 -12.127 -9.013 -9.425 1.00 0.00 O ATOM 599 OD2 ASP A 40 -12.765 -6.956 -9.673 1.00 0.00 O ATOM 0 H ASP A 40 -11.049 -7.824 -6.593 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.729 -8.567 -5.715 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.484 -8.872 -8.029 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.195 -7.184 -7.658 1.00 0.00 H new ATOM 604 N GLY A 41 -13.135 -10.874 -7.116 1.00 0.00 N ATOM 605 CA GLY A 41 -12.676 -12.239 -7.264 1.00 0.00 C ATOM 606 C GLY A 41 -12.799 -12.697 -8.697 1.00 0.00 C ATOM 607 O GLY A 41 -12.891 -13.897 -8.983 1.00 0.00 O ATOM 0 H GLY A 41 -14.108 -10.724 -7.384 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.637 -12.314 -6.942 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.259 -12.895 -6.617 1.00 0.00 H new ATOM 611 N GLU A 42 -12.833 -11.738 -9.600 1.00 0.00 N ATOM 612 CA GLU A 42 -12.979 -11.985 -10.991 1.00 0.00 C ATOM 613 C GLU A 42 -11.718 -11.628 -11.746 1.00 0.00 C ATOM 614 O GLU A 42 -11.439 -12.166 -12.806 1.00 0.00 O ATOM 615 CB GLU A 42 -14.175 -11.222 -11.464 1.00 0.00 C ATOM 616 CG GLU A 42 -15.477 -11.692 -10.856 1.00 0.00 C ATOM 617 CD GLU A 42 -16.600 -10.738 -11.092 1.00 0.00 C ATOM 618 OE1 GLU A 42 -17.095 -10.648 -12.229 1.00 0.00 O ATOM 619 OE2 GLU A 42 -17.029 -10.072 -10.128 1.00 0.00 O ATOM 0 H GLU A 42 -12.757 -10.748 -9.366 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.137 -13.047 -11.180 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.036 -10.166 -11.232 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.241 -11.304 -12.549 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.738 -12.665 -11.273 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.343 -11.831 -9.783 1.00 0.00 H new ATOM 626 N THR A 43 -10.979 -10.730 -11.184 1.00 0.00 N ATOM 627 CA THR A 43 -9.733 -10.337 -11.656 1.00 0.00 C ATOM 628 C THR A 43 -8.701 -11.130 -10.864 1.00 0.00 C ATOM 629 O THR A 43 -8.975 -11.491 -9.696 1.00 0.00 O ATOM 630 CB THR A 43 -9.582 -8.882 -11.309 1.00 0.00 C ATOM 631 OG1 THR A 43 -10.757 -8.148 -11.715 1.00 0.00 O ATOM 632 CG2 THR A 43 -8.349 -8.278 -11.906 1.00 0.00 C ATOM 0 H THR A 43 -11.262 -10.236 -10.338 1.00 0.00 H new ATOM 0 HA THR A 43 -9.616 -10.499 -12.728 1.00 0.00 H new ATOM 0 HB THR A 43 -9.474 -8.815 -10.226 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.477 -8.299 -11.067 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.287 -7.227 -11.626 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.470 -8.805 -11.536 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.392 -8.362 -12.992 1.00 0.00 H new ATOM 640 N ALA A 44 -7.528 -11.358 -11.410 1.00 0.00 N ATOM 641 CA ALA A 44 -6.529 -12.102 -10.703 1.00 0.00 C ATOM 642 C ALA A 44 -5.891 -11.162 -9.728 1.00 0.00 C ATOM 643 O ALA A 44 -5.931 -9.928 -9.929 1.00 0.00 O ATOM 644 CB ALA A 44 -5.452 -12.667 -11.656 1.00 0.00 C ATOM 0 H ALA A 44 -7.250 -11.038 -12.338 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.992 -12.953 -10.203 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.713 -13.225 -11.080 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.921 -13.330 -12.383 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.961 -11.846 -12.178 1.00 0.00 H new ATOM 650 N VAL A 45 -5.325 -11.706 -8.692 1.00 0.00 N ATOM 651 CA VAL A 45 -4.624 -10.948 -7.687 1.00 0.00 C ATOM 652 C VAL A 45 -3.585 -10.071 -8.343 1.00 0.00 C ATOM 653 O VAL A 45 -3.573 -8.874 -8.157 1.00 0.00 O ATOM 654 CB VAL A 45 -3.850 -11.877 -6.751 1.00 0.00 C ATOM 655 CG1 VAL A 45 -3.040 -11.048 -5.783 1.00 0.00 C ATOM 656 CG2 VAL A 45 -4.856 -12.699 -5.985 1.00 0.00 C ATOM 0 H VAL A 45 -5.335 -12.710 -8.514 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.368 -10.367 -7.141 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.178 -12.522 -7.317 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.487 -11.707 -5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.340 -10.422 -6.337 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.708 -10.415 -5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.334 -13.374 -5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.505 -12.038 -5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.458 -13.281 -6.683 1.00 0.00 H new ATOM 666 N LYS A 46 -2.770 -10.709 -9.151 1.00 0.00 N ATOM 667 CA LYS A 46 -1.632 -10.087 -9.853 1.00 0.00 C ATOM 668 C LYS A 46 -2.105 -8.901 -10.677 1.00 0.00 C ATOM 669 O LYS A 46 -1.447 -7.908 -10.786 1.00 0.00 O ATOM 670 CB LYS A 46 -0.978 -11.095 -10.783 1.00 0.00 C ATOM 671 CG LYS A 46 -0.690 -12.424 -10.133 1.00 0.00 C ATOM 672 CD LYS A 46 -0.330 -13.458 -11.166 1.00 0.00 C ATOM 673 CE LYS A 46 -0.235 -14.826 -10.540 1.00 0.00 C ATOM 674 NZ LYS A 46 0.853 -14.903 -9.525 1.00 0.00 N ATOM 0 H LYS A 46 -2.869 -11.704 -9.355 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.913 -9.751 -9.106 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.627 -11.255 -11.644 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.045 -10.676 -11.160 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.128 -12.316 -9.420 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.562 -12.755 -9.570 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.080 -13.466 -11.957 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.621 -13.199 -11.631 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.186 -15.076 -10.071 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.058 -15.569 -11.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.973 -15.890 -9.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.742 -14.559 -9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.605 -14.314 -8.705 1.00 0.00 H new ATOM 688 N ASP A 47 -3.261 -9.021 -11.240 1.00 0.00 N ATOM 689 CA ASP A 47 -3.799 -7.974 -12.038 1.00 0.00 C ATOM 690 C ASP A 47 -4.289 -6.831 -11.199 1.00 0.00 C ATOM 691 O ASP A 47 -4.128 -5.673 -11.573 1.00 0.00 O ATOM 692 CB ASP A 47 -4.846 -8.492 -12.977 1.00 0.00 C ATOM 693 CG ASP A 47 -4.239 -9.311 -14.096 1.00 0.00 C ATOM 694 OD1 ASP A 47 -3.217 -8.884 -14.681 1.00 0.00 O ATOM 695 OD2 ASP A 47 -4.747 -10.409 -14.398 1.00 0.00 O ATOM 0 H ASP A 47 -3.857 -9.845 -11.160 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.993 -7.575 -12.654 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.560 -9.103 -12.425 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.402 -7.655 -13.399 1.00 0.00 H new ATOM 700 N HIS A 48 -4.851 -7.155 -10.037 1.00 0.00 N ATOM 701 CA HIS A 48 -5.200 -6.146 -9.036 1.00 0.00 C ATOM 702 C HIS A 48 -3.889 -5.440 -8.614 1.00 0.00 C ATOM 703 O HIS A 48 -3.846 -4.225 -8.426 1.00 0.00 O ATOM 704 CB HIS A 48 -5.868 -6.769 -7.786 1.00 0.00 C ATOM 705 CG HIS A 48 -7.226 -7.410 -7.931 1.00 0.00 C ATOM 706 ND1 HIS A 48 -8.359 -6.729 -8.317 1.00 0.00 N ATOM 707 CD2 HIS A 48 -7.641 -8.682 -7.655 1.00 0.00 C ATOM 708 CE1 HIS A 48 -9.397 -7.527 -8.270 1.00 0.00 C ATOM 709 NE2 HIS A 48 -8.996 -8.720 -7.873 1.00 0.00 N ATOM 0 H HIS A 48 -5.076 -8.112 -9.763 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.917 -5.449 -9.470 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.188 -7.523 -7.390 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.951 -5.987 -7.032 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.020 -9.503 -7.327 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.413 -7.254 -8.515 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.595 -9.536 -7.749 1.00 0.00 H new ATOM 718 N ILE A 49 -2.853 -6.239 -8.511 1.00 0.00 N ATOM 719 CA ILE A 49 -1.521 -5.809 -8.149 