USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 732 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 30 SER OG : rot -176:sc= -1.36! USER MOD Set 1.2: A 32 ASN : amide:sc= -5.9! K(o=-7.3!,f=-6.1) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.83 K(o=-0.83,f=-4.3!) USER MOD Single : A 8 SER OG : rot 160:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -148:sc= 0.284 (180deg=-0.101) USER MOD Single : A 20 LYS NZ :NH3+ 148:sc= -0.118 (180deg=-0.888) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -146:sc= 0.0597 (180deg=-0.000354) USER MOD Single : A 25 LYS NZ :NH3+ 179:sc= -0.343 (180deg=-0.346) USER MOD Single : A 26 TYR OH : rot -71:sc= 2.57 USER MOD Single : A 28 THR OG1 : rot 90:sc= 0.0139 USER MOD Single : A 31 SER OG : rot -44:sc= 0.0685 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -3.71! C(o=-3.7!,f=-4.2!) USER MOD Single : A 40 SER OG : rot 180:sc= -0.686 USER MOD Single : A 42 ASN : amide:sc= -0.0683 X(o=-0.068,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -7.66! K(o=-7.7!,f=-1.6) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 35:sc= 0.285 USER MOD Single : A 49 HIS : no HD1:sc=-0.00823 K(o=-0.0082,f=-0.75) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 152:sc= -11.9! (180deg=-14.7!) USER MOD Single : A 58 THR OG1 : rot -62:sc= -3.95 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0.00991 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -20:sc= 1.06 USER MOD Single : A 100 GLN : amide:sc=-0.00195 X(o=-0.002,f=-0.29) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -5.5! C(o=-5.5!,f=-7.4!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.0896 X(o=-0.09,f=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -2.05! C(o=-2!,f=-3.7!) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 -12.706 -11.898 12.308 1.00 0.00 N ATOM 38 CA ILE A 3 -12.475 -10.554 12.818 1.00 0.00 C ATOM 39 C ILE A 3 -12.270 -9.572 11.667 1.00 0.00 C ATOM 40 O ILE A 3 -11.559 -9.871 10.710 1.00 0.00 O ATOM 41 CB ILE A 3 -11.246 -10.502 13.747 1.00 0.00 C ATOM 42 CG1 ILE A 3 -11.245 -11.699 14.701 1.00 0.00 C ATOM 43 CG2 ILE A 3 -11.223 -9.197 14.528 1.00 0.00 C ATOM 44 CD1 ILE A 3 -12.406 -11.702 15.671 1.00 0.00 C ATOM 0 HA ILE A 3 -13.358 -10.273 13.391 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.347 -10.551 13.133 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -11.269 -12.619 14.116 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.312 -11.703 15.264 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.349 -9.178 15.179 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.177 -8.358 13.834 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -12.127 -9.119 15.132 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -12.340 -12.579 16.315 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -12.372 -10.800 16.282 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -13.344 -11.730 15.116 1.00 0.00 H new ATOM 56 N PRO A 4 -12.894 -8.386 11.739 1.00 0.00 N ATOM 57 CA PRO A 4 -12.769 -7.374 10.688 1.00 0.00 C ATOM 58 C PRO A 4 -11.337 -6.878 10.529 1.00 0.00 C ATOM 59 O PRO A 4 -10.697 -6.463 11.494 1.00 0.00 O ATOM 60 CB PRO A 4 -13.684 -6.237 11.159 1.00 0.00 C ATOM 61 CG PRO A 4 -13.850 -6.454 12.624 1.00 0.00 C ATOM 62 CD PRO A 4 -13.766 -7.938 12.837 1.00 0.00 C ATOM 0 HA PRO A 4 -13.043 -7.773 9.711 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -13.241 -5.263 10.952 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -14.645 -6.265 10.645 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -13.073 -5.935 13.185 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -14.807 -6.064 12.970 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -13.344 -8.182 13.812 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -14.748 -8.408 12.789 1.00 0.00 H new ATOM 70 N ILE A 5 -10.848 -6.927 9.297 1.00 0.00 N ATOM 71 CA ILE A 5 -9.493 -6.484 8.986 1.00 0.00 C ATOM 72 C ILE A 5 -9.473 -5.011 8.586 1.00 0.00 C ATOM 73 O ILE A 5 -8.434 -4.354 8.652 1.00 0.00 O ATOM 74 CB ILE A 5 -8.879 -7.329 7.854 1.00 0.00 C ATOM 75 CG1 ILE A 5 -9.018 -8.819 8.171 1.00 0.00 C ATOM 76 CG2 ILE A 5 -7.417 -6.961 7.646 1.00 0.00 C ATOM 77 CD1 ILE A 5 -8.229 -9.257 9.385 1.00 0.00 C ATOM 0 H ILE A 5 -11.372 -7.271 8.492 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.897 -6.614 9.889 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.419 -7.119 6.931 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -10.071 -9.051 8.330 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.690 -9.398 7.307 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.000 -7.568 6.843 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.341 -5.906 7.381 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.861 -7.145 8.566 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.376 -10.325 9.549 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.170 -9.057 9.222 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.572 -8.705 10.260 1.00 0.00 H new ATOM 89 N LYS A 6 -10.633 -4.494 8.188 1.00 0.00 N ATOM 90 CA LYS A 6 -10.771 -3.096 7.793 1.00 0.00 C ATOM 91 C LYS A 6 -12.199 -2.834 7.372 1.00 0.00 C ATOM 92 O LYS A 6 -12.634 -3.305 6.340 1.00 0.00 O ATOM 93 CB LYS A 6 -9.841 -2.746 6.620 1.00 0.00 C ATOM 94 CG LYS A 6 -8.936 -1.550 6.865 1.00 0.00 C ATOM 95 CD LYS A 6 -8.149 -1.679 8.163 1.00 0.00 C ATOM 96 CE LYS A 6 -7.791 -0.314 8.733 1.00 0.00 C ATOM 97 NZ LYS A 6 -7.161 -0.421 10.077 1.00 0.00 N ATOM 0 H LYS A 6 -11.499 -5.030 8.131 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.499 -2.478 8.649 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.221 -3.614 6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.449 -2.550 5.737 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.242 -1.445 6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.538 -0.642 6.896 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.736 -2.237 8.892 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.238 -2.250 7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.109 0.196 8.052 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.690 0.298 8.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.932 0.530 10.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.821 -0.885 10.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.289 -0.983 10.008 1.00 0.00 H new ATOM 111 N GLN A 7 -12.921 -2.074 8.159 1.00 0.00 N ATOM 112 CA GLN A 7 -14.300 -1.759 7.825 1.00 0.00 C ATOM 113 C GLN A 7 -14.547 -0.262 7.942 1.00 0.00 C ATOM 114 O GLN A 7 -14.572 0.288 9.043 1.00 0.00 O ATOM 115 CB GLN A 7 -15.262 -2.526 8.735 1.00 0.00 C ATOM 116 CG GLN A 7 -15.075 -2.221 10.211 1.00 0.00 C ATOM 117 CD GLN A 7 -15.768 -3.230 11.107 1.00 0.00 C ATOM 118 OE1 GLN A 7 -15.959 -4.386 10.728 1.00 0.00 O ATOM 119 NE2 GLN A 7 -16.149 -2.796 12.304 1.00 0.00 N ATOM 0 H GLN A 7 -12.586 -1.662 9.030 1.00 0.00 H new ATOM 0 HA GLN A 7 -14.481 -2.063 6.794 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -16.287 -2.287 8.450 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -15.127 -3.595 8.573 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -14.010 -2.206 10.443 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -15.462 -1.225 10.424 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -15.970 -1.830 12.577 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -16.620 -3.429 12.950 1.00 0.00 H new ATOM 128 N SER A 8 -14.719 0.393 6.802 1.00 0.00 N ATOM 129 CA SER A 8 -14.955 1.833 6.785 1.00 0.00 C ATOM 130 C SER A 8 -15.530 2.285 5.450 1.00 0.00 C ATOM 131 O SER A 8 -15.829 1.468 4.579 1.00 0.00 O ATOM 132 CB SER A 8 -13.652 2.583 7.071 1.00 0.00 C ATOM 133 OG SER A 8 -12.701 2.367 6.044 1.00 0.00 O ATOM 0 H SER A 8 -14.700 -0.045 5.881 1.00 0.00 H new ATOM 0 HA SER A 8 -15.683 2.062 7.563 1.00 0.00 H new ATOM 0 HB2 SER A 8 -13.856 3.650 7.163 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.242 2.254 8.026 1.00 0.00 H new ATOM 0 HG SER A 8 -12.026 3.077 6.068 1.00 0.00 H new ATOM 139 N PHE A 9 -15.684 3.597 5.297 1.00 0.00 N ATOM 140 CA PHE A 9 -16.228 4.166 4.071 1.00 0.00 C ATOM 141 C PHE A 9 -15.164 4.244 2.983 1.00 0.00 C ATOM 142 O PHE A 9 -13.989 4.488 3.261 1.00 0.00 O ATOM 143 CB PHE A 9 -16.803 5.562 4.334 1.00 0.00 C ATOM 144 CG PHE A 9 -17.488 5.702 5.666 1.00 0.00 C ATOM 145 CD1 PHE A 9 -18.158 4.629 6.234 1.00 0.00 C ATOM 146 CD2 PHE A 9 -17.463 6.907 6.348 1.00 0.00 C ATOM 147 CE1 PHE A 9 -18.787 4.756 7.458 1.00 0.00 C ATOM 148 CE2 PHE A 9 -18.089 7.040 7.572 1.00 0.00 C ATOM 149 CZ PHE A 9 -18.753 5.964 8.128 1.00 0.00 C ATOM 0 H PHE A 9 -15.439 4.286 6.008 1.00 0.00 H new ATOM 0 HA PHE A 9 -17.028 3.510 3.728 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -15.997 6.293 4.273 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -17.514 5.805 3.544 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -18.189 3.683 5.714 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -16.948 7.753 5.918 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -19.304 3.912 7.890 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -18.059 7.985 8.094 1.00 0.00 H new ATOM 0 HZ PHE A 9 -19.244 6.067 9.084 1.00 0.00 H new ATOM 159 N LEU A 10 -15.586 4.037 1.742 1.00 0.00 N ATOM 160 CA LEU A 10 -14.680 4.084 0.601 1.00 0.00 C ATOM 161 C LEU A 10 -15.347 4.769 -0.581 1.00 0.00 C ATOM 162 O LEU A 10 -16.567 4.717 -0.728 1.00 0.00 O ATOM 163 CB LEU A 10 -14.261 2.669 0.194 1.00 0.00 C ATOM 164 CG LEU A 10 -12.993 2.140 0.867 1.00 0.00 C ATOM 165 CD1 LEU A 10 -13.231 1.909 2.353 1.00 0.00 C ATOM 166 CD2 LEU A 10 -12.531 0.855 0.190 1.00 0.00 C ATOM 0 H LEU A 10 -16.556 3.834 1.499 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.797 4.652 0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -15.082 1.987 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.114 2.648 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.207 2.888 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.318 1.533 2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -13.516 2.849 2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.030 1.180 2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.628 0.490 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.315 0.101 0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.319 1.053 -0.861 1.00 0.00 H new ATOM 178 N LEU A 11 -14.548 5.398 -1.431 1.00 0.00 N ATOM 179 CA LEU A 11 -15.085 6.070 -2.607 1.00 0.00 C ATOM 180 C LEU A 11 -15.173 5.091 -3.771 1.00 0.00 C ATOM 181 O LEU A 11 -14.243 4.323 -4.014 1.00 0.00 O ATOM 182 CB LEU A 11 -14.215 7.274 -2.981 1.00 0.00 C ATOM 183 CG LEU A 11 -14.945 8.620 -2.982 1.00 0.00 C ATOM 184 CD1 LEU A 11 -15.611 8.869 -1.640 1.00 0.00 C ATOM 185 CD2 LEU A 11 -13.983 9.749 -3.320 1.00 0.00 C ATOM 0 H LEU A 11 -13.535 5.458 -1.331 1.00 0.00 H new ATOM 0 HA LEU A 11 -16.087 6.432 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.379 7.331 -2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.793 7.105 -3.972 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.720 8.589 -3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.124 9.830 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -16.332 8.077 -1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.855 8.879 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.520 10.698 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.184 9.781 -2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.555 9.579 -4.308 1.00 0.00 H new ATOM 197 N LYS A 12 -16.299 5.106 -4.479 1.00 0.00 N ATOM 198 CA LYS A 12 -16.501 4.203 -5.609 1.00 0.00 C ATOM 199 C LYS A 12 -16.767 4.978 -6.896 1.00 0.00 C ATOM 200 O LYS A 12 -17.816 5.601 -7.054 1.00 0.00 O ATOM 201 CB LYS A 12 -17.667 3.251 -5.325 1.00 0.00 C ATOM 202 CG LYS A 12 -17.948 2.276 -6.459 1.00 0.00 C ATOM 203 CD LYS A 12 -16.934 1.143 -6.488 1.00 0.00 C ATOM 204 CE LYS A 12 -15.961 1.293 -7.646 1.00 0.00 C ATOM 205 NZ LYS A 12 -16.626 1.078 -8.961 1.00 0.00 N ATOM 0 H LYS A 12 -17.083 5.731 -4.292 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.587 3.624 -5.741 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.452 2.687 -4.417 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.565 3.838 -5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -18.951 1.864 -6.346 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.927 2.808 -7.410 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -16.382 1.124 -5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -17.455 0.189 -6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.518 2.289 -7.622 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.146 0.579 -7.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.948 0.657 -9.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -17.436 0.437 -8.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.959 1.990 -9.335 1.00 0.00 H new ATOM 219 N ARG A 13 -15.808 4.925 -7.817 1.00 0.00 N ATOM 220 CA ARG A 13 -15.934 5.615 -9.095 1.00 0.00 C ATOM 221 C ARG A 13 -17.159 5.126 -9.861 1.00 0.00 C ATOM 222 O ARG A 13 -17.548 3.963 -9.751 1.00 0.00 O ATOM 223 CB ARG A 13 -14.674 5.404 -9.937 1.00 0.00 C ATOM 224 CG ARG A 13 -14.182 3.966 -9.943 1.00 0.00 C ATOM 225 CD ARG A 13 -13.430 3.638 -11.223 1.00 0.00 C ATOM 226 NE ARG A 13 -14.326 3.175 -12.280 1.00 0.00 N ATOM 227 CZ ARG A 13 -13.928 2.466 -13.334 1.00 0.00 C ATOM 228 NH1 ARG A 13 -12.649 2.140 -13.479 1.00 0.00 N ATOM 229 NH2 ARG A 13 -14.810 2.084 -14.248 1.00 0.00 N ATOM 0 H ARG A 13 -14.935 4.411 -7.701 1.00 0.00 H new ATOM 0 HA ARG A 13 -16.056 6.679 -8.894 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -14.876 5.715 -10.962 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -13.881 6.049 -9.558 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.531 3.800 -9.085 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -15.030 3.290 -9.835 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.893 4.523 -11.565 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.683 2.871 -11.019 1.00 0.00 H new ATOM 0 HE ARG A 13 -15.316 3.409 -12.206 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.966 2.433 -12.781 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.350 1.597 -14.289 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -15.793 2.334 -14.143 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.505 1.541 -15.056 1.00 0.00 H new ATOM 319 N LYS A 20 -13.589 11.167 -13.742 1.00 0.00 N ATOM 320 CA LYS A 20 -14.009 10.203 -12.728 1.00 0.00 C ATOM 321 C LYS A 20 -15.128 10.771 -11.854 1.00 0.00 C ATOM 322 O LYS A 20 -15.484 11.943 -11.964 1.00 0.00 O ATOM 323 CB LYS A 20 -12.818 9.798 -11.854 1.00 0.00 C ATOM 324 CG LYS A 20 -12.231 8.438 -12.207 1.00 0.00 C ATOM 325 CD LYS A 20 -13.278 7.337 -12.139 1.00 0.00 C ATOM 326 CE LYS A 20 -13.270 6.478 -13.395 1.00 0.00 C ATOM 327 NZ LYS A 20 -11.948 5.832 -13.619 1.00 0.00 N ATOM 0 HA LYS A 20 -14.392 9.322 -13.243 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.039 10.554 -11.945 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.132 9.788 -10.810 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.806 8.475 -13.210 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.414 8.206 -11.523 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.091 6.710 -11.267 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.265 7.780 -12.007 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.040 5.710 -13.314 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.523 7.094 -14.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.086 4.911 -14.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.363 6.440 -14.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.470 5.693 -12.706 1.00 0.00 H new ATOM 341 N GLU A 21 -15.669 9.923 -10.987 1.00 0.00 N ATOM 342 CA GLU A 21 -16.743 10.319 -10.088 1.00 0.00 C ATOM 343 C GLU A 21 -16.964 9.239 -9.039 1.00 0.00 C ATOM 344 O GLU A 21 -17.606 8.224 -9.302 1.00 0.00 O ATOM 345 CB GLU A 21 -18.034 10.570 -10.870 1.00 0.00 C ATOM 346 CG GLU A 21 -19.112 11.266 -10.057 1.00 0.00 C ATOM 347 CD GLU A 21 -20.339 10.400 -9.850 1.00 0.00 C ATOM 348 OE1 GLU A 21 -21.149 10.283 -10.794 1.00 0.00 O ATOM 349 OE2 GLU A 21 -20.491 9.838 -8.744 1.00 0.00 O ATOM 0 H GLU A 21 -15.378 8.950 -10.889 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.458 11.246 -9.590 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.805 11.174 -11.748 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.421 9.617 -11.231 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.704 11.549 -9.087 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -19.403 12.188 -10.561 1.00 0.00 H new ATOM 356 N TRP A 22 -16.409 9.461 -7.857 1.00 0.00 N ATOM 357 CA TRP A 22 -16.520 8.501 -6.769 1.00 0.00 C ATOM 358 C TRP A 22 -17.555 8.948 -5.742 1.00 0.00 C ATOM 359 O TRP A 22 -17.636 10.126 -5.396 1.00 0.00 O ATOM 360 CB TRP A 22 -15.162 8.315 -6.090 1.00 0.00 C ATOM 361 CG TRP A 22 -14.024 8.166 -7.056 1.00 0.00 C ATOM 362 CD1 TRP A 22 -13.659 9.038 -8.041 1.00 0.00 C ATOM 363 CD2 TRP A 22 -13.094 7.076 -7.123 1.00 0.00 C ATOM 364 NE1 TRP A 22 -12.566 8.557 -8.718 1.00 0.00 N ATOM 365 CE2 TRP A 22 -12.202 7.357 -8.175 1.00 0.00 C ATOM 366 CE3 TRP A 22 -12.929 5.890 -6.399 1.00 0.00 C ATOM 367 CZ2 TRP A 22 -11.165 6.498 -8.517 1.00 0.00 C ATOM 368 CZ3 TRP A 22 -11.893 5.040 -6.745 1.00 0.00 C ATOM 369 CH2 TRP A 22 -11.031 5.350 -7.791 1.00 0.00 C ATOM 0 H TRP A 22 -15.876 10.300 -7.626 1.00 0.00 H new ATOM 0 HA TRP A 22 -16.846 7.551 -7.192 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -14.969 9.170 -5.442 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -15.203 7.433 -5.450 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -14.158 9.971 -8.256 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.101 9.020 -9.499 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -13.597 5.643 -5.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -10.490 6.730 -9.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -11.752 4.122 -6.194 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -10.234 4.664 -8.036 1.00 0.00 H new ATOM 380 N LYS A 23 -18.341 7.993 -5.253 1.00 0.00 N ATOM 381 CA LYS A 23 -19.368 8.278 -4.259 1.00 0.00 C ATOM 382 C LYS A 23 -19.046 7.581 -2.943 1.00 0.00 C ATOM 383 O LYS A 23 -18.301 6.602 -2.916 1.00 0.00 O ATOM 384 CB LYS A 23 -20.740 7.828 -4.767 1.00 0.00 C ATOM 385 CG LYS A 23 -21.427 8.854 -5.656 1.00 0.00 C ATOM 386 CD LYS A 23 -22.745 9.322 -5.058 1.00 0.00 C ATOM 387 CE LYS A 23 -23.477 10.268 -5.995 1.00 0.00 C ATOM 388 NZ LYS A 23 -24.698 10.842 -5.363 1.00 0.00 N ATOM 0 H LYS A 23 -18.285 7.013 -5.531 1.00 0.00 H new ATOM 0 HA LYS A 23 -19.390 9.354 -4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -20.625 6.897 -5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.382 7.612 -3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -20.768 9.710 -5.800 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -21.607 8.421 -6.640 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -23.376 8.459 -4.845 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -22.557 9.822 -4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -22.808 11.076 -6.291 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -23.755 9.735 -6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -25.168 11.482 -6.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -25.349 10.073 -5.