1.00 0.00 C ATOM 720 C ILE A 49 -0.906 -4.908 -9.204 1.00 0.00 C ATOM 721 O ILE A 49 -0.350 -3.894 -8.854 1.00 0.00 O ATOM 722 CB ILE A 49 -0.637 -7.005 -7.745 1.00 0.00 C ATOM 723 CG1 ILE A 49 -1.189 -7.612 -6.459 1.00 0.00 C ATOM 724 CG2 ILE A 49 0.826 -6.575 -7.558 1.00 0.00 C ATOM 725 CD1 ILE A 49 -0.344 -8.706 -5.907 1.00 0.00 C ATOM 0 H ILE A 49 -2.916 -7.242 -8.683 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.596 -5.184 -7.259 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.656 -7.750 -8.540 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.288 -6.827 -5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.190 -7.998 -6.650 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.426 -7.439 -7.273 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.206 -6.162 -8.492 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.886 -5.818 -6.776 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.797 -9.090 -4.993 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.266 -9.510 -6.639 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.651 -8.320 -5.684 1.00 0.00 H new ATOM 737 N LYS A 50 -1.053 -5.238 -10.498 1.00 0.00 N ATOM 738 CA LYS A 50 -0.576 -4.343 -11.561 1.00 0.00 C ATOM 739 C LYS A 50 -1.210 -2.959 -11.430 1.00 0.00 C ATOM 740 O LYS A 50 -0.543 -1.943 -11.645 1.00 0.00 O ATOM 741 CB LYS A 50 -0.851 -4.882 -12.966 1.00 0.00 C ATOM 742 CG LYS A 50 -0.185 -6.164 -13.330 1.00 0.00 C ATOM 743 CD LYS A 50 -0.391 -6.397 -14.801 1.00 0.00 C ATOM 744 CE LYS A 50 0.154 -7.717 -15.255 1.00 0.00 C ATOM 745 NZ LYS A 50 -0.535 -8.848 -14.617 1.00 0.00 N ATOM 0 H LYS A 50 -1.489 -6.099 -10.827 1.00 0.00 H new ATOM 0 HA LYS A 50 0.504 -4.278 -11.433 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.927 -5.014 -13.076 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.548 -4.123 -13.688 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.879 -6.120 -13.097 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.604 -6.988 -12.752 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.456 -6.350 -15.027 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.090 -5.596 -15.363 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.055 -7.797 -16.338 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.219 -7.767 -15.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.573 -9.649 -15.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.018 -9.131 -13.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.502 -8.565 -14.360 1.00 0.00 H new ATOM 759 N VAL A 51 -2.480 -2.931 -11.052 1.00 0.00 N ATOM 760 CA VAL A 51 -3.198 -1.689 -10.848 1.00 0.00 C ATOM 761 C VAL A 51 -2.619 -0.944 -9.671 1.00 0.00 C ATOM 762 O VAL A 51 -2.275 0.232 -9.794 1.00 0.00 O ATOM 763 CB VAL A 51 -4.688 -1.895 -10.600 1.00 0.00 C ATOM 764 CG1 VAL A 51 -5.361 -0.575 -10.352 1.00 0.00 C ATOM 765 CG2 VAL A 51 -5.350 -2.634 -11.720 1.00 0.00 C ATOM 0 H VAL A 51 -3.037 -3.768 -10.880 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.085 -1.117 -11.769 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.792 -2.515 -9.710 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.425 -0.736 -10.176 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.917 -0.099 -9.478 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.230 0.069 -11.222 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.410 -2.757 -11.498 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.236 -2.070 -12.646 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.887 -3.614 -11.833 1.00 0.00 H new ATOM 775 N LEU A 52 -2.534 -1.609 -8.542 1.00 0.00 N ATOM 776 CA LEU A 52 -1.943 -1.039 -7.351 1.00 0.00 C ATOM 777 C LEU A 52 -0.562 -0.514 -7.639 1.00 0.00 C ATOM 778 O LEU A 52 -0.281 0.634 -7.348 1.00 0.00 O ATOM 779 CB LEU A 52 -1.898 -2.099 -6.283 1.00 0.00 C ATOM 780 CG LEU A 52 -3.254 -2.512 -5.802 1.00 0.00 C ATOM 781 CD1 LEU A 52 -3.194 -3.881 -5.226 1.00 0.00 C ATOM 782 CD2 LEU A 52 -3.751 -1.530 -4.786 1.00 0.00 C ATOM 0 H LEU A 52 -2.873 -2.563 -8.422 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.547 -0.199 -7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.376 -2.974 -6.671 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.317 -1.729 -5.438 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.948 -2.524 -6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.185 -4.173 -4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.855 -4.582 -5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.498 -3.893 -4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.738 -1.834 -4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.062 -1.500 -3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.815 -0.540 -5.238 1.00 0.00 H new ATOM 794 N LEU A 53 0.270 -1.336 -8.276 1.00 0.00 N ATOM 795 CA LEU A 53 1.604 -0.944 -8.633 1.00 0.00 C ATOM 796 C LEU A 53 1.568 0.301 -9.490 1.00 0.00 C ATOM 797 O LEU A 53 2.249 1.239 -9.213 1.00 0.00 O ATOM 798 CB LEU A 53 2.324 -2.080 -9.350 1.00 0.00 C ATOM 799 CG LEU A 53 2.537 -3.341 -8.542 1.00 0.00 C ATOM 800 CD1 LEU A 53 3.236 -4.352 -9.385 1.00 0.00 C ATOM 801 CD2 LEU A 53 3.325 -3.056 -7.284 1.00 0.00 C ATOM 0 H LEU A 53 0.026 -2.287 -8.552 1.00 0.00 H new ATOM 0 HA LEU A 53 2.159 -0.719 -7.722 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.757 -2.336 -10.245 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.296 -1.716 -9.682 1.00 0.00 H new ATOM 0 HG LEU A 53 1.567 -3.734 -8.237 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.392 -5.263 -8.807 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.628 -4.578 -10.261 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.200 -3.956 -9.704 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.463 -3.981 -6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.299 -2.645 -7.550 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.783 -2.337 -6.670 1.00 0.00 H new ATOM 813 N THR A 54 0.720 0.307 -10.485 1.00 0.00 N ATOM 814 CA THR A 54 0.560 1.415 -11.333 1.00 0.00 C ATOM 815 C THR A 54 0.094 2.698 -10.623 1.00 0.00 C ATOM 816 O THR A 54 0.615 3.798 -10.882 1.00 0.00 O ATOM 817 CB THR A 54 -0.301 1.025 -12.534 1.00 0.00 C ATOM 818 OG1 THR A 54 0.362 0.049 -13.341 1.00 0.00 O ATOM 819 CG2 THR A 54 -0.764 2.172 -13.341 1.00 0.00 C ATOM 0 H THR A 54 0.118 -0.483 -10.717 1.00 0.00 H new ATOM 0 HA THR A 54 1.548 1.691 -11.700 1.00 0.00 H new ATOM 0 HB THR A 54 -1.207 0.582 -12.121 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.163 -0.848 -12.999 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.368 1.811 -14.173 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.364 2.836 -12.719 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.098 2.716 -13.727 1.00 0.00 H new ATOM 827 N HIS A 55 -0.816 2.559 -9.699 1.00 0.00 N ATOM 828 CA HIS A 55 -1.287 3.668 -8.908 1.00 0.00 C ATOM 829 C HIS A 55 -0.221 4.145 -7.920 1.00 0.00 C ATOM 830 O HIS A 55 -0.126 5.332 -7.614 1.00 0.00 O ATOM 831 CB HIS A 55 -2.646 3.304 -8.270 1.00 0.00 C ATOM 832 CG HIS A 55 -3.228 4.353 -7.358 1.00 0.00 C ATOM 833 ND1 HIS A 55 -4.126 5.313 -7.769 1.00 0.00 N ATOM 834 CD2 HIS A 55 -3.041 4.566 -6.041 1.00 0.00 C ATOM 835 CE1 HIS A 55 -4.458 6.065 -6.743 1.00 0.00 C ATOM 836 NE2 HIS A 55 -3.813 5.634 -5.685 1.00 0.00 N ATOM 0 H HIS A 55 -1.256 1.668 -9.470 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.467 4.534 -9.545 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.361 3.101 -9.067 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.528 2.379 -7.705 