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -24.430 11.372 -4.509 1.00 0.00 H new ATOM 402 N LYS A 24 -19.606 8.092 -1.852 1.00 0.00 N ATOM 403 CA LYS A 24 -19.371 7.514 -0.535 1.00 0.00 C ATOM 404 C LYS A 24 -19.903 6.085 -0.466 1.00 0.00 C ATOM 405 O LYS A 24 -21.083 5.838 -0.713 1.00 0.00 O ATOM 406 CB LYS A 24 -20.028 8.374 0.547 1.00 0.00 C ATOM 407 CG LYS A 24 -19.072 9.353 1.208 1.00 0.00 C ATOM 408 CD LYS A 24 -18.116 8.648 2.155 1.00 0.00 C ATOM 409 CE LYS A 24 -17.736 9.536 3.328 1.00 0.00 C ATOM 410 NZ LYS A 24 -18.816 9.598 4.352 1.00 0.00 N ATOM 0 H LYS A 24 -20.224 8.903 -1.854 1.00 0.00 H new ATOM 0 HA LYS A 24 -18.295 7.488 -0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -20.856 8.929 0.106 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -20.452 7.722 1.310 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -18.503 9.881 0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -19.641 10.104 1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.578 7.733 2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.217 8.354 1.614 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.822 9.159 3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.520 10.542 2.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.830 10.543 4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -19.734 9.411 3.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -18.640 8.883 5.086 1.00 0.00 H new ATOM 424 N LYS A 25 -19.020 5.149 -0.132 1.00 0.00 N ATOM 425 CA LYS A 25 -19.391 3.743 -0.031 1.00 0.00 C ATOM 426 C LYS A 25 -19.027 3.184 1.341 1.00 0.00 C ATOM 427 O LYS A 25 -18.597 3.921 2.226 1.00 0.00 O ATOM 428 CB LYS A 25 -18.700 2.932 -1.131 1.00 0.00 C ATOM 429 CG LYS A 25 -19.662 2.138 -1.999 1.00 0.00 C ATOM 430 CD LYS A 25 -20.203 2.979 -3.143 1.00 0.00 C ATOM 431 CE LYS A 25 -20.459 2.137 -4.381 1.00 0.00 C ATOM 432 NZ LYS A 25 -21.802 1.496 -4.351 1.00 0.00 N ATOM 0 H LYS A 25 -18.040 5.341 0.074 1.00 0.00 H new ATOM 0 HA LYS A 25 -20.471 3.665 -0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -18.127 3.609 -1.764 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -17.988 2.246 -0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.153 1.261 -2.399 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.490 1.776 -1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -21.129 3.463 -2.833 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -19.493 3.771 -3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.376 2.763 -5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -19.691 1.367 -4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.943 0.945 -5.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -21.867 0.865 -3.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -22.536 2.230 -4.284 1.00 0.00 H new ATOM 446 N TYR A 26 -19.206 1.878 1.508 1.00 0.00 N ATOM 447 CA TYR A 26 -18.899 1.219 2.772 1.00 0.00 C ATOM 448 C TYR A 26 -18.346 -0.181 2.524 1.00 0.00 C ATOM 449 O TYR A 26 -19.045 -1.046 2.008 1.00 0.00 O ATOM 450 CB TYR A 26 -20.158 1.143 3.636 1.00 0.00 C ATOM 451 CG TYR A 26 -19.923 0.590 5.023 1.00 0.00 C ATOM 452 CD1 TYR A 26 -19.914 -0.779 5.257 1.00 0.00 C ATOM 453 CD2 TYR A 26 -19.715 1.441 6.101 1.00 0.00 C ATOM 454 CE1 TYR A 26 -19.706 -1.284 6.526 1.00 0.00 C ATOM 455 CE2 TYR A 26 -19.505 0.944 7.373 1.00 0.00 C ATOM 456 CZ TYR A 26 -19.501 -0.419 7.580 1.00 0.00 C ATOM 457 OH TYR A 26 -19.293 -0.919 8.845 1.00 0.00 O ATOM 0 H TYR A 26 -19.562 1.255 0.783 1.00 0.00 H new ATOM 0 HA TYR A 26 -18.141 1.801 3.296 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -20.587 2.141 3.723 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -20.896 0.522 3.129 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -20.072 -1.460 4.434 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -19.717 2.509 5.942 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -19.704 -2.351 6.692 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -19.345 1.619 8.200 1.00 0.00 H new ATOM 0 HH TYR A 26 -20.131 -1.292 9.191 1.00 0.00 H new ATOM 467 N VAL A 27 -17.086 -0.399 2.889 1.00 0.00 N ATOM 468 CA VAL A 27 -16.453 -1.700 2.690 1.00 0.00 C ATOM 469 C VAL A 27 -16.004 -2.310 4.006 1.00 0.00 C ATOM 470 O VAL A 27 -15.610 -1.598 4.930 1.00 0.00 O ATOM 471 CB VAL A 27 -15.214 -1.614 1.772 1.00 0.00 C ATOM 472 CG1 VAL A 27 -15.026 -2.917 1.015 1.00 0.00 C ATOM 473 CG2 VAL A 27 -15.326 -0.445 0.805 1.00 0.00 C ATOM 0 H VAL A 27 -16.486 0.303 3.322 1.00 0.00 H new ATOM 0 HA VAL A 27 -17.214 -2.324 2.222 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.339 -1.445 2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.149 -2.841 0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.887 -3.733 1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.907 -3.114 0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -14.439 -0.410 0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -16.212 -0.571 0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -15.407 0.485 1.367 1.00 0.00 H new ATOM 483 N THR A 28 -16.030 -3.637 4.073 1.00 0.00 N ATOM 484 CA THR A 28 -15.583 -4.333 5.267 1.00 0.00 C ATOM 485 C THR A 28 -14.764 -5.569 4.917 1.00 0.00 C ATOM 486 O THR A 28 -15.291 -6.561 4.408 1.00 0.00 O ATOM 487 CB THR A 28 -16.751 -4.742 6.164 1.00 0.00 C ATOM 488 OG1 THR A 28 -17.501 -3.607 6.565 1.00 0.00 O ATOM 489 CG2 THR A 28 -16.295 -5.469 7.417 1.00 0.00 C ATOM 0 H THR A 28 -16.353 -4.245 3.320 1.00 0.00 H new ATOM 0 HA THR A 28 -14.955 -3.629 5.813 1.00 0.00 H new ATOM 0 HB THR A 28 -17.365 -5.417 5.567 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.214 -3.439 5.914 1.00 0.00 H new ATOM 0 HG21 THR A 28 -17.164 -5.737 8.019 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.755 -6.373 7.137 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.639 -4.819 7.996 1.00 0.00 H new ATOM 497 N LEU A 29 -13.481 -5.506 5.230 1.00 0.00 N ATOM 498 CA LEU A 29 -12.573 -6.611 5.009 1.00 0.00 C ATOM 499 C LEU A 29 -12.589 -7.487 6.248 1.00 0.00 C ATOM 500 O LEU A 29 -12.235 -7.028 7.332 1.00 0.00 O ATOM 501 CB LEU A 29 -11.157 -6.098 4.750 1.00 0.00 C ATOM 502 CG LEU A 29 -10.459 -6.712 3.541 1.00 0.00 C ATOM 503 CD1 LEU A 29 -10.329 -8.216 3.711 1.00 0.00 C ATOM 504 CD2 LEU A 29 -11.214 -6.381 2.264 1.00 0.00 C ATOM 0 H LEU A 29 -13.042 -4.684 5.645 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.888 -7.181 4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.197 -5.017 4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.551 -6.288 5.636 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.458 -6.286 3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.829 -8.639 2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.744 -8.432 4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.320 -8.658 3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.701 -6.827 1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.227 -6.779 2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.256 -5.299 2.136 1.00 0.00 H new ATOM 516 N SER A 30 -13.025 -8.727 6.097 1.00 0.00 N ATOM 517 CA SER A 30 -13.108 -9.641 7.228 1.00 0.00 C ATOM 518 C SER A 30 -12.004 -10.686 7.181 1.00 0.00 C ATOM 519 O SER A 30 -11.352 -10.874 6.153 1.00 0.00 O ATOM 520 CB SER A 30 -14.474 -10.324 7.258 1.00 0.00 C ATOM 521 OG SER A 30 -14.442 -11.500 8.048 1.00 0.00 O ATOM 0 H SER A 30 -13.326 -9.124 5.207 1.00 0.00 H new ATOM 0 HA SER A 30 -12.979 -9.055 8.138 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.219 -9.635 7.656 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.781 -10.573 6.242 1.00 0.00 H new ATOM 0 HG SER A 30 -15.311 -11.950 8.000 1.00 0.00 H new ATOM 527 N SER A 31 -11.800 -11.361 8.305 1.00 0.00 N ATOM 528 CA SER A 31 -10.772 -12.389 8.401 1.00 0.00 C ATOM 529 C SER A 31 -11.220 -13.704 7.755 1.00 0.00 C ATOM 530 O SER A 31 -10.476 -14.685 7.763 1.00 0.00 O ATOM 531 CB SER A 31 -10.400 -12.637 9.864 1.00 0.00 C ATOM 532 OG SER A 31 -9.109 -13.212 9.972 1.00 0.00 O ATOM 0 H SER A 31 -12.333 -11.215 9.163 1.00 0.00 H new ATOM 0 HA SER A 31 -9.899 -12.025 7.859 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.430 -11.697 10.414 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.135 -13.298 10.322 1.00 0.00 H new ATOM 0 HG SER A 31 -9.012 -13.926 9.308 1.00 0.00 H new ATOM 538 N ASN A 32 -12.431 -13.727 7.195 1.00 0.00 N ATOM 539 CA ASN A 32 -12.949 -14.934 6.553 1.00 0.00 C ATOM 540 C ASN A 32 -12.657 -14.935 5.059 1.00 0.00 C ATOM 541 O ASN A 32 -13.375 -15.559 4.278 1.00 0.00 O ATOM 542 CB ASN A 32 -14.453 -15.103 6.803 1.00 0.00 C ATOM 543 CG ASN A 32 -15.218 -13.794 6.804 1.00 0.00 C ATOM 544 OD1 ASN A 32 -15.997 -13.519 7.717 1.00 0.00 O ATOM 545 ND2 ASN A 32 -15.003 -12.978 5.780 1.00 0.00 N ATOM 0 H ASN A 32 -13.066 -12.929 7.173 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.434 -15.782 7.003 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.869 -15.757 6.037 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.600 -15.601 7.761 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -15.492 -12.084 5.729 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -14.349 -13.244 5.044 1.00 0.00 H new ATOM 552 N GLY A 33 -11.604 -14.231 4.666 1.00 0.00 N ATOM 553 CA GLY A 33 -11.241 -14.166 3.265 1.00 0.00 C ATOM 554 C GLY A 33 -12.388 -13.679 2.410 1.00 0.00 C ATOM 555 O GLY A 33 -12.639 -14.215 1.330 1.00 0.00 O ATOM 0 H GLY A 33 -10.995 -13.704 5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.387 -13.500 3.141 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.927 -15.153 2.925 1.00 0.00 H new ATOM 559 N PHE A 34 -13.090 -12.664 2.896 1.00 0.00 N ATOM 560 CA PHE A 34 -14.219 -12.113 2.167 1.00 0.00 C ATOM 561 C PHE A 34 -14.240 -10.594 2.238 1.00 0.00 C ATOM 562 O PHE A 34 -14.183 -10.006 3.318 1.00 0.00 O ATOM 563 CB PHE A 34 -15.529 -12.679 2.711 1.00 0.00 C ATOM 564 CG PHE A 34 -16.326 -13.404 1.675 1.00 0.00 C ATOM 565 CD1 PHE A 34 -16.744 -12.750 0.528 1.00 0.00 C ATOM 566 CD2 PHE A 34 -16.647 -14.738 1.841 1.00 0.00 C ATOM 567 CE1 PHE A 34 -17.472 -13.417 -0.437 1.00 0.00 C ATOM 568 CE2 PHE A 34 -17.373 -15.413 0.879 1.00 0.00 C ATOM 569 CZ PHE A 34 -17.787 -14.751 -0.262 1.00 0.00 C ATOM 0 H PHE A 34 -12.897 -12.209 3.788 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.110 -12.401 1.121 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -15.311 -13.358 3.535 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -16.128 -11.865 3.119 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -16.498 -11.708 0.387 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -16.327 -15.258 2.732 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -17.795 -12.897 -1.327 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -17.617 -16.456 1.018 1.00 0.00 H new ATOM 0 HZ PHE A 34 -18.356 -15.276 -1.015 1.00 0.00 H new ATOM 579 N LEU A 35 -14.337 -9.968 1.073 1.00 0.00 N ATOM 580 CA LEU A 35 -14.384 -8.517 0.987 1.00 0.00 C ATOM 581 C LEU A 35 -15.794 -8.072 0.609 1.00 0.00 C ATOM 582 O LEU A 35 -16.287 -8.406 -0.467 1.00 0.00 O ATOM 583 CB LEU A 35 -13.362 -8.022 -0.042 1.00 0.00 C ATOM 584 CG LEU A 35 -13.637 -6.641 -0.646 1.00 0.00 C ATOM 585 CD1 LEU A 35 -14.051 -5.652 0.437 1.00 0.00 C ATOM 586 CD2 LEU A 35 -12.413 -6.134 -1.395 1.00 0.00 C ATOM 0 H LEU A 35 -14.385 -10.445 0.173 1.00 0.00 H new ATOM 0 HA LEU A 35 -14.131 -8.086 1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.380 -8.002 0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.311 -8.748 -0.853 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.460 -6.734 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.241 -4.678 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.957 -6.008 0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.251 -5.562 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.626 -5.152 -1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.571 -6.058 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.164 -6.828 -2.198 1.00 0.00 H new ATOM 598 N LEU A 36 -16.443 -7.329 1.501 1.00 0.00 N ATOM 599 CA LEU A 36 -17.804 -6.865 1.248 1.00 0.00 C ATOM 600 C LEU A 36 -17.863 -5.350 1.092 1.00 0.00 C ATOM 601 O LEU A 36 -17.065 -4.622 1.682 1.00 0.00 O ATOM 602 CB LEU A 36 -18.734 -7.303 2.383 1.00 0.00 C ATOM 603 CG LEU A 36 -18.394 -8.655 3.018 1.00 0.00 C ATOM 604 CD1 LEU A 36 -17.684 -8.457 4.348 1.00 0.00 C ATOM 605 CD2 LEU A 36 -19.653 -9.490 3.204 1.00 0.00 C ATOM 0 H LEU A 36 -16.053 -7.037 2.397 1.00 0.00 H new ATOM 0 HA LEU A 36 -18.134 -7.315 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -18.717 -6.539 3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -19.754 -7.345 2.000 1.00 0.00 H new ATOM 0 HG LEU A 36 -17.723 -9.190 2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.451 -9.428 4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -16.761 -7.900 4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -18.331 -7.901 5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -19.392 -10.447 3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -20.349 -8.959 3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -20.122 -9.663 2.235 1.00 0.00 H new ATOM 617 N TYR A 37 -18.826 -4.881 0.301 1.00 0.00 N ATOM 618 CA TYR A 37 -19.002 -3.453 0.076 1.00 0.00 C ATOM 619 C TYR A 37 -20.464 -3.125 -0.231 1.00 0.00 C ATOM 620 O TYR A 37 -21.091 -3.751 -1.092 1.00 0.00 O ATOM 621 CB TYR A 37 -18.067 -2.964 -1.044 1.00 0.00 C ATOM 622 CG TYR A 37 -18.731 -2.747 -2.391 1.00 0.00 C ATOM 623 CD1 TYR A 37 -19.378 -1.554 -2.687 1.00 0.00 C ATOM 624 CD2 TYR A 37 -18.696 -3.733 -3.368 1.00 0.00 C ATOM 625 CE1 TYR A 37 -19.974 -1.352 -3.917 1.00 0.00 C ATOM 626 CE2 TYR A 37 -19.287 -3.537 -4.602 1.00 0.00 C ATOM 627 CZ TYR A 37 -19.925 -2.347 -4.871 1.00 0.00 C ATOM 628 OH TYR A 37 -20.516 -2.148 -6.097 1.00 0.00 O ATOM 0 H TYR A 37 -19.495 -5.471 -0.194 1.00 0.00 H new ATOM 0 HA TYR A 37 -18.733 -2.924 0.990 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.607 -2.027 -0.728 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -17.262 -3.689 -1.166 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -19.416 -0.772 -1.944 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -18.199 -4.669 -3.160 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -20.476 -0.420 -4.130 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -19.249 -4.314 -5.352 1.00 0.00 H new ATOM 0 HH TYR A 37 -20.390 -2.945 -6.654 1.00 0.00 H new ATOM 638 N HIS A 38 -20.996 -2.144 0.491 1.00 0.00 N ATOM 639 CA HIS A 38 -22.379 -1.718 0.324 1.00 0.00 C ATOM 640 C HIS A 38 -22.442 -0.248 -0.089 1.00 0.00 C ATOM 641 O HIS A 38 -21.477 0.494 0.086 1.00 0.00 O ATOM 642 CB HIS A 38 -23.163 -1.919 1.625 1.00 0.00 C ATOM 643 CG HIS A 38 -22.857 -3.203 2.338 1.00 0.00 C ATOM 644 ND1 HIS A 38 -21.579 -3.588 2.693 1.00 0.00 N ATOM 645 CD2 HIS A 38 -23.675 -4.191 2.773 1.00 0.00 C ATOM 646 CE1 HIS A 38 -21.626 -4.756 3.309 1.00 0.00 C ATOM 647 NE2 HIS A 38 -22.886 -5.142 3.369 1.00 0.00 N ATOM 0 H HIS A 38 -20.483 -1.625 1.204 1.00 0.00 H new ATOM 0 HA HIS A 38 -22.828 -2.327 -0.461 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -22.952 -1.086 2.295 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -24.229 -1.886 1.402 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -24.750 -4.224 2.670 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -20.778 -5.301 3.697 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -23.220 -6.009 3.791 1.00 0.00 H new ATOM 656 N PRO A 39 -23.586 0.191 -0.643 1.00 0.00 N ATOM 657 CA PRO A 39 -23.772 1.579 -1.081 1.00 0.00 C ATOM 658 C PRO A 39 -23.337 2.597 -0.029 1.00 0.00 C ATOM 659 O PRO A 39 -22.685 3.590 -0.348 1.00 0.00 O ATOM 660 CB PRO A 39 -25.279 1.671 -1.322 1.00 0.00 C ATOM 661 CG PRO A 39 -25.687 0.284 -1.676 1.00 0.00 C ATOM 662 CD PRO A 39 -24.788 -0.630 -0.887 1.00 0.00 C ATOM 0 HA PRO A 39 -23.166 1.810 -1.957 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -25.802 2.024 -0.433 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -25.510 2.370 -2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -26.734 0.110 -1.428 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -25.580 0.107 -2.746 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -25.255 -0.944 0.046 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -24.549 -1.536 -1.444 1.00 0.00 H new ATOM 670 N SER A 40 -23.704 2.348 1.225 1.00 0.00 N ATOM 671 CA SER A 40 -23.348 3.252 2.317 1.00 0.00 C ATOM 672 C SER A 40 -23.444 2.549 3.668 1.00 0.00 C ATOM 673 O SER A 40 -23.555 1.325 3.738 1.00 0.00 O ATOM 674 CB SER A 40 -24.259 4.482 2.301 1.00 0.00 C ATOM 675 OG SER A 40 -24.837 4.673 1.021 1.00 0.00 O ATOM 0 H SER A 40 -24.245 1.532 1.511 1.00 0.00 H new ATOM 0 HA SER A 40 -22.315 3.568 2.171 1.00 0.00 H new ATOM 0 HB2 SER A 40 -25.047 4.364 3.045 1.00 0.00 H new ATOM 0 HB3 SER A 40 -23.686 5.366 2.580 1.00 0.00 H new ATOM 0 HG SER A 40 -25.415 5.464 1.038 1.00 0.00 H new ATOM 681 N ILE A 41 -23.399 3.334 4.743 1.00 0.00 N ATOM 682 CA ILE A 41 -23.479 2.787 6.094 1.00 0.00 C ATOM 683 C ILE A 41 -24.848 2.167 6.351 1.00 0.00 C ATOM 684 O ILE A 41 -24.946 1.045 6.850 1.00 0.00 O ATOM 685 CB ILE A 41 -23.187 3.871 7.156 1.00 0.00 C ATOM 686 CG1 ILE A 41 -21.724 4.306 7.069 1.00 0.00 C ATOM 687 CG2 ILE A 41 -23.505 3.359 8.556 1.00 0.00 C ATOM 688 CD1 ILE A 41 -21.442 5.274 5.940 1.00 0.00 C ATOM 0 H ILE A 41 -23.308 4.349 4.704 1.00 0.00 H new ATOM 0 HA ILE A 41 -22.719 2.010 6.175 1.00 0.00 H new ATOM 0 HB ILE A 41 -23.826 4.731 6.957 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -21.435 4.769 8.013 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -21.099 3.422 6.943 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -23.291 4.140 9.286 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -24.559 3.087 8.613 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -22.892 2.484 8.771 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -20.384 5.537 5.942 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -21.698 4.808 4.989 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -22.040 6.175 6.075 1.00 0.00 H new ATOM 700 N ASN A 42 -25.906 2.893 5.997 1.00 0.00 N ATOM 701 CA ASN A 42 -27.267 2.394 6.180 1.00 0.00 C ATOM 702 C ASN A 42 -27.410 1.004 5.559 1.00 0.00 C ATOM 703 O ASN A 42 -28.251 0.206 5.968 1.00 0.00 O ATOM 704 CB ASN A 42 -28.279 3.355 5.552 1.00 0.00 C ATOM 705 CG ASN A 42 -28.574 4.546 6.443 1.00 0.00 C ATOM 706 OD1 ASN A 42 -29.611 4.597 7.106 1.00 0.00 O ATOM 707 ND2 ASN A 42 -27.664 5.513 6.463 1.00 0.00 N ATOM 0 H ASN A 42 -25.848 3.824 5.584 1.00 0.00 H new ATOM 0 HA ASN A 42 -27.468 2.325 7.249 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -27.896 3.707 4.594 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -29.206 2.819 5.347 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -27.810 6.339 7.043 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -26.819 5.430 5.898 1.00 0.00 H new ATOM 714 N ASP A 43 -26.574 0.717 4.569 1.00 0.00 N ATOM 715 CA ASP A 43 -26.605 -0.575 3.902 1.00 0.00 C ATOM 716 C ASP A 43 -25.943 -1.643 4.770 1.00 0.00 C ATOM 717 O ASP A 43 -26.445 -2.759 4.886 1.00 0.00 O ATOM 718 CB ASP A 43 -25.903 -0.486 2.550 1.00 0.00 C ATOM 719 CG ASP A 43 -26.598 0.470 1.601 1.00 0.00 C ATOM 720 OD1 ASP A 43 -26.374 1.693 1.722 1.00 0.00 O ATOM 721 OD2 ASP A 43 -27.366 -0.002 0.738 1.00 0.00 O ATOM 0 H ASP A 43 -25.868 1.361 4.212 1.00 0.00 H new ATOM 0 HA ASP A 43 -27.646 -0.856 3.742 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -24.873 -0.162 2.699 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.863 -1.477 2.098 1.00 0.00 H new ATOM 726 N TYR A 44 -24.816 -1.289 5.382 1.00 0.00 N ATOM 727 CA TYR A 44 -24.091 -2.214 6.247 1.00 0.00 C ATOM 728 C TYR A 44 -24.889 -2.476 7.523 1.00 0.00 C ATOM 729 O TYR A 44 -25.120 -3.623 7.907 1.00 0.00 O ATOM 730 CB TYR A 44 -22.705 -1.642 6.582 1.00 0.00 C ATOM 731 CG TYR A 44 -22.247 -1.893 8.006 1.00 0.00 C ATOM 732 CD1 TYR A 44 -21.674 -3.105 8.367 1.00 0.00 C ATOM 733 CD2 TYR A 44 -22.394 -0.918 8.985 1.00 0.00 C ATOM 734 CE1 TYR A 44 -21.258 -3.338 9.664 1.00 0.00 C ATOM 735 CE2 TYR A 44 -21.980 -1.144 10.284 1.00 0.00 C ATOM 736 CZ TYR A 44 -21.412 -2.355 10.619 1.00 0.00 C ATOM 737 OH TYR A 44 -21.001 -2.585 11.911 1.00 0.00 O ATOM 0 H TYR A 44 -24.385 -0.368 5.295 1.00 0.00 H new ATOM 0 HA TYR A 44 -23.958 -3.161 5.724 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -21.974 -2.072 5.898 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -22.717 -0.567 6.402 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -21.551 -3.878 7.623 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -22.839 0.032 8.727 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -20.814 -4.286 9.929 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -22.101 -0.376 11.033 1.00 0.00 H new ATOM 0 HH TYR A 44 -21.180 -1.791 12.457 1.00 0.00 H new ATOM 747 N ILE A 45 -25.305 -1.393 8.166 1.00 0.00 N ATOM 748 CA ILE A 45 -26.080 -1.464 9.397 1.00 0.00 C ATOM 749 C ILE A 45 -27.371 -2.248 9.193 1.00 0.00 C ATOM 750 O ILE A 45 -27.606 -3.277 9.826 1.00 0.00 O ATOM 751 CB ILE A 45 -26.425 -0.035 9.889 1.00 0.00 C ATOM 752 CG1 ILE A 45 -25.232 0.574 10.623 1.00 0.00 C ATOM 753 CG2 ILE A 45 -27.669 -0.020 10.779 1.00 0.00 C ATOM 754 CD1 ILE A 45 -25.372 2.059 10.870 1.00 0.00 C ATOM 0 H ILE A 45 -25.115 -0.442 7.849 1.00 0.00 H new ATOM 0 HA ILE A 45 -25.474 -1.978 10.143 1.00 0.00 H new ATOM 0 HB ILE A 45 -26.649 0.570 9.011 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -25.104 0.065 11.578 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -24.327 0.394 10.042 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -27.874 1.001 11.101 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -28.522 -0.402 10.218 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -27.499 -0.649 11.653 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -24.490 2.425 11.395 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -25.469 2.579 9.917 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -26.258 2.245 11.477 1.00 0.00 H new ATOM 766 N HIS A 46 -28.208 -1.722 8.319 1.00 0.00 N ATOM 767 CA HIS A 46 -29.503 -2.309 8.014 1.00 0.00 C ATOM 768 C HIS A 46 -29.377 -3.575 7.168 1.00 0.00 C ATOM 769 O HIS A 46 -30.260 -4.434 7.192 1.00 0.00 O ATOM 770 CB HIS A 46 -30.369 -1.255 7.327 1.00 0.00 C ATOM 771 CG HIS A 46 -30.352 0.052 8.068 1.00 0.00 C ATOM 772 ND1 HIS A 46 -31.426 0.536 8.781 1.00 0.00 N ATOM 773 CD2 HIS A 46 -29.354 0.955 8.245 1.00 0.00 C ATOM 774 CE1 HIS A 46 -31.085 1.674 9.361 1.00 0.00 C ATOM 775 NE2 HIS A 46 -29.838 1.948 9.049 1.00 0.00 N ATOM 0 H HIS A 46 -28.009 -0.869 7.796 1.00 0.00 H new ATOM 0 HA HIS A 46 -29.979 -2.620 8.944 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -30.013 -1.100 6.309 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -31.394 -1.618 7.254 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -28.360 0.899 7.827 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -31.725 2.278 9.987 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -29.316 2.769 9.357 1.00 0.00 H new ATOM 784 N SER A 47 -28.277 -3.692 6.428 1.00 0.00 N ATOM 785 CA SER A 47 -28.033 -4.861 5.583 1.00 0.00 C ATOM 786 C SER A 47 -28.856 -4.797 4.301 1.00 0.00 C ATOM 787 O SER A 47 -29.840 -5.522 4.142 1.00 0.00 O ATOM 788 CB SER A 47 -28.345 -6.154 6.342 1.00 0.00 C ATOM 789 OG SER A 47 -27.679 -7.260 5.761 1.00 0.00 O ATOM 0 H SER A 47 -27.538 -2.990 6.396 1.00 0.00 H new ATOM 0 HA SER A 47 -26.977 -4.857 5.313 1.00 0.00 H new ATOM 0 HB2 SER A 47 -28.042 -6.050 7.384 1.00 0.00 H new ATOM 0 HB3 SER A 47 -29.421 -6.331 6.339 1.00 0.00 H new ATOM 0 HG SER A 47 -27.894 -8.073 6.265 1.00 0.00 H new ATOM 795 N THR A 48 -28.438 -3.932 3.387 1.00 0.00 N ATOM 796 CA THR A 48 -29.116 -3.772 2.106 1.00 0.00 C ATOM 797 C THR A 48 -28.104 -3.478 1.011 1.00 0.00 C ATOM 798 O THR A 48 -27.396 -2.474 1.061 1.00 0.00 O ATOM 799 CB THR A 48 -30.149 -2.648 2.183 1.00 0.00 C ATOM 800 OG1 THR A 48 -29.517 -1.401 2.414 1.00 0.00 O ATOM 801 CG2 THR A 48 -31.173 -2.852 3.275 1.00 0.00 C ATOM 0 H THR A 48 -27.627 -3.326 3.510 1.00 0.00 H new ATOM 0 HA THR A 48 -29.633 -4.702 1.869 1.00 0.00 H new ATOM 0 HB THR A 48 -30.661 -2.659 1.221 1.00 0.00 H new ATOM 0 HG1 THR A 48 -28.651 -1.383 1.955 1.00 0.00 H new ATOM 0 HG21 THR A 48 -31.876 -2.019 3.275 1.00 0.00 H new ATOM 0 HG22 THR A 48 -31.713 -3.782 3.098 1.00 0.00 H new ATOM 0 HG23 THR A 48 -30.670 -2.902 4.241 1.00 0.00 H new ATOM 809 N HIS A 49 -28.023 -4.367 0.031 1.00 0.00 N ATOM 810 CA HIS A 49 -27.074 -4.205 -1.062 1.00 0.00 C ATOM 811 C HIS A 49 -25.648 -4.268 -0.523 1.00 0.00 C ATOM 812 O HIS A 49 -25.060 -3.248 -0.166 1.00 0.00 O ATOM 813 CB HIS A 49 -27.305 -2.879 -1.789 1.00 0.00 C ATOM 814 CG HIS A 49 -28.670 -2.756 -2.393 1.00 0.00 C ATOM 815 ND1 HIS A 49 -29.803 -2.508 -1.646 1.00 0.00 N ATOM 816 CD2 HIS A 49 -29.083 -2.846 -3.679 1.00 0.00 C ATOM 817 CE1 HIS A 49 -30.854 -2.454 -2.447 1.00 0.00 C ATOM 818 NE2 HIS A 49 -30.442 -2.655 -3.686 1.00 0.00 N ATOM 0 H HIS A 49 -28.601 -5.205 -0.030 1.00 0.00 H new ATOM 0 HA HIS A 49 -27.224 -5.016 -1.775 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -27.152 -2.058 -1.088 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -26.558 -2.770 -2.575 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -28.459 -3.033 -4.540 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -31.874 -2.276 -2.141 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -31.038 -2.666 -4.514 1.00 0.00 H new ATOM 827 N GLY A 50 -25.105 -5.478 -0.459 1.00 0.00 N ATOM 828 CA GLY A 50 -23.762 -5.671 0.044 1.00 0.00 C ATOM 829 C GLY A 50 -23.017 -6.732 -0.730 1.00 0.00 C ATOM 830 O GLY A 50 -23.052 -7.912 -0.380 1.00 0.00 O ATOM 0 H GLY A 50 -25.577 -6.334 -0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -23.215 -4.730 -0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -23.806 -5.953 1.096 1.00 0.00 H new ATOM 834 N LYS A 51 -22.348 -6.310 -1.791 1.00 0.00 N ATOM 835 CA LYS A 51 -21.593 -7.228 -2.634 1.00 0.00 C ATOM 836 C LYS A 51 -20.381 -7.781 -1.891 1.00 0.00 C ATOM 837 O LYS A 51 -19.744 -7.075 -1.112 1.00 0.00 O ATOM 838 CB LYS A 51 -21.146 -6.522 -3.918 1.00 0.00 C ATOM 839 CG LYS A 51 -21.564 -7.247 -5.187 1.00 0.00 C ATOM 840 CD LYS A 51 -21.952 -6.269 -6.286 1.00 0.00 C ATOM 841 CE LYS A 51 -23.240 -6.690 -6.977 1.00 0.00 C ATOM 842 NZ LYS A 51 -23.037 -7.872 -7.859 1.00 0.00 N ATOM 0 H LYS A 51 -22.311 -5.336 -2.091 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.244 -8.062 -2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.561 -5.514 -3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.061 -6.420 -3.908 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.746 -7.879 -5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -22.405 -7.905 -4.971 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.075 -5.273 -5.861 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.148 -6.206 -7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -23.995 -6.923 -6.226 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.624 -5.858 -7.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.938 -8.127 -8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -22.335 -7.642 -8.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -22.695 -8.674 -7.292 1.00 0.00 H new ATOM 856 N GLU A 52 -20.075 -9.052 -2.138 1.00 0.00 N ATOM 857 CA GLU A 52 -18.943 -9.715 -1.497 1.00 0.00 C ATOM 858 C GLU A 52 -18.187 -10.577 -2.499 1.00 0.00 C ATOM 859 O GLU A 52 -18.767 -11.086 -3.459 1.00 0.00 O ATOM 860 CB GLU A 52 -19.423 -10.574 -0.327 1.00 0.00 C ATOM 861 CG GLU A 52 -20.509 -11.567 -0.707 1.00 0.00 C ATOM 862 CD GLU A 52 -21.214 -12.151 0.501 1.00 0.00 C ATOM 863 OE1 GLU A 52 -22.107 -11.473 1.053 1.00 0.00 O ATOM 864 OE2 GLU A 52 -20.873 -13.286 0.895 1.00 0.00 O ATOM 0 H GLU A 52 -20.598 -9.646 -2.781 1.00 0.00 H new ATOM 0 HA GLU A 52 -18.268 -8.947 -1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -18.573 -11.118 0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -19.798 -9.922 0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -21.241 -11.073 -1.346 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -20.069 -12.375 -1.292 1.00 0.00 H new ATOM 871 N MET A 53 -16.889 -10.735 -2.273 1.00 0.00 N ATOM 872 CA MET A 53 -16.053 -11.530 -3.160 1.00 0.00 C ATOM 873 C MET A 53 -15.120 -12.439 -2.370 1.00 0.00 C ATOM 874 O MET A 53 -14.718 -12.114 -1.251 1.00 0.00 O ATOM 875 CB MET A 53 -15.228 -10.622 -4.061 1.00 0.00 C ATOM 876 CG MET A 53 -14.496 -9.526 -3.306 1.00 0.00 C ATOM 877 SD MET A 53 -13.570 -8.448 -4.404 1.00 0.00 S ATOM 878 CE MET A 53 -14.831 -8.099 -5.619 1.00 0.00 C ATOM 0 H MET A 53 -16.393 -10.323 -1.483 1.00 0.00 H new ATOM 0 HA MET A 53 -16.711 -12.150 -3.769 1.00 0.00 H new ATOM 0 HB2 MET A 53 -14.502 -11.226 -4.605 1.00 0.00 H new ATOM 0 HB3 MET A 53 -15.883 -10.166 -4.803 1.00 0.00 H new ATOM 0 HG2 MET A 53 -15.215 -8.934 -2.740 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.816 -9.977 -2.583 1.00 0.00 H new ATOM 0 HE1 MET A 53 -14.645 -7.123 -6.067 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.810 -8.864 -6.395 1.00 0.00 H new ATOM 0 HE3 MET A 53 -15.809 -8.097 -5.138 1.00 0.00 H new ATOM 888 N ASP A 54 -14.763 -13.570 -2.969 1.00 0.00 N ATOM 889 CA ASP A 54 -13.859 -14.517 -2.333 1.00 0.00 C ATOM 