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.398 3.996 -5.387 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.146 6.897 -6.767 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.878 6.032 -4.748 1.00 0.00 H new ATOM 845 N PHE A 56 0.598 3.225 -7.472 1.00 0.00 N ATOM 846 CA PHE A 56 1.732 3.537 -6.629 1.00 0.00 C ATOM 847 C PHE A 56 2.964 3.900 -7.459 1.00 0.00 C ATOM 848 O PHE A 56 4.044 4.153 -6.925 1.00 0.00 O ATOM 849 CB PHE A 56 2.028 2.389 -5.701 1.00 0.00 C ATOM 850 CG PHE A 56 0.998 2.212 -4.642 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.724 3.246 -3.784 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.330 1.015 -4.485 1.00 0.00 C ATOM 853 CE1 PHE A 56 -0.198 3.102 -2.776 1.00 0.00 C ATOM 854 CE2 PHE A 56 -0.602 0.860 -3.482 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.862 1.910 -2.623 1.00 0.00 C ATOM 0 H PHE A 56 0.498 2.232 -7.682 1.00 0.00 H new ATOM 0 HA PHE A 56 1.474 4.410 -6.029 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.104 1.470 -6.283 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.999 2.550 -5.232 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.241 4.187 -3.902 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.539 0.193 -5.154 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.400 3.924 -2.106 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.126 -0.077 -3.368 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.587 1.793 -1.831 1.00 0.00 H new ATOM 865 N LYS A 57 2.770 3.903 -8.758 1.00 0.00 N ATOM 866 CA LYS A 57 3.782 4.294 -9.761 1.00 0.00 C ATOM 867 C LYS A 57 4.987 3.358 -9.795 1.00 0.00 C ATOM 868 O LYS A 57 6.115 3.773 -10.014 1.00 0.00 O ATOM 869 CB LYS A 57 4.192 5.751 -9.578 1.00 0.00 C ATOM 870 CG LYS A 57 3.091 6.729 -9.958 1.00 0.00 C ATOM 871 CD LYS A 57 3.494 8.169 -9.698 1.00 0.00 C ATOM 872 CE LYS A 57 3.583 8.467 -8.214 1.00 0.00 C ATOM 873 NZ LYS A 57 2.271 8.316 -7.533 1.00 0.00 N ATOM 0 H LYS A 57 1.882 3.628 -9.177 1.00 0.00 H new ATOM 0 HA LYS A 57 3.311 4.196 -10.739 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.474 5.916 -8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.075 5.953 -10.184 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.845 6.606 -11.013 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.189 6.497 -9.392 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.457 8.368 -10.168 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.769 8.839 -10.161 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.309 7.797 -7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.951 9.483 -8.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.302 8.794 -6.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.525 8.742 -8.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.067 7.306 -7.393 1.00 0.00 H new ATOM 887 N ILE A 58 4.709 2.101 -9.644 1.00 0.00 N ATOM 888 CA ILE A 58 5.652 1.054 -9.685 1.00 0.00 C ATOM 889 C ILE A 58 5.437 0.289 -10.988 1.00 0.00 C ATOM 890 O ILE A 58 4.285 0.157 -11.434 1.00 0.00 O ATOM 891 CB ILE A 58 5.386 0.114 -8.514 1.00 0.00 C ATOM 892 CG1 ILE A 58 5.485 0.907 -7.241 1.00 0.00 C ATOM 893 CG2 ILE A 58 6.374 -1.048 -8.504 1.00 0.00 C ATOM 894 CD1 ILE A 58 5.055 0.143 -6.072 1.00 0.00 C ATOM 0 H ILE A 58 3.758 1.770 -9.480 1.00 0.00 H new ATOM 0 HA ILE A 58 6.669 1.441 -9.626 1.00 0.00 H new ATOM 0 HB ILE A 58 4.389 -0.315 -8.610 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.515 1.233 -7.099 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.875 1.806 -7.328 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.159 -1.701 -7.658 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.280 -1.613 -9.431 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.389 -0.662 -8.416 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.146 0.762 -5.179 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.016 -0.161 -6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.682 -0.742 -5.965 1.00 0.00 H new ATOM 906 N PRO A 59 6.503 -0.148 -11.671 1.00 0.00 N ATOM 907 CA PRO A 59 6.373 -0.999 -12.851 1.00 0.00 C ATOM 908 C PRO A 59 5.649 -2.279 -12.515 1.00 0.00 C ATOM 909 O PRO A 59 5.964 -2.965 -11.528 1.00 0.00 O ATOM 910 CB PRO A 59 7.813 -1.300 -13.244 1.00 0.00 C ATOM 911 CG PRO A 59 8.585 -0.184 -12.685 1.00 0.00 C ATOM 912 CD PRO A 59 7.909 0.182 -11.397 1.00 0.00 C ATOM 0 HA PRO A 59 5.802 -0.521 -13.647 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.144 -2.255 -12.837 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.926 -1.358 -14.327 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.622 -0.474 -12.513 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.601 0.662 -13.372 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.303 -0.388 -10.556 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.039 1.237 -11.156 1.00 0.00 H new ATOM 920 N VAL A 60 4.697 -2.606 -13.344 1.00 0.00 N ATOM 921 CA VAL A 60 3.895 -3.787 -13.209 1.00 0.00 C ATOM 922 C VAL A 60 4.702 -5.055 -13.337 1.00 0.00 C ATOM 923 O VAL A 60 4.217 -6.107 -13.058 1.00 0.00 O ATOM 924 CB VAL A 60 2.765 -3.810 -14.252 1.00 0.00 C ATOM 925 CG1 VAL A 60 1.816 -2.674 -14.006 1.00 0.00 C ATOM 926 CG2 VAL A 60 3.291 -3.756 -15.660 1.00 0.00 C ATOM 0 H VAL A 60 4.452 -2.040 -14.156 1.00 0.00 H new ATOM 0 HA VAL A 60 3.474 -3.750 -12.204 1.00 0.00 H new ATOM 0 HB VAL A 60 2.236 -4.756 -14.142 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.019 -2.698 -14.749 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.385 -2.769 -13.009 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.353 -1.728 -14.081 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.457 -3.775 -16.361 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.862 -2.838 -15.800 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.936 -4.616 -15.841 1.00 0.00 H new ATOM 936 N ASP A 61 5.952 -4.939 -13.741 1.00 0.00 N ATOM 937 CA ASP A 61 6.827 -6.100 -13.865 1.00 0.00 C ATOM 938 C ASP A 61 7.207 -6.653 -12.516 1.00 0.00 C ATOM 939 O ASP A 61 7.700 -7.787 -12.401 1.00 0.00 O ATOM 940 CB ASP A 61 8.077 -5.797 -14.684 1.00 0.00 C ATOM 941 CG ASP A 61 7.865 -5.964 -16.164 1.00 0.00 C ATOM 942 OD1 ASP A 61 7.294 -5.066 -16.811 1.00 0.00 O ATOM 943 OD2 ASP A 61 8.296 -7.012 -16.718 1.00 0.00 O ATOM 0 H ASP A 61 6.390 -4.052 -13.991 1.00 0.00 H new ATOM 0 HA ASP A 61 6.256 -6.858 -14.401 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.398 -4.775 -14.482 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.884 -6.455 -14.362 1.00 0.00 H new ATOM 948 N LYS A 62 6.956 -5.872 -11.492 1.00 0.00 N ATOM 949 CA LYS A 62 7.249 -6.247 -10.158 1.00 0.00 C ATOM 950 C LYS A 62 6.132 -7.064 -9.540 1.00 0.00 C ATOM 951 O LYS A 62 6.292 -7.618 -8.478 1.00 0.00 O ATOM 952 CB LYS A 62 7.534 -5.035 -9.350 1.00 0.00 C ATOM 953 CG LYS A 62 8.743 -4.313 -9.852 1.00 0.00 C ATOM 954 CD LYS A 62 9.191 -3.328 -8.860 1.00 0.00 C ATOM 955 CE LYS A 62 10.407 -2.559 -9.342 1.00 0.00 C ATOM 956 NZ LYS A 62 11.555 -3.450 -9.598 1.00 0.00 N ATOM 0 H LYS A 62 6.536 -4.947 -11.580 1.00 0.00 H new ATOM 0 HA LYS A 62 8.133 -6.885 -10.170 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.673 -4.367 -9.378 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.685 -5.318 -8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.543 -5.025 -10.056 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.513 -3.814 -10.793 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.380 -2.631 -8.648 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.428 -3.835 -7.925 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.156 -2.018 -10.255 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.685 -1.814 -8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.424 -2.883 -9.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.652 -4.126 -8.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.400 -3.970 -10.485 1.00 0.00 H new ATOM 970 N VAL A 63 5.001 -7.134 -10.255 1.00 0.00 N ATOM 971 CA VAL A 63 3.765 -7.907 -9.910 1.00 0.00 C ATOM 972 C VAL A 63 4.139 -9.356 -9.546 1.00 0.00 C ATOM 973 O VAL A 63 3.503 -10.008 -8.714 1.00 0.00 O ATOM 974 CB VAL A 63 2.904 -7.861 -11.204 1.00 0.00 C ATOM 975 CG1 VAL A 63 3.265 -8.870 -12.286 1.00 0.00 C ATOM 976 CG2 VAL A 63 1.479 -7.994 -10.853 1.00 0.00 C ATOM 0 H VAL A 63 4.902 -6.633 -11.138 1.00 0.00 H new ATOM 0 HA VAL A 63 3.231 -7.497 -9.053 1.00 0.00 H new ATOM 0 HB VAL A 63 3.123 -6.891 -11.650 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.598 -8.743 -13.139 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.295 -8.710 -12.604 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.161 -9.880 -11.891 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.876 -7.962 -11.761 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.317 -8.944 -10.343 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.188 -7.175 -10.195 1.00 0.00 H new ATOM 986 N SER A 64 5.211 -9.796 -10.180 1.00 0.00 N ATOM 987 CA SER A 64 5.845 -11.063 -9.986 1.00 0.00 C ATOM 988 C SER A 64 6.197 -11.250 -8.494 1.00 0.00 C ATOM 989 O SER A 64 5.880 -12.267 -7.860 1.00 0.00 O ATOM 990 CB SER A 64 7.182 -10.980 -10.717 1.00 0.00 C ATOM 991 OG SER A 64 7.001 -10.484 -12.060 1.00 0.00 O ATOM 0 H SER A 64 5.683 -9.232 -10.887 1.00 0.00 H new ATOM 0 HA SER A 64 5.196 -11.868 -10.331 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.860 -10.325 -10.171 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.647 -11.965 -10.748 1.00 0.00 H new ATOM 0 HG SER A 64 7.263 -9.541 -12.098 1.00 0.00 H new ATOM 997 N SER A 65 6.821 -10.223 -7.955 1.00 0.00 N ATOM 998 CA SER A 65 7.358 -10.230 -6.644 1.00 0.00 C ATOM 999 C SER A 65 6.463 -9.499 -5.651 1.00 0.00 C ATOM 1000 O SER A 65 6.830 -9.335 -4.505 1.00 0.00 O ATOM 1001 CB SER A 65 8.741 -9.594 -6.653 1.00 0.00 C ATOM 1002 OG SER A 65 9.532 -10.143 -7.707 1.00 0.00 O ATOM 0 H SER A 65 6.964 -9.341 -8.447 1.00 0.00 H new ATOM 0 HA SER A 65 7.425 -11.269 -6.322 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.652 -8.515 -6.780 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.232 -9.762 -5.695 1.00 0.00 H new ATOM 0 HG SER A 65 10.418 -9.725 -7.703 1.00 0.00 H new ATOM 1008 N TYR A 66 5.296 -9.097 -6.061 1.00 0.00 N ATOM 1009 CA TYR A 66 4.399 -8.411 -5.171 1.00 0.00 C ATOM 1010 C TYR A 66 3.281 -9.291 -4.774 1.00 0.00 C ATOM 1011 O TYR A 66 2.830 -10.121 -5.558 1.00 0.00 O ATOM 1012 CB TYR A 66 3.880 -7.112 -5.749 1.00 0.00 C ATOM 1013 CG TYR A 66 4.749 -5.931 -5.460 1.00 0.00 C ATOM 1014 CD1 TYR A 66 5.781 -5.576 -6.288 1.00 0.00 C ATOM 1015 CD2 TYR A 66 4.524 -5.168 -4.339 1.00 0.00 C ATOM 1016 CE1 TYR A 66 6.567 -4.487 -6.012 1.00 0.00 C ATOM 1017 CE2 TYR A 66 5.293 -4.081 -4.049 1.00 0.00 C ATOM 1018 CZ TYR A 66 6.314 -3.737 -4.885 1.00 0.00 C ATOM 1019 OH TYR A 66 7.090 -2.646 -4.591 1.00 0.00 O ATOM 0 H TYR A 66 4.940 -9.231 -7.007 1.00 0.00 H new ATOM 0 HA TYR A 66 4.976 -8.151 -4.284 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.779 -7.221 -6.829 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.882 -6.922 -5.353 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.979 -6.163 -7.172 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.718 -5.436 -3.672 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.378 -4.220 -6.673 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.095 -3.496 -3.163 1.00 0.00 H new ATOM 0 HH TYR A 66 6.772 -2.232 -3.761 1.00 0.00 H new ATOM 1029 N ALA A 67 2.863 -9.136 -3.551 1.00 0.00 N ATOM 1030 CA ALA A 67 1.806 -9.901 -3.016 1.00 0.00 C ATOM 1031 C ALA A 67 1.169 -9.145 -1.886 1.00 0.00 C ATOM 1032 O ALA A 67 1.819 -8.329 -1.219 1.00 0.00 O ATOM 1033 CB ALA A 67 2.311 -11.240 -2.535 1.00 0.00 C ATOM 0 H ALA A 67 3.262 -8.461 -2.898 1.00 0.00 H new ATOM 0 HA ALA A 67 1.064 -10.080 -3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.481 -11.816 -2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.753 -11.784 -3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.064 -11.088 -1.762 1.00 0.00 H new ATOM 1039 N LEU A 68 -0.095 -9.379 -1.731 1.00 0.00 N ATOM 1040 CA LEU A 68 -0.882 -8.810 -0.680 1.00 0.00 C ATOM 1041 C LEU A 68 -0.653 -9.614 0.584 1.00 0.00 C ATOM 1042 O LEU A 68 -0.662 -10.833 0.534 1.00 0.00 O ATOM 1043 CB LEU A 68 -2.354 -8.916 -1.086 1.00 0.00 C ATOM 1044 CG LEU A 68 -2.739 -8.222 -2.401 1.00 0.00 C ATOM 1045 CD1 LEU A 68 -4.166 -8.560 -2.769 1.00 0.00 C ATOM 1046 CD2 LEU A 68 -2.568 -6.708 -2.293 1.00 0.00 C ATOM 0 H LEU A 68 -0.626 -9.990 -2.351 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.610 -7.769 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.614 -9.972 -1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.963 -8.497 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.073 -8.584 -3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.428 -8.063 -3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.264 -9.639 -2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.835 -8.223 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.848 -6.242 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.207 -6.326 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.528 -6.475 -2.067 1.00 0.00 H new ATOM 1058 N GLN A 69 -0.413 -8.966 1.675 1.00 0.00 N ATOM 1059 CA GLN A 69 -0.213 -9.662 2.930 1.00 0.00 C ATOM 1060 C GLN A 69 -1.281 -9.238 3.932 1.00 0.00 C ATOM 1061 O GLN A 69 -1.848 -8.143 3.817 1.00 0.00 O ATOM 1062 CB GLN A 69 1.180 -9.351 3.511 1.00 0.00 C ATOM 1063 CG GLN A 69 1.526 -10.160 4.757 1.00 0.00 C ATOM 1064 CD GLN A 69 2.727 -9.649 5.504 1.00 0.00 C ATOM 1065 OE1 GLN A 69 3.008 -8.465 5.526 1.00 0.00 O ATOM 1066 NE2 GLN A 69 3.458 -10.545 6.101 1.00 0.00 N ATOM 0 H GLN A 69 -0.348 -7.950 1.736 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.286 -10.733 2.742 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.933 -9.541 2.746 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.233 -8.290 3.753 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.667 -10.160 5.428 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.705 -11.196 4.467 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.192 -11.529 6.062 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.297 -10.263 6.608 1.00 0.00 H new ATOM 1075 N ASN A 70 -1.573 -10.112 4.866 1.00 0.00 N ATOM 1076 CA ASN A 70 -2.465 -9.825 5.964 1.00 0.00 C ATOM 1077 C ASN A 70 -1.664 -9.169 7.086 1.00 0.00 C ATOM 1078 O ASN A 70 -0.624 -9.687 7.482 1.00 0.00 O ATOM 1079 CB ASN A 70 -3.069 -11.107 6.510 1.00 0.00 C ATOM 1080 CG ASN A 70 -4.103 -10.847 7.604 1.00 0.00 C ATOM 1081 OD1 ASN A 70 -3.759 -10.721 8.781 1.00 0.00 O ATOM 1082 ND2 ASN A 70 -5.355 -10.785 7.241 1.00 0.00 N ATOM 0 H ASN A 70 -1.191 -11.058 4.884 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.260 -9.170 5.608 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.538 -11.660 5.696 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.275 -11.738 6.908 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.081 -10.628 7.940 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.607 -10.893 6.259 1.00 0.00 H new ATOM 1089 N PRO A 71 -2.146 -8.054 7.624 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.453 -7.298 8.690 1.00 0.00 C ATOM 1091 C PRO A 71 -1.327 -8.017 10.053 1.00 0.00 C ATOM 1092 O PRO A 71 -0.469 -7.649 10.870 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.318 -6.063 8.859 1.00 0.00 C ATOM 1094 CG PRO A 71 -3.656 -6.434 8.324 1.00 0.00 C ATOM 1095 CD PRO A 71 -3.402 -7.393 7.216 1.00 0.00 C ATOM 0 HA PRO A 71 -0.418 -7.123 8.396 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.383 -5.770 9.907 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.900 -5.215 8.316 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.274 -6.888 9.099 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.190 -5.555 7.964 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.217 -8.109 7.108 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.296 -6.883 6.258 1.00 0.00 H new ATOM 1103 N PHE A 72 -2.149 -9.012 10.314 1.00 0.00 N ATOM 1104 CA PHE A 72 -2.123 -9.656 11.604 1.00 0.00 C ATOM 1105 C PHE A 72 -1.518 -11.024 11.563 1.00 0.00 C ATOM 1106 O PHE A 72 -0.704 -11.389 12.414 1.00 0.00 O ATOM 1107 CB PHE A 72 -3.533 -9.722 12.208 1.00 0.00 C ATOM 1108 CG PHE A 72 -4.074 -8.369 12.586 1.00 0.00 C ATOM 1109 CD1 PHE A 72 -4.779 -7.609 11.673 1.00 0.00 C ATOM 1110 CD2 PHE A 72 -3.854 -7.852 13.850 1.00 0.00 C ATOM 1111 CE1 PHE A 72 -5.254 -6.359 12.011 1.00 0.00 C ATOM 1112 CE2 PHE A 72 -4.330 -6.605 14.197 1.00 0.00 C ATOM 1113 CZ PHE A 72 -5.029 -5.858 13.276 1.00 0.00 C ATOM 0 H PHE A 72 -2.834 -9.386 9.657 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.484 -9.043 12.239 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.208 -10.190 11.491 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.514 -10.360 13.092 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.961 -7.998 10.682 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.302 -8.432 14.575 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.801 -5.774 11.287 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -4.155 -6.215 15.189 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.401 -4.880 13.544 1.00 0.00 H new ATOM 1123 N THR A 73 -1.885 -11.778 10.574 1.00 0.00 N ATOM 1124 CA THR A 73 -1.440 -13.141 10.457 1.00 0.00 C ATOM 1125 C THR A 73 -0.118 -13.194 9.722 1.00 0.00 C ATOM 1126 O THR A 73 0.668 -14.132 9.892 1.00 0.00 O ATOM 1127 CB THR A 73 -2.471 -13.974 9.709 1.00 0.00 C ATOM 1128 OG1 THR A 73 -2.550 -13.521 8.352 1.00 0.00 O ATOM 1129 CG2 THR A 73 -3.836 -13.827 10.345 1.00 0.00 C ATOM 0 H THR A 73 -2.502 -11.470 9.822 1.00 0.00 H new ATOM 0 HA THR A 73 -1.313 -13.550 11.460 1.00 0.00 H new ATOM 0 HB THR A 73 -2.166 -15.020 9.747 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.212 -14.056 7.866 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.560 -14.430 9.796 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.793 -14.165 11.381 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.140 -12.781 10.317 1.00 0.00 H new ATOM 1137 N LEU A 74 0.119 -12.165 8.919 1.00 0.00 N ATOM 1138 CA LEU A 74 1.312 -12.017 8.109 1.00 0.00 C ATOM 1139 C LEU A 74 1.338 -13.001 6.964 1.00 0.00 C ATOM 1140 O LEU A 74 2.385 -13.233 6.351 1.00 0.00 O ATOM 1141 CB LEU A 74 2.593 -12.076 8.944 1.00 0.00 C ATOM 1142 CG LEU A 74 2.670 -11.082 10.068 1.00 0.00 C ATOM 1143 CD1 LEU A 74 4.079 -10.935 10.550 1.00 0.00 C ATOM 1144 CD2 LEU A 74 2.056 -9.751 9.692 1.00 0.00 C ATOM 0 H LEU A 74 -0.535 -11.390 8.813 1.00 0.00 H new ATOM 0 HA LEU A 74 1.273 -11.019 7.673 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.691 -13.079 9.360 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.446 -11.920 8.283 1.00 0.00 H new ATOM 0 HG LEU A 74 2.076 -11.470 10.895 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.111 -10.211 11.364 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.444 -11.898 10.907 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.710 -10.589 9.731 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.134 -9.063 10.534 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.585 -9.336 8.834 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.006 -9.894 9.436 1.00 0.00 H new ATOM 1156 N ALA A 75 0.178 -13.526 6.636 1.00 0.00 N ATOM 1157 CA ALA A 75 0.052 -14.438 5.537 1.00 0.00 C ATOM 1158 C ALA A 75 -0.062 -13.666 4.256 1.00 0.00 C ATOM 1159 O ALA A 75 -0.736 -12.630 4.206 1.00 0.00 O ATOM 1160 CB ALA A 75 -1.159 -15.322 5.716 1.00 0.00 C ATOM 0 H ALA A 75 -0.696 -13.330 7.125 1.00 0.00 H new ATOM 0 HA ALA A 75 0.938 -15.072 5.502 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.237 -16.007 4.872 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.059 -15.893 6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.056 -14.705 5.767 1.00 0.00 H new ATOM 1166 N TYR A 76 0.595 -14.137 3.252 1.00 0.00 N ATOM 1167 CA TYR A 76 0.564 -13.518 1.960 1.00 0.00 C ATOM 1168 C TYR A 76 -0.537 -14.127 1.131 1.00 0.00 C ATOM 1169 O TYR A 76 -1.143 -15.134 1.519 1.00 0.00 O ATOM 1170 CB TYR A 76 1.901 -13.678 1.230 1.00 0.00 C ATOM 1171 CG TYR A 76 2.983 -12.699 1.628 1.00 0.00 C ATOM 1172 CD1 TYR A 76 3.376 -12.535 2.932 1.00 0.00 C ATOM 1173 CD2 TYR A 76 3.613 -11.950 0.667 1.00 0.00 C ATOM 1174 CE1 TYR A 76 4.372 -11.648 3.271 1.00 0.00 C ATOM 1175 CE2 TYR A 76 4.615 -11.061 0.977 1.00 0.00 C ATOM 1176 CZ TYR A 76 4.994 -10.914 2.295 1.00 0.00 C ATOM 1177 OH TYR A 76 5.991 -10.028 2.637 1.00 0.00 O ATOM 0 H TYR A 76 1.178 -14.973 3.300 1.00 0.00 H new ATOM 0 HA TYR A 76 0.379 -12.453 2.102 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.270 -14.689 1.402 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.724 -13.581 0.159 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.895 -13.113 3.707 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.313 -12.062 -0.364 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.663 -11.530 4.304 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.098 -10.487 0.200 1.00 0.00 H new ATOM 0 HH TYR A 76 6.329 -9.588 1.829 1.00 0.00 H new ATOM 1187 N VAL A 77 -0.826 -13.516 0.026 1.00 0.00 N ATOM 1188 CA VAL A 77 -1.794 -14.038 -0.886 1.00 0.00 C ATOM 1189 C VAL A 77 -1.135 -14.507 -2.198 1.00 0.00 C ATOM 1190 O VAL A 77 -0.996 -13.749 -3.174 1.00 0.00 O ATOM 1191 CB VAL A 77 -2.909 -13.016 -1.214 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -3.858 -13.657 -2.177 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -3.662 -12.593 0.046 1.00 0.00 C ATOM 0 H VAL A 77 -0.397 -12.639 -0.270 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.249 -14.891 -0.383 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.461 -12.122 -1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.655 -12.955 -2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.323 -13.933 -3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.289 -14.550 -1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.438 -11.875 -0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.119 -13.468 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.967 -12.134 0.748 1.00 0.00 H new ATOM 1203 N GLU A 78 -0.562 -15.680 -2.139 1.00 0.00 N ATOM 1204 CA GLU A 78 -0.033 -16.402 -3.311 1.00 0.00 C ATOM 1205 C GLU A 78 -1.096 -16.877 -4.258 1.00 0.00 C ATOM 1206 O GLU A 78 -0.790 -17.439 -5.324 1.00 0.00 O ATOM 1207 CB GLU A 78 0.783 -17.607 -2.892 1.00 0.00 C ATOM 1208 CG GLU A 78 2.043 -17.317 -2.087 1.00 0.00 C ATOM 1209 CD GLU A 78 1.817 -17.334 -0.599 1.00 0.00 C ATOM 1210 OE1 