890 C ASP A 54 -12.425 -14.011 -2.426 1.00 0.00 C ATOM 891 O ASP A 54 -11.960 -13.634 -3.502 1.00 0.00 O ATOM 892 CB ASP A 54 -13.975 -15.892 -2.992 1.00 0.00 C ATOM 893 CG ASP A 54 -13.852 -17.026 -1.992 1.00 0.00 C ATOM 894 OD1 ASP A 54 -14.581 -17.005 -0.978 1.00 0.00 O ATOM 895 OD2 ASP A 54 -13.027 -17.934 -2.222 1.00 0.00 O ATOM 0 H ASP A 54 -15.087 -13.852 -3.894 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.135 -14.611 -1.283 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.934 -15.966 -3.505 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.199 -15.995 -3.751 1.00 0.00 H new ATOM 900 N LEU A 55 -11.730 -13.990 -1.294 1.00 0.00 N ATOM 901 CA LEU A 55 -10.354 -13.512 -1.258 1.00 0.00 C ATOM 902 C LEU A 55 -9.358 -14.651 -1.471 1.00 0.00 C ATOM 903 O LEU A 55 -8.212 -14.570 -1.035 1.00 0.00 O ATOM 904 CB LEU A 55 -10.072 -12.818 0.075 1.00 0.00 C ATOM 905 CG LEU A 55 -10.358 -11.315 0.100 1.00 0.00 C ATOM 906 CD1 LEU A 55 -10.487 -10.821 1.533 1.00 0.00 C ATOM 907 CD2 LEU A 55 -9.262 -10.555 -0.630 1.00 0.00 C ATOM 0 H LEU A 55 -12.096 -14.297 -0.393 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.230 -12.799 -2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.669 -13.298 0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.025 -12.977 0.335 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.303 -11.134 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.690 -9.750 1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.306 -11.345 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.558 -11.013 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.480 -9.487 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.304 -10.742 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.215 -10.890 -1.666 1.00 0.00 H new ATOM 919 N LEU A 56 -9.796 -15.710 -2.149 1.00 0.00 N ATOM 920 CA LEU A 56 -8.929 -16.852 -2.418 1.00 0.00 C ATOM 921 C LEU A 56 -8.061 -16.591 -3.643 1.00 0.00 C ATOM 922 O LEU A 56 -6.847 -16.794 -3.614 1.00 0.00 O ATOM 923 CB LEU A 56 -9.764 -18.116 -2.626 1.00 0.00 C ATOM 924 CG LEU A 56 -9.069 -19.423 -2.239 1.00 0.00 C ATOM 925 CD1 LEU A 56 -10.074 -20.416 -1.674 1.00 0.00 C ATOM 926 CD2 LEU A 56 -8.349 -20.019 -3.440 1.00 0.00 C ATOM 0 H LEU A 56 -10.742 -15.800 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.278 -16.997 -1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.683 -18.025 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.053 -18.173 -3.675 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.331 -19.204 -1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.561 -21.339 -1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.546 -19.991 -0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.835 -20.630 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.860 -20.948 -3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.070 -20.222 -4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.601 -19.314 -3.802 1.00 0.00 H new ATOM 938 N ARG A 57 -8.692 -16.132 -4.719 1.00 0.00 N ATOM 939 CA ARG A 57 -7.983 -15.833 -5.956 1.00 0.00 C ATOM 940 C ARG A 57 -8.230 -14.388 -6.375 1.00 0.00 C ATOM 941 O ARG A 57 -8.688 -14.118 -7.487 1.00 0.00 O ATOM 942 CB ARG A 57 -8.425 -16.788 -7.068 1.00 0.00 C ATOM 943 CG ARG A 57 -7.581 -18.049 -7.155 1.00 0.00 C ATOM 944 CD ARG A 57 -6.170 -17.743 -7.629 1.00 0.00 C ATOM 945 NE ARG A 57 -5.359 -18.953 -7.754 1.00 0.00 N ATOM 946 CZ ARG A 57 -4.136 -18.974 -8.276 1.00 0.00 C ATOM 947 NH1 ARG A 57 -3.577 -17.856 -8.723 1.00 0.00 N ATOM 948 NH2 ARG A 57 -3.468 -20.118 -8.352 1.00 0.00 N ATOM 0 H ARG A 57 -9.696 -15.959 -4.758 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.915 -15.968 -5.783 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.466 -17.067 -6.904 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.382 -16.265 -8.023 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.541 -18.530 -6.178 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.051 -18.756 -7.839 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.214 -17.235 -8.592 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.693 -17.058 -6.928 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.754 -19.832 -7.421 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.086 -16.974 -8.667 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.639 -17.879 -9.122 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.893 -20.980 -8.010 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.530 -20.135 -8.752 1.00 0.00 H new ATOM 962 N THR A 58 -7.929 -13.460 -5.473 1.00 0.00 N ATOM 963 CA THR A 58 -8.122 -12.039 -5.739 1.00 0.00 C ATOM 964 C THR A 58 -6.797 -11.363 -6.074 1.00 0.00 C ATOM 965 O THR A 58 -5.725 -11.891 -5.779 1.00 0.00 O ATOM 966 CB THR A 58 -8.763 -11.355 -4.530 1.00 0.00 C ATOM 967 OG1 THR A 58 -8.515 -12.091 -3.346 1.00 0.00 O ATOM 968 CG2 THR A 58 -10.261 -11.189 -4.657 1.00 0.00 C ATOM 0 H THR A 58 -7.550 -13.667 -4.549 1.00 0.00 H new ATOM 0 HA THR A 58 -8.786 -11.943 -6.598 1.00 0.00 H new ATOM 0 HB THR A 58 -8.306 -10.366 -4.486 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.921 -12.980 -3.422 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.649 -10.697 -3.765 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.487 -10.582 -5.534 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.728 -12.168 -4.764 1.00 0.00 H new ATOM 976 N THR A 59 -6.881 -10.188 -6.686 1.00 0.00 N ATOM 977 CA THR A 59 -5.693 -9.431 -7.058 1.00 0.00 C ATOM 978 C THR A 59 -5.848 -7.965 -6.673 1.00 0.00 C ATOM 979 O THR A 59 -6.940 -7.515 -6.323 1.00 0.00 O ATOM 980 CB THR A 59 -5.430 -9.553 -8.560 1.00 0.00 C ATOM 981 OG1 THR A 59 -6.159 -10.633 -9.113 1.00 0.00 O ATOM 982 CG2 THR A 59 -3.968 -9.767 -8.894 1.00 0.00 C ATOM 0 H THR A 59 -7.762 -9.738 -6.936 1.00 0.00 H new ATOM 0 HA THR A 59 -4.842 -9.845 -6.517 1.00 0.00 H new ATOM 0 HB THR A 59 -5.751 -8.603 -8.987 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.978 -10.692 -10.074 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.849 -9.845 -9.975 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.383 -8.924 -8.525 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.618 -10.686 -8.423 1.00 0.00 H new ATOM 990 N VAL A 60 -4.751 -7.221 -6.744 1.00 0.00 N ATOM 991 CA VAL A 60 -4.766 -5.803 -6.406 1.00 0.00 C ATOM 992 C VAL A 60 -4.265 -4.961 -7.571 1.00 0.00 C ATOM 993 O VAL A 60 -3.128 -5.115 -8.019 1.00 0.00 O ATOM 994 CB VAL A 60 -3.901 -5.513 -5.165 1.00 0.00 C ATOM 995 CG1 VAL A 60 -4.096 -4.077 -4.703 1.00 0.00 C ATOM 996 CG2 VAL A 60 -4.227 -6.489 -4.045 1.00 0.00 C ATOM 0 H VAL A 60 -3.839 -7.576 -7.033 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.800 -5.538 -6.186 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.854 -5.645 -5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.477 -3.890 -3.825 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.807 -3.395 -5.503 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.144 -3.915 -4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.606 -6.268 -3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.278 -6.393 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.031 -7.507 -4.381 1.00 0.00 H new ATOM 1407 N PHE A 90 -5.003 8.476 -2.920 1.00 0.00 N ATOM 1408 CA PHE A 90 -4.746 7.054 -2.724 1.00 0.00 C ATOM 1409 C PHE A 90 -5.943 6.215 -3.166 1.00 0.00 C ATOM 1410 O PHE A 90 -7.042 6.350 -2.627 1.00 0.00 O ATOM 1411 CB PHE A 90 -4.419 6.776 -1.256 1.00 0.00 C ATOM 1412 CG PHE A 90 -3.132 7.405 -0.805 1.00 0.00 C ATOM 1413 CD1 PHE A 90 -3.018 8.784 -0.702 1.00 0.00 C ATOM 1414 CD2 PHE A 90 -2.035 6.621 -0.485 1.00 0.00 C ATOM 1415 CE1 PHE A 90 -1.835 9.366 -0.289 1.00 0.00 C ATOM 1416 CE2 PHE A 90 -0.850 7.197 -0.072 1.00 0.00 C ATOM 1417 CZ PHE A 90 -0.749 8.572 0.027 1.00 0.00 C ATOM 0 HA PHE A 90 -3.890 6.774 -3.339 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.234 7.145 -0.633 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.363 5.699 -1.101 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.864 9.409 -0.947 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.108 5.546 -0.560 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -1.759 10.441 -0.213 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.003 6.574 0.173 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.177 9.025 0.351 1.00 0.00 H new ATOM 1427 N GLU A 91 -5.723 5.355 -4.157 1.00 0.00 N ATOM 1428 CA GLU A 91 -6.783 4.497 -4.681 1.00 0.00 C ATOM 1429 C GLU A 91 -6.251 3.099 -4.990 1.00 0.00 C ATOM 1430 O GLU A 91 -5.176 2.949 -5.570 1.00 0.00 O ATOM 1431 CB GLU A 91 -7.395 5.116 -5.944 1.00 0.00 C ATOM 1432 CG GLU A 91 -7.343 6.635 -5.978 1.00 0.00 C ATOM 1433 CD GLU A 91 -6.055 7.161 -6.581 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -4.992 6.554 -6.334 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -6.110 8.181 -7.301 1.00 0.00 O ATOM 0 H GLU A 91 -4.819 5.233 -4.614 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.556 4.410 -3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.872 4.726 -6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.434 4.797 -6.025 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.189 7.011 -6.553 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.450 7.021 -4.964 1.00 0.00 H new ATOM 1442 N PHE A 92 -7.014 2.078 -4.604 1.00 0.00 N ATOM 1443 CA PHE A 92 -6.617 0.692 -4.846 1.00 0.00 C ATOM 1444 C PHE A 92 -7.781 -0.111 -5.428 1.00 0.00 C ATOM 1445 O PHE A 92 -8.942 0.145 -5.114 1.00 0.00 O ATOM 1446 CB PHE A 92 -6.110 0.044 -3.551 1.00 0.00 C ATOM 1447 CG PHE A 92 -7.175 -0.172 -2.513 1.00 0.00 C ATOM 1448 CD1 PHE A 92 -7.832 0.905 -1.939 1.00 0.00 C ATOM 1449 CD2 PHE A 92 -7.520 -1.453 -2.113 1.00 0.00 C ATOM 1450 CE1 PHE A 92 -8.814 0.707 -0.984 1.00 0.00 C ATOM 1451 CE2 PHE A 92 -8.501 -1.657 -1.160 1.00 0.00 C ATOM 1452 CZ PHE A 92 -9.150 -0.576 -0.596 1.00 0.00 C ATOM 0 H PHE A 92 -7.908 2.184 -4.124 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.805 0.691 -5.573 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.654 -0.916 -3.793 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.326 0.672 -3.126 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.575 1.910 -2.240 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.017 -2.302 -2.551 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -9.317 1.554 -0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.760 -2.661 -0.857 1.00 0.00 H new ATOM 0 HZ PHE A 92 -9.918 -0.733 0.147 1.00 0.00 H new ATOM 1462 N LEU A 93 -7.458 -1.073 -6.290 1.00 0.00 N ATOM 1463 CA LEU A 93 -8.476 -1.903 -6.931 1.00 0.00 C ATOM 1464 C LEU A 93 -8.482 -3.322 -6.368 1.00 0.00 C ATOM 1465 O LEU A 93 -7.445 -3.846 -5.960 1.00 0.00 O ATOM 1466 CB LEU A 93 -8.237 -1.951 -8.440 1.00 0.00 C ATOM 1467 CG LEU A 93 -8.642 -0.686 -9.204 1.00 0.00 C ATOM 1468 CD1 LEU A 93 -7.463 -0.136 -9.993 1.00 0.00 C ATOM 1469 CD2 LEU A 93 -9.814 -0.975 -10.131 1.00 0.00 C ATOM 0 H LEU A 93 -6.500 -1.297 -6.561 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.447 -1.453 -6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.179 -2.141 -8.618 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.787 -2.797 -8.852 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.952 0.067 -8.480 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.771 0.762 -10.529 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.651 0.110 -9.309 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.122 -0.885 -10.707 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.088 -0.065 -10.665 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.530 -1.745 -10.848 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.665 -1.322 -9.545 1.00 0.00 H new ATOM 1481 N ILE A 94 -9.663 -3.941 -6.357 1.00 0.00 N ATOM 1482 CA ILE A 94 -9.822 -5.301 -5.852 1.00 0.00 C ATOM 1483 C ILE A 94 -10.426 -6.208 -6.920 1.00 0.00 C ATOM 1484 O ILE A 94 -11.595 -6.069 -7.270 1.00 0.00 O ATOM 1485 CB ILE A 94 -10.732 -5.331 -4.606 1.00 0.00 C ATOM 1486 CG1 ILE A 94 -10.398 -4.170 -3.666 1.00 0.00 C ATOM 1487 CG2 ILE A 94 -10.603 -6.661 -3.884 1.00 0.00 C ATOM 1488 CD1 ILE A 94 -9.021 -4.267 -3.047 1.00 0.00 C ATOM 0 H ILE A 94 -10.527 -3.517 -6.695 1.00 0.00 H new ATOM 0 HA ILE A 94 -8.829 -5.661 -5.582 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.766 -5.218 -4.933 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.473 -3.233 -4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.143 -4.132 -2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -11.252 -6.664 -3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -10.895 -7.469 -4.555 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -9.569 -6.806 -3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.855 -3.411 -2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -8.947 -5.186 -2.466 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.268 -4.274 -3.835 1.00 0.00 H new ATOM 1500 N VAL A 95 -9.628 -7.136 -7.441 1.00 0.00 N ATOM 1501 CA VAL A 95 -10.106 -8.052 -8.474 1.00 0.00 C ATOM 1502 C VAL A 95 -10.481 -9.409 -7.891 1.00 0.00 C ATOM 1503 O VAL A 95 -9.739 -9.984 -7.095 1.00 0.00 O ATOM 1504 CB VAL A 95 -9.052 -8.258 -9.582 1.00 0.00 C ATOM 1505 CG1 VAL A 95 -9.587 -9.179 -10.674 1.00 0.00 C ATOM 1506 CG2 VAL A 95 -8.624 -6.921 -10.166 1.00 0.00 C ATOM 0 H VAL A 95 -8.655 -7.274 -7.168 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.994 -7.591 -8.906 1.00 0.00 H new ATOM 0 HB VAL A 95 -8.177 -8.734 -9.138 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.827 -9.310 -11.444 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.837 -10.148 -10.242 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -10.480 -8.738 -11.117 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.880 -7.086 -10.946 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.491 -6.416 -10.592 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.193 -6.301 -9.379 1.00 0.00 H new ATOM 1516 N SER A 96 -11.635 -9.921 -8.308 1.00 0.00 N ATOM 1517 CA SER A 96 -12.114 -11.215 -7.845 1.00 0.00 C ATOM 1518 C SER A 96 -11.735 -12.310 -8.834 1.00 0.00 C ATOM 1519 O SER A 96 -11.014 -12.063 -9.801 1.00 0.00 O ATOM 1520 CB SER A 96 -13.632 -11.185 -7.654 1.00 0.00 C ATOM 1521 OG SER A 96 -14.118 -12.442 -7.216 1.00 0.00 O ATOM 0 H SER A 96 -12.257 -9.455 -8.969 1.00 0.00 H new ATOM 0 HA SER A 96 -11.643 -11.431 -6.886 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.895 -10.417 -6.926 1.00 0.00 H new ATOM 0 HB3 SER A 96 -14.114 -10.913 -8.593 1.00 0.00 H new ATOM 0 HG SER A 96 -15.090 -12.395 -7.100 1.00 0.00 H new ATOM 1527 N SER A 97 -12.219 -13.521 -8.588 1.00 0.00 N ATOM 1528 CA SER A 97 -11.923 -14.650 -9.461 1.00 0.00 C ATOM 1529 C SER A 97 -12.834 -14.658 -10.686 1.00 0.00 C ATOM 1530 O SER A 97 -12.531 -15.308 -11.686 1.00 0.00 O ATOM 1531 CB SER A 97 -12.067 -15.966 -8.693 1.00 0.00 C ATOM 1532 OG SER A 97 -11.059 -16.888 -9.069 1.00 0.00 O ATOM 0 H SER A 97 -12.817 -13.746 -7.793 1.00 0.00 H new ATOM 0 HA SER A 97 -10.894 -14.546 -9.804 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.007 -15.774 -7.622 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.049 -16.398 -8.885 1.00 0.00 H new ATOM 0 HG SER A 97 -11.172 -17.720 -8.564 1.00 0.00 H new ATOM 1538 N THR A 98 -13.948 -13.938 -10.606 1.00 0.00 N ATOM 1539 CA THR A 98 -14.889 -13.876 -11.717 1.00 0.00 C ATOM 1540 C THR A 98 -14.700 -12.601 -12.529 1.00 0.00 C ATOM 1541 O THR A 98 -15.622 -12.137 -13.202 1.00 0.00 O ATOM 1542 CB THR A 98 -16.327 -13.966 -11.207 1.00 0.00 C ATOM 1543 OG1 THR A 98 -17.248 -13.812 -12.272 1.00 0.00 O ATOM 1544 CG2 THR A 98 -16.657 -12.924 -10.160 1.00 0.00 C ATOM 0 H THR A 98 -14.220 -13.392 -9.788 1.00 0.00 H new ATOM 0 HA THR A 98 -14.691 -14.727 -12.369 1.00 0.00 H new ATOM 0 HB THR A 98 -16.411 -14.953 -10.753 1.00 0.00 H new ATOM 0 HG1 THR A 98 -16.803 -13.375 -13.028 1.00 0.00 H new ATOM 0 HG21 THR A 98 -17.692 -13.044 -9.841 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.996 -13.048 -9.302 1.00 0.00 H new ATOM 0 HG23 THR A 98 -16.520 -11.928 -10.582 1.00 0.00 H new ATOM 1552 N GLY A 99 -13.498 -12.042 -12.469 1.00 0.00 N ATOM 1553 CA GLY A 99 -13.203 -10.829 -13.212 1.00 0.00 C ATOM 1554 C GLY A 99 -13.723 -9.568 -12.539 1.00 0.00 C ATOM 1555 O GLY A 99 -13.367 -8.461 -12.939 1.00 0.00 O ATOM 0 H GLY A 99 -12.720 -12.406 -11.919 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.124 -10.744 -13.342 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.639 -10.907 -14.208 1.00 0.00 H new ATOM 1559 N GLN A 100 -14.561 -9.728 -11.516 1.00 0.00 N ATOM 1560 CA GLN A 100 -15.115 -8.583 -10.801 1.00 0.00 C ATOM 1561 C GLN A 100 -13.999 -7.705 -10.243 1.00 0.00 C ATOM 1562 O GLN A 100 -13.040 -8.208 -9.659 1.00 0.00 O ATOM 1563 CB GLN A 100 -16.024 -9.058 -9.666 1.00 0.00 C ATOM 1564 CG GLN A 100 -16.904 -7.961 -9.089 1.00 0.00 C ATOM 1565 CD GLN A 100 -18.295 -7.953 -9.693 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -18.459 -7.791 -10.901 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -19.306 -8.126 -8.850 1.00 0.00 N ATOM 0 H GLN A 100 -14.869 -10.635 -11.166 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.703 -7.992 -11.503 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.658 -9.865 -10.034 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.408 -9.475 -8.869 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -16.981 -8.092 -8.010 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.432 -6.994 -9.260 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -19.124 -8.257 -7.855 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -20.265 -8.128 -9.197 1.00 0.00 H new ATOM 1576 N THR A 101 -14.122 -6.395 -10.433 1.00 0.00 N ATOM 1577 CA THR A 101 -13.108 -5.467 -9.949 1.00 0.00 C ATOM 1578 C THR A 101 -13.731 -4.284 -9.211 1.00 0.00 C ATOM 1579 O THR A 101 -14.427 -3.463 -9.805 1.00 0.00 O ATOM 1580 CB THR A 101 -12.260 -4.958 -11.115 1.00 0.00 C ATOM 1581 OG1 THR A 101 -12.001 -5.999 -12.039 1.00 0.00 O ATOM 1582 CG2 THR A 101 -10.928 -4.384 -10.684 1.00 0.00 C ATOM 0 H THR A 101 -14.907 -5.956 -10.914 1.00 0.00 H new ATOM 0 HA THR A 101 -12.476 -6.009 -9.245 1.00 0.00 H new ATOM 0 HB THR A 101 -12.848 -4.162 -11.571 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.459 -5.653 -12.778 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.378 -4.042 -11.561 1.00 0.00 H new ATOM 0 HG22 THR A 101 -11.095 -3.544 -10.010 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.350 -5.152 -10.170 1.00 0.00 H new ATOM 1590 N TRP A 102 -13.455 -4.200 -7.912 1.00 0.00 N ATOM 1591 CA TRP A 102 -13.963 -3.115 -7.084 1.00 0.00 C ATOM 1592 C TRP A 102 -12.911 -2.035 -6.902 1.00 0.00 C ATOM 1593 O TRP A 102 -11.962 -2.213 -6.140 1.00 0.00 O ATOM 1594 CB TRP A 102 -14.355 -3.628 -5.708 1.00 0.00 C ATOM 1595 CG TRP A 102 -15.437 -4.653 -5.720 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -16.120 -5.134 -6.797 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -15.955 -5.326 -4.579 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -17.032 -6.076 -6.388 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -16.951 -6.209 -5.025 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -15.663 -5.264 -3.221 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -17.659 -7.028 -4.150 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -16.368 -6.077 -2.358 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -17.348 -6.944 -2.824 1.00 0.00 C ATOM 0 H TRP A 102 -12.879 -4.876 -7.410 1.00 0.00 H new ATOM 0 HA TRP A 102 -14.835 -2.702 -7.592 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -13.474 -4.053 -5.227 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -14.676 -2.785 -5.097 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -15.967 -4.821 -7.819 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -17.666 -6.592 -6.998 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -14.901 -4.594 -2.