GLU A 78 0.997 -16.567 -0.101 1.00 0.00 O ATOM 1211 OE2 GLU A 78 2.443 -18.162 0.096 1.00 0.00 O ATOM 0 H GLU A 78 -0.438 -16.188 -1.264 1.00 0.00 H new ATOM 0 HA GLU A 78 0.588 -15.670 -3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.144 -18.266 -2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.068 -18.157 -3.789 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.805 -18.054 -2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.434 -16.342 -2.377 1.00 0.00 H new ATOM 1218 N ASP A 79 -2.316 -16.617 -3.901 1.00 0.00 N ATOM 1219 CA ASP A 79 -3.442 -17.002 -4.655 1.00 0.00 C ATOM 1220 C ASP A 79 -3.440 -16.313 -5.973 1.00 0.00 C ATOM 1221 O ASP A 79 -2.898 -15.213 -6.125 1.00 0.00 O ATOM 1222 CB ASP A 79 -4.741 -16.650 -3.958 1.00 0.00 C ATOM 1223 CG ASP A 79 -4.893 -17.277 -2.593 1.00 0.00 C ATOM 1224 OD1 ASP A 79 -4.912 -18.523 -2.499 1.00 0.00 O ATOM 1225 OD2 ASP A 79 -4.992 -16.555 -1.593 1.00 0.00 O ATOM 0 H ASP A 79 -2.550 -16.113 -3.046 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.379 -18.083 -4.777 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.806 -15.567 -3.859 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.575 -16.963 -4.586 1.00 0.00 H new ATOM 1230 N SER A 80 -4.012 -16.949 -6.919 1.00 0.00 N ATOM 1231 CA SER A 80 -4.104 -16.427 -8.220 1.00 0.00 C ATOM 1232 C SER A 80 -5.223 -15.432 -8.303 1.00 0.00 C ATOM 1233 O SER A 80 -5.088 -14.376 -8.905 1.00 0.00 O ATOM 1234 CB SER A 80 -4.329 -17.541 -9.171 1.00 0.00 C ATOM 1235 OG SER A 80 -3.246 -18.461 -9.167 1.00 0.00 O ATOM 0 H SER A 80 -4.439 -17.869 -6.806 1.00 0.00 H new ATOM 0 HA SER A 80 -3.176 -15.915 -8.475 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.250 -18.062 -8.910 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.463 -17.140 -10.176 1.00 0.00 H new ATOM 0 HG SER A 80 -3.428 -19.183 -9.804 1.00 0.00 H new ATOM 1241 N PHE A 81 -6.299 -15.765 -7.675 1.00 0.00 N ATOM 1242 CA PHE A 81 -7.464 -14.981 -7.633 1.00 0.00 C ATOM 1243 C PHE A 81 -7.916 -14.875 -6.209 1.00 0.00 C ATOM 1244 O PHE A 81 -7.641 -15.759 -5.393 1.00 0.00 O ATOM 1245 CB PHE A 81 -8.547 -15.628 -8.460 1.00 0.00 C ATOM 1246 CG PHE A 81 -8.344 -15.543 -9.941 1.00 0.00 C ATOM 1247 CD1 PHE A 81 -7.477 -16.400 -10.575 1.00 0.00 C ATOM 1248 CD2 PHE A 81 -9.007 -14.593 -10.692 1.00 0.00 C ATOM 1249 CE1 PHE A 81 -7.268 -16.322 -11.940 1.00 0.00 C ATOM 1250 CE2 PHE A 81 -8.807 -14.504 -12.057 1.00 0.00 C ATOM 1251 CZ PHE A 81 -7.937 -15.371 -12.682 1.00 0.00 C ATOM 0 H PHE A 81 -6.384 -16.638 -7.154 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.258 -13.990 -8.036 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.621 -16.678 -8.178 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.501 -15.163 -8.211 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.951 -17.146 -9.998 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.690 -13.911 -10.207 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.583 -17.003 -12.423 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.332 -13.756 -12.633 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.780 -15.306 -13.749 1.00 0.00 H new ATOM 1261 N LEU A 82 -8.595 -13.814 -5.926 1.00 0.00 N ATOM 1262 CA LEU A 82 -9.112 -13.546 -4.613 1.00 0.00 C ATOM 1263 C LEU A 82 -10.440 -14.201 -4.436 1.00 0.00 C ATOM 1264 O LEU A 82 -11.158 -14.465 -5.404 1.00 0.00 O ATOM 1265 CB LEU A 82 -9.258 -12.046 -4.417 1.00 0.00 C ATOM 1266 CG LEU A 82 -7.963 -11.328 -4.048 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -8.184 -9.840 -3.923 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -7.400 -11.905 -2.746 1.00 0.00 C ATOM 0 H LEU A 82 -8.814 -13.090 -6.610 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.418 -13.946 -3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.652 -11.609 -5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.995 -11.864 -3.635 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.238 -11.488 -4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.245 -9.354 -3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.543 -9.444 -4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.924 -9.646 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.476 -11.388 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.126 -11.771 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.197 -12.968 -2.877 1.00 0.00 H new ATOM 1280 N THR A 83 -10.744 -14.485 -3.227 1.00 0.00 N ATOM 1281 CA THR A 83 -11.988 -15.030 -2.879 1.00 0.00 C ATOM 1282 C THR A 83 -12.755 -13.949 -2.132 1.00 0.00 C ATOM 1283 O THR A 83 -12.122 -13.029 -1.581 1.00 0.00 O ATOM 1284 CB THR A 83 -11.801 -16.258 -1.960 1.00 0.00 C ATOM 1285 OG1 THR A 83 -11.128 -15.858 -0.763 1.00 0.00 O ATOM 1286 CG2 THR A 83 -10.974 -17.331 -2.650 1.00 0.00 C ATOM 0 H THR A 83 -10.116 -14.339 -2.437 1.00 0.00 H new ATOM 0 HA THR A 83 -12.525 -15.354 -3.771 1.00 0.00 H new ATOM 0 HB THR A 83 -12.785 -16.664 -1.727 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.010 -16.636 -0.178 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.856 -18.185 -1.983 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.479 -17.650 -3.562 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.992 -16.929 -2.901 1.00 0.00 H new ATOM 1294 N PRO A 84 -14.098 -13.991 -2.118 1.00 0.00 N ATOM 1295 CA PRO A 84 -14.897 -13.069 -1.310 1.00 0.00 C ATOM 1296 C PRO A 84 -14.486 -13.170 0.155 1.00 0.00 C ATOM 1297 O PRO A 84 -14.473 -12.186 0.869 1.00 0.00 O ATOM 1298 CB PRO A 84 -16.327 -13.565 -1.507 1.00 0.00 C ATOM 1299 CG PRO A 84 -16.300 -14.248 -2.826 1.00 0.00 C ATOM 1300 CD PRO A 84 -14.944 -14.884 -2.924 1.00 0.00 C ATOM 0 HA PRO A 84 -14.773 -12.024 -1.596 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.624 -14.248 -0.711 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -17.039 -12.740 -1.501 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -17.090 -14.996 -2.896 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.460 -13.539 -3.638 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.946 -15.901 -2.531 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.600 -14.942 -3.957 1.00 0.00 H new ATOM 1308 N GLU A 85 -14.113 -14.375 0.562 1.00 0.00 N ATOM 1309 CA GLU A 85 -13.629 -14.648 1.896 1.00 0.00 C ATOM 1310 C GLU A 85 -12.369 -13.821 2.203 1.00 0.00 C ATOM 1311 O GLU A 85 -12.276 -13.196 3.257 1.00 0.00 O ATOM 1312 CB GLU A 85 -13.360 -16.146 2.041 1.00 0.00 C ATOM 1313 CG GLU A 85 -14.575 -17.013 1.715 1.00 0.00 C ATOM 1314 CD GLU A 85 -14.303 -18.494 1.836 1.00 0.00 C ATOM 1315 OE1 GLU A 85 -13.861 -19.116 0.851 1.00 0.00 O ATOM 1316 OE2 GLU A 85 -14.534 -19.071 2.912 1.00 0.00 O ATOM 0 H GLU A 85 -14.141 -15.199 -0.039 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.390 -14.356 2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.536 -16.425 1.384 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.038 -16.353 3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.393 -16.745 2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.907 -16.794 0.700 1.00 0.00 H new ATOM 1323 N ARG A 86 -11.424 -13.792 1.258 1.00 0.00 N ATOM 1324 CA ARG A 86 -10.214 -13.004 1.419 1.00 0.00 C ATOM 1325 C ARG A 86 -10.527 -11.533 1.479 1.00 0.00 C ATOM 1326 O ARG A 86 -9.913 -10.804 2.238 1.00 0.00 O ATOM 1327 CB ARG A 86 -9.193 -13.280 0.338 1.00 0.00 C ATOM 1328 CG ARG A 86 -8.494 -14.620 0.418 1.00 0.00 C ATOM 1329 CD ARG A 86 -7.711 -14.773 1.707 1.00 0.00 C ATOM 1330 NE ARG A 86 -6.630 -13.787 1.858 1.00 0.00 N ATOM 1331 CZ ARG A 86 -6.223 -13.305 3.044 1.00 0.00 C ATOM 1332 NH1 ARG A 86 -7.054 -13.305 4.091 1.00 0.00 N ATOM 1333 NH2 ARG A 86 -5.015 -12.756 3.165 1.00 0.00 N ATOM 0 H ARG A 86 -11.480 -14.306 0.379 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.772 -13.309 2.368 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.688 -13.207 -0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.437 -12.495 0.369 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.232 -15.419 0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.820 -14.729 -0.431 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.395 -14.683 2.551 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.286 -15.776 1.747 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.164 -13.451 1.016 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.000 -13.672 3.991 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.742 -12.938 4.990 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.397 -12.701 2.356 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.709 -12.391 4.067 1.00 0.00 H new ATOM 1347 N LEU A 87 -11.486 -11.114 0.685 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.925 -9.742 0.664 1.00 0.00 C ATOM 1349 C LEU A 87 -12.533 -9.370 2.012 1.00 0.00 C ATOM 1350 O LEU A 87 -12.196 -8.350 2.594 1.00 0.00 O ATOM 1351 CB LEU A 87 -12.936 -9.537 -0.461 1.00 0.00 C ATOM 1352 CG LEU A 87 -12.452 -9.843 -1.863 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -13.541 -9.560 -2.891 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -11.231 -9.034 -2.148 1.00 0.00 C ATOM 0 H LEU A 87 -11.984 -11.720 0.033 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.069 -9.092 0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.807 -10.160 -0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.272 -8.501 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.206 -10.903 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.167 -9.788 -3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.412 -10.181 -2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.824 -8.509 -2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.878 -9.251 -3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.470 -7.974 -2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.452 -9.286 -1.429 1.00 0.00 H new ATOM 1366 N VAL A 88 -13.397 -10.220 2.499 1.00 0.00 N ATOM 1367 CA VAL A 88 -14.055 -10.046 3.743 1.00 0.00 C ATOM 1368 C VAL A 88 -13.141 -10.009 4.930 1.00 0.00 C ATOM 1369 O VAL A 88 -13.256 -9.100 5.782 1.00 0.00 O ATOM 1370 CB VAL A 88 -15.254 -11.001 3.848 1.00 0.00 C ATOM 1371 CG1 VAL A 88 -15.705 -11.064 5.248 1.00 0.00 C ATOM 1372 CG2 VAL A 88 -16.409 -10.701 2.939 1.00 0.00 C ATOM 0 H VAL A 88 -13.663 -11.078 2.016 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.467 -9.037 3.767 1.00 0.00 H new ATOM 0 HB VAL A 88 -14.887 -11.968 3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.556 -11.741 5.326 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.892 -11.429 5.876 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -16.001 -10.069 5.580 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -17.197 -11.437 3.097 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -16.794 -9.705 3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -16.076 -10.743 1.902 1.00 0.00 H new ATOM 1382 N GLU A 89 -12.227 -10.924 4.985 1.00 0.00 N ATOM 1383 CA GLU A 89 -11.227 -10.902 6.008 1.00 0.00 C ATOM 1384 C GLU A 89 -10.275 -9.712 5.860 1.00 0.00 C ATOM 1385 O GLU A 89 -9.632 -9.291 6.822 1.00 0.00 O ATOM 1386 CB GLU A 89 -10.468 -12.170 6.034 1.00 0.00 C ATOM 1387 CG GLU A 89 -11.254 -13.329 6.626 1.00 0.00 C ATOM 1388 CD GLU A 89 -11.772 -13.025 8.018 1.00 0.00 C ATOM 1389 OE1 GLU A 89 -10.971 -13.044 8.972 1.00 0.00 O ATOM 1390 OE2 GLU A 89 -12.983 -12.758 8.182 1.00 0.00 O ATOM 0 H GLU A 89 -12.151 -11.702 4.329 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.749 -10.787 6.958 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.166 -12.426 5.018 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.555 -12.027 6.611 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.094 -13.566 5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.619 -14.214 6.663 1.00 0.00 H new ATOM 1397 N ALA A 90 -10.138 -9.222 4.662 1.00 0.00 N ATOM 1398 CA ALA A 90 -9.324 -8.022 4.418 1.00 0.00 C ATOM 1399 C ALA A 90 -10.031 -6.721 4.789 1.00 0.00 C ATOM 1400 O ALA A 90 -9.392 -5.848 5.391 1.00 0.00 O ATOM 1401 CB ALA A 90 -8.787 -7.964 3.023 1.00 0.00 C ATOM 0 H ALA A 90 -10.570 -9.619 3.828 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.475 -8.119 5.094 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.194 -7.058 2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.160 -8.836 2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.615 -7.956 2.314 1.00 0.00 H new ATOM 1407 N GLU A 91 -11.348 -6.561 4.440 1.00 0.00 N ATOM 1408 CA GLU A 91 -12.101 -5.367 4.857 1.00 0.00 C ATOM 1409 C GLU A 91 -12.058 -5.112 6.338 1.00 0.00 C ATOM 1410 O GLU A 91 -12.395 -4.015 6.805 1.00 0.00 O ATOM 1411 CB GLU A 91 -13.546 -5.371 4.435 1.00 0.00 C ATOM 1412 CG GLU A 91 -13.836 -4.725 3.098 1.00 0.00 C ATOM 1413 CD GLU A 91 -15.204 -4.060 3.103 1.00 0.00 C ATOM 1414 OE1 GLU A 91 -15.311 -2.907 3.591 1.00 0.00 O ATOM 1415 OE2 GLU A 91 -16.217 -4.685 2.682 1.00 0.00 O ATOM 0 H GLU A 91 -11.882 -7.231 3.887 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.579 -4.566 4.333 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.894 -6.403 4.403 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.131 -4.861 5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.068 -3.985 2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.795 -5.477 2.310 1.00 0.00 H new ATOM 1422 N LYS A 92 -11.725 -6.138 7.076 1.00 0.00 N ATOM 1423 CA LYS A 92 -11.506 -6.052 8.491 1.00 0.00 C ATOM 1424 C LYS A 92 -10.494 -4.954 8.819 1.00 0.00 C ATOM 1425 O LYS A 92 -10.644 -4.234 9.796 1.00 0.00 O ATOM 1426 CB LYS A 92 -10.981 -7.372 8.999 1.00 0.00 C ATOM 1427 CG LYS A 92 -11.919 -8.548 8.791 1.00 0.00 C ATOM 1428 CD LYS A 92 -13.183 -8.452 9.603 1.00 0.00 C ATOM 1429 CE LYS A 92 -14.085 -9.645 9.332 1.00 0.00 C ATOM 1430 NZ LYS A 92 -15.316 -9.602 10.137 1.00 0.00 N ATOM 0 H LYS A 92 -11.596 -7.077 6.699 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.454 -5.812 8.972 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -10.035 -7.587 8.503 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.768 -7.278 10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -12.178 -8.615 7.734 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -11.398 -9.470 9.050 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -12.938 -8.409 10.664 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -13.709 -7.529 9.359 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -14.345 -9.669 8.274 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -13.543 -10.565 9.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -15.901 -10.434 9.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -15.070 -9.605 11.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -15.848 -8.737 9.913 1.00 0.00 H new ATOM 1444 N SER A 93 -9.458 -4.839 8.007 1.00 0.00 N ATOM 1445 CA SER A 93 -8.445 -3.830 8.211 1.00 0.00 C ATOM 1446 C SER A 93 -7.849 -3.241 6.898 1.00 0.00 C ATOM 1447 O SER A 93 -8.269 -2.169 6.436 1.00 0.00 O ATOM 1448 CB SER A 93 -7.383 -4.349 9.141 1.00 0.00 C ATOM 1449 OG SER A 93 -7.948 -4.689 10.407 1.00 0.00 O ATOM 0 H SER A 93 -9.300 -5.438 7.197 1.00 0.00 H new ATOM 0 HA SER A 93 -8.940 -2.979 8.679 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.904 -5.225 8.703 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.607 -3.595 9.273 1.00 0.00 H new ATOM 0 HG SER A 93 -7.337 -4.414 11.122 1.00 0.00 H new ATOM 1455 N TYR A 94 -6.902 -3.935 6.319 1.00 0.00 N ATOM 1456 CA TYR A 94 -6.205 -3.529 5.102 1.00 0.00 C ATOM 1457 C TYR A 94 -5.517 -4.752 4.486 1.00 0.00 C ATOM 1458 O TYR A 94 -5.586 -5.858 5.036 1.00 0.00 O ATOM 1459 CB TYR A 94 -5.041 -2.522 5.368 1.00 0.00 C ATOM 1460 CG TYR A 94 -4.049 -2.703 6.466 1.00 0.00 C ATOM 1461 CD1 TYR A 94 -4.452 -2.682 7.764 1.00 0.00 C ATOM 1462 CD2 TYR A 94 -2.697 -2.777 6.194 1.00 0.00 C ATOM 1463 CE1 TYR A 94 -3.551 -2.747 8.795 1.00 0.00 C ATOM 1464 CE2 TYR A 94 -1.776 -2.825 7.204 1.00 0.00 C ATOM 1465 CZ TYR A 94 -2.204 -2.812 8.509 1.00 0.00 C ATOM 1466 OH TYR A 94 -1.286 -2.857 9.531 1.00 0.00 O ATOM 0 H TYR A 94 -6.577 -4.829 6.686 1.00 0.00 H new ATOM 0 HA TYR A 94 -6.963 -3.073 4.465 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.470 -2.457 4.442 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.504 -1.548 5.526 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.506 -2.613 7.988 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.362 -2.797 5.168 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.892 -2.747 9.820 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.721 -2.873 6.977 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.381 -2.902 9.157 1.00 0.00 H new ATOM 1476 N PHE A 95 -4.828 -4.510 3.390 1.00 0.00 N ATOM 1477 CA PHE A 95 -3.926 -5.452 2.744 1.00 0.00 C ATOM 1478 C PHE A 95 -2.565 -4.797 2.712 1.00 0.00 C ATOM 1479 O PHE A 95 -2.488 -3.585 2.616 1.00 0.00 O ATOM 1480 CB PHE A 95 -4.321 -5.738 1.285 1.00 0.00 C ATOM 1481 CG PHE A 95 -5.180 -6.946 1.033 1.00 0.00 C ATOM 1482 CD1 PHE A 95 -4.798 -8.192 1.507 1.00 0.00 C ATOM 1483 CD2 PHE A 95 -6.338 -6.846 0.277 1.00 0.00 C ATOM 1484 CE1 PHE A 95 -5.560 -9.317 1.239 1.00 0.00 C ATOM 1485 CE2 PHE A 95 -7.101 -7.966 -0.005 1.00 0.00 C ATOM 1486 CZ PHE A 95 -6.711 -9.204 0.477 1.00 0.00 C ATOM 0 H PHE A 95 -4.881 -3.616 2.902 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.952 -6.392 3.296 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -4.845 -4.864 0.899 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.407 -5.845 0.702 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.895 -8.286 2.092 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.649 -5.882 -0.097 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.257 -10.280 1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.998 -7.874 -0.599 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.303 -10.080 0.259 1.00 0.00 H new ATOM 1496 N ILE A 96 -1.509 -5.553 2.814 1.00 0.00 N ATOM 1497 CA ILE A 96 -0.182 -4.967 2.717 1.00 0.00 C ATOM 1498 C ILE A 96 0.504 -5.470 1.452 1.00 0.00 C ATOM 1499 O ILE A 96 0.930 -6.607 1.385 1.00 0.00 O ATOM 1500 CB ILE A 96 0.703 -5.263 3.922 1.00 0.00 C ATOM 1501 CG1 ILE A 96 -0.077 -5.064 5.207 1.00 0.00 C ATOM 1502 CG2 ILE A 96 1.910 -4.322 3.900 1.00 0.00 C ATOM 1503 CD1 ILE A 96 0.746 -5.271 6.440 1.00 0.00 C ATOM 0 H ILE A 96 -1.528 -6.562 2.962 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.319 -3.886 2.685 1.00 0.00 H new ATOM 0 HB ILE A 96 1.041 -6.298 3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.490 -4.055 5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.920 -5.754 5.222 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.548 -4.528 4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.477 -4.478 2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.566 -3.288 3.943 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.126 -5.113 7.322 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.138 -6.288 6.449 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.575 -4.563 6.447 1.00 0.00 H new ATOM 1515 N LEU A 97 0.517 -4.642 0.446 1.00 0.00 N ATOM 1516 CA LEU A 97 1.133 -4.941 -0.823 1.00 0.00 C ATOM 1517 C LEU A 97 2.634 -4.753 -0.678 1.00 0.00 C ATOM 1518 O LEU A 97 3.148 -3.629 -0.565 1.00 0.00 O ATOM 1519 CB LEU A 97 0.525 -3.987 -1.877 1.00 0.00 C ATOM 1520 CG LEU A 97 0.562 -4.373 -3.375 1.00 0.00 C ATOM 1521 CD1 LEU A 97 1.480 -3.486 -4.167 1.00 0.00 C ATOM 1522 CD2 LEU A 97 0.902 -5.835 -3.578 1.00 0.00 C ATOM 0 H LEU A 97 0.090 -3.716 0.483 1.00 0.00 H new ATOM 0 HA LEU A 97 0.952 -5.968 -1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.519 -3.828 -1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.030 -3.026 -1.776 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.447 -4.217 -3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.473 -3.795 -5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.141 -2.453 -4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.493 -3.565 -3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.917 -6.060 -4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.882 -6.043 -3.150 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.152 -6.455 -3.086 1.00 0.00 H new ATOM 1534 N ARG A 98 3.323 -5.859 -0.610 1.00 0.00 N ATOM 1535 CA ARG A 98 4.735 -5.859 -0.342 1.00 0.00 C ATOM 1536 C ARG A 98 5.440 -6.628 -1.388 1.00 0.00 C ATOM 1537 O ARG A 98 4.828 -7.456 -2.085 1.00 0.00 O ATOM 1538 CB ARG A 98 5.024 -6.604 0.952 1.00 0.00 C ATOM 1539 CG ARG A 98 4.225 -6.182 2.140 1.00 0.00 C ATOM 1540 CD ARG A 98 4.565 -7.040 3.330 1.00 0.00 C ATOM 1541 NE ARG A 98 5.951 -6.830 3.783 1.00 0.00 N ATOM 1542 CZ ARG A 98 6.450 -7.270 4.943 1.00 0.00 C ATOM 1543 NH1 ARG A 98 5.680 -7.929 5.791 1.00 0.00 N ATOM 1544 NH2 ARG A 98 7.711 -7.025 5.262 1.00 0.00 N ATOM 0 H ARG A 98 2.921 -6.787 -0.739 1.00 0.00 H new ATOM 0 HA ARG A 98 5.059 -4.819 -0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.853 -7.667 0.782 1.00 0.00 H new ATOM 0 HB3 ARG A 98 6.081 -6.485 1.189 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.426 -5.135 2.369 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.161 -6.261 1.918 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.879 -6.816 4.147 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.423 -8.090 3.073 1.00 0.00 H new ATOM 0 HE ARG A 98 6.576 -6.311 3.166 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.702 -8.104 5.562 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.064 -8.263 6.675 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.306 -6.499 4.622 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.088 -7.362 6.148 1.00 0.00 H new ATOM 1558 N MET A 99 6.713 -6.367 -1.516 1.00 0.00 N ATOM 1559 CA MET A 99 7.526 -7.209 -2.271 1.00 0.00 C ATOM 1560 C MET A 99 7.806 -8.399 -1.413 1.00 0.00 C ATOM 1561 O MET A 99 8.149 -8.239 -0.226 1.00 0.00 O ATOM 1562 CB MET A 99 8.857 -6.572 -2.636 1.00 0.00 C ATOM 1563 CG MET A 99 8.728 -5.374 -3.518 1.00 0.00 C ATOM 1564 SD MET A 99 10.220 -4.977 -4.440 1.00 0.00 S ATOM 1565 CE MET A 99 10.262 -6.346 -5.601 1.00 0.00 C ATOM 0 H MET A 99 7.188 -5.568 -1.096 1.00 0.00 H new ATOM 0 HA MET A 99 7.016 -7.450 -3.204 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.375 -6.284 -1.721 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.480 -7.314 -3.135 1.00 0.00 H new ATOM 0 HG2 MET A 99 7.912 -5.540 -4.222 1.00 0.00 H new ATOM 0 HG3 MET A 99 8.452 -4.515 -2.907 1.00 0.00 H new ATOM 0 HE1 MET A 99 11.208 -6.878 -5.502 1.00 0.00 H new ATOM 0 HE2 MET A 99 9.438 -7.028 -5.390 1.00 0.00 H new ATOM 0 HE3 MET A 99 10.165 -5.964 -6.617 1.00 0.00 H new