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -18.423 -7.703 -4.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -16.154 -6.039 -1.300 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -17.877 -7.568 -2.119 1.00 0.00 H new ATOM 1614 N HIS A 103 -13.080 -0.909 -7.579 1.00 0.00 N ATOM 1615 CA HIS A 103 -12.130 0.180 -7.438 1.00 0.00 C ATOM 1616 C HIS A 103 -12.575 1.119 -6.323 1.00 0.00 C ATOM 1617 O HIS A 103 -13.629 1.746 -6.414 1.00 0.00 O ATOM 1618 CB HIS A 103 -11.976 0.951 -8.750 1.00 0.00 C ATOM 1619 CG HIS A 103 -10.773 1.836 -8.751 1.00 0.00 C ATOM 1620 ND1 HIS A 103 -10.025 2.059 -7.617 1.00 0.00 N ATOM 1621 CD2 HIS A 103 -10.187 2.559 -9.737 1.00 0.00 C ATOM 1622 CE1 HIS A 103 -9.039 2.880 -7.894 1.00 0.00 C ATOM 1623 NE2 HIS A 103 -9.105 3.197 -9.177 1.00 0.00 N ATOM 0 H HIS A 103 -13.852 -0.728 -8.220 1.00 0.00 H new ATOM 0 HA HIS A 103 -11.159 -0.245 -7.182 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.905 0.245 -9.577 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -12.868 1.554 -8.921 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.509 2.622 -10.766 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.299 3.237 -7.193 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.459 3.814 -9.670 1.00 0.00 H new ATOM 1632 N PHE A 104 -11.774 1.206 -5.266 1.00 0.00 N ATOM 1633 CA PHE A 104 -12.111 2.063 -4.137 1.00 0.00 C ATOM 1634 C PHE A 104 -11.060 3.142 -3.907 1.00 0.00 C ATOM 1635 O PHE A 104 -9.921 3.031 -4.360 1.00 0.00 O ATOM 1636 CB PHE A 104 -12.259 1.236 -2.857 1.00 0.00 C ATOM 1637 CG PHE A 104 -13.311 0.163 -2.921 1.00 0.00 C ATOM 1638 CD1 PHE A 104 -14.583 0.446 -3.393 1.00 0.00 C ATOM 1639 CD2 PHE A 104 -13.029 -1.126 -2.497 1.00 0.00 C ATOM 1640 CE1 PHE A 104 -15.552 -0.538 -3.441 1.00 0.00 C ATOM 1641 CE2 PHE A 104 -13.995 -2.112 -2.540 1.00 0.00 C ATOM 1642 CZ PHE A 104 -15.259 -1.817 -3.012 1.00 0.00 C ATOM 0 H PHE A 104 -10.895 0.698 -5.168 1.00 0.00 H new ATOM 0 HA PHE A 104 -13.058 2.546 -4.380 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -11.300 0.772 -2.627 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -12.494 1.908 -2.032 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -14.819 1.446 -3.727 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.042 -1.362 -2.128 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -16.539 -0.306 -3.814 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -13.762 -3.112 -2.205 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.017 -2.586 -3.045 1.00 0.00 H new ATOM 1652 N GLU A 105 -11.460 4.173 -3.172 1.00 0.00 N ATOM 1653 CA GLU A 105 -10.572 5.278 -2.836 1.00 0.00 C ATOM 1654 C GLU A 105 -10.563 5.490 -1.327 1.00 0.00 C ATOM 1655 O GLU A 105 -11.504 6.054 -0.764 1.00 0.00 O ATOM 1656 CB GLU A 105 -11.009 6.560 -3.546 1.00 0.00 C ATOM 1657 CG GLU A 105 -9.853 7.350 -4.138 1.00 0.00 C ATOM 1658 CD GLU A 105 -9.996 8.844 -3.920 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -9.967 9.278 -2.749 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -10.136 9.578 -4.920 1.00 0.00 O ATOM 0 H GLU A 105 -12.403 4.266 -2.795 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.565 5.030 -3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -11.709 6.305 -4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.546 7.192 -2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.919 7.009 -3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.789 7.147 -5.207 1.00 0.00 H new ATOM 1667 N ALA A 106 -9.503 5.021 -0.677 1.00 0.00 N ATOM 1668 CA ALA A 106 -9.374 5.143 0.769 1.00 0.00 C ATOM 1669 C ALA A 106 -9.466 6.597 1.220 1.00 0.00 C ATOM 1670 O ALA A 106 -8.745 7.461 0.719 1.00 0.00 O ATOM 1671 CB ALA A 106 -8.058 4.530 1.226 1.00 0.00 C ATOM 0 H ALA A 106 -8.719 4.552 -1.131 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.202 4.603 1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -7.969 4.625 2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.033 3.476 0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.229 5.050 0.747 1.00 0.00 H new ATOM 1677 N ALA A 107 -10.354 6.858 2.175 1.00 0.00 N ATOM 1678 CA ALA A 107 -10.536 8.206 2.700 1.00 0.00 C ATOM 1679 C ALA A 107 -9.283 8.669 3.434 1.00 0.00 C ATOM 1680 O ALA A 107 -8.945 9.852 3.427 1.00 0.00 O ATOM 1681 CB ALA A 107 -11.743 8.254 3.623 1.00 0.00 C ATOM 0 H ALA A 107 -10.958 6.154 2.600 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.712 8.882 1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -11.867 9.266 4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.636 7.964 3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -11.593 7.566 4.455 1.00 0.00 H new ATOM 1687 N SER A 108 -8.593 7.720 4.063 1.00 0.00 N ATOM 1688 CA SER A 108 -7.373 8.018 4.798 1.00 0.00 C ATOM 1689 C SER A 108 -6.172 7.350 4.134 1.00 0.00 C ATOM 1690 O SER A 108 -6.293 6.271 3.553 1.00 0.00 O ATOM 1691 CB SER A 108 -7.497 7.552 6.250 1.00 0.00 C ATOM 1692 OG SER A 108 -8.826 7.694 6.719 1.00 0.00 O ATOM 0 H SER A 108 -8.862 6.736 4.076 1.00 0.00 H new ATOM 0 HA SER A 108 -7.222 9.097 4.788 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.190 6.509 6.328 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.822 8.131 6.880 1.00 0.00 H new ATOM 0 HG SER A 108 -8.879 7.388 7.648 1.00 0.00 H new ATOM 1698 N PHE A 109 -5.017 7.999 4.219 1.00 0.00 N ATOM 1699 CA PHE A 109 -3.798 7.469 3.621 1.00 0.00 C ATOM 1700 C PHE A 109 -3.360 6.182 4.311 1.00 0.00 C ATOM 1701 O PHE A 109 -2.829 5.275 3.672 1.00 0.00 O ATOM 1702 CB PHE A 109 -2.680 8.513 3.686 1.00 0.00 C ATOM 1703 CG PHE A 109 -2.899 9.702 2.783 1.00 0.00 C ATOM 1704 CD1 PHE A 109 -4.069 9.837 2.045 1.00 0.00 C ATOM 1705 CD2 PHE A 109 -1.929 10.687 2.674 1.00 0.00 C ATOM 1706 CE1 PHE A 109 -4.263 10.926 1.219 1.00 0.00 C ATOM 1707 CE2 PHE A 109 -2.120 11.780 1.848 1.00 0.00 C ATOM 1708 CZ PHE A 109 -3.288 11.899 1.119 1.00 0.00 C ATOM 0 H PHE A 109 -4.899 8.893 4.696 1.00 0.00 H new ATOM 0 HA PHE A 109 -4.007 7.237 2.577 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -2.583 8.863 4.714 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.736 8.037 3.421 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -4.836 9.080 2.119 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -1.014 10.600 3.241 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -5.177 11.017 0.651 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -1.357 12.540 1.773 1.00 0.00 H new ATOM 0 HZ PHE A 109 -3.438 12.751 0.473 1.00 0.00 H new ATOM 1718 N GLU A 110 -3.585 6.105 5.618 1.00 0.00 N ATOM 1719 CA GLU A 110 -3.214 4.924 6.389 1.00 0.00 C ATOM 1720 C GLU A 110 -4.166 3.766 6.103 1.00 0.00 C ATOM 1721 O GLU A 110 -3.769 2.599 6.120 1.00 0.00 O ATOM 1722 CB GLU A 110 -3.213 5.243 7.884 1.00 0.00 C ATOM 1723 CG GLU A 110 -2.313 6.410 8.257 1.00 0.00 C ATOM 1724 CD GLU A 110 -3.094 7.624 8.722 1.00 0.00 C ATOM 1725 OE1 GLU A 110 -3.502 7.651 9.902 1.00 0.00 O ATOM 1726 OE2 GLU A 110 -3.296 8.549 7.907 1.00 0.00 O ATOM 0 H GLU A 110 -4.022 6.846 6.166 1.00 0.00 H new ATOM 0 HA GLU A 110 -2.209 4.627 6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -4.232 5.466 8.200 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -2.894 4.358 8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -1.629 6.099 9.046 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.703 6.683 7.396 1.00 0.00 H new ATOM 1733 N GLU A 111 -5.430 4.097 5.850 1.00 0.00 N ATOM 1734 CA GLU A 111 -6.446 3.088 5.571 1.00 0.00 C ATOM 1735 C GLU A 111 -6.197 2.397 4.233 1.00 0.00 C ATOM 1736 O GLU A 111 -6.398 1.189 4.105 1.00 0.00 O ATOM 1737 CB GLU A 111 -7.837 3.721 5.580 1.00 0.00 C ATOM 1738 CG GLU A 111 -8.915 2.817 6.155 1.00 0.00 C ATOM 1739 CD GLU A 111 -8.934 2.824 7.671 1.00 0.00 C ATOM 1740 OE1 GLU A 111 -7.856 3.008 8.277 1.00 0.00 O ATOM 1741 OE2 GLU A 111 -10.025 2.647 8.253 1.00 0.00 O ATOM 0 H GLU A 111 -5.774 5.057 5.833 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.388 2.334 6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.803 4.644 6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.109 3.993 4.560 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.888 3.135 5.782 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.756 1.798 5.802 1.00 0.00 H new ATOM 1748 N ARG A 112 -5.765 3.163 3.236 1.00 0.00 N ATOM 1749 CA ARG A 112 -5.505 2.604 1.912 1.00 0.00 C ATOM 1750 C ARG A 112 -4.493 1.465 1.993 1.00 0.00 C ATOM 1751 O ARG A 112 -4.605 0.472 1.273 1.00 0.00 O ATOM 1752 CB ARG A 112 -5.007 3.693 0.953 1.00 0.00 C ATOM 1753 CG ARG A 112 -3.529 4.029 1.101 1.00 0.00 C ATOM 1754 CD ARG A 112 -2.669 3.225 0.137 1.00 0.00 C ATOM 1755 NE ARG A 112 -3.013 3.484 -1.260 1.00 0.00 N ATOM 1756 CZ ARG A 112 -2.192 3.251 -2.282 1.00 0.00 C ATOM 1757 NH1 ARG A 112 -0.981 2.748 -2.070 1.00 0.00 N ATOM 1758 NH2 ARG A 112 -2.582 3.519 -3.520 1.00 0.00 N ATOM 0 H ARG A 112 -5.588 4.164 3.317 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.442 2.204 1.525 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -5.194 3.372 -0.072 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -5.592 4.599 1.115 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -3.378 5.094 0.922 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -3.211 3.830 2.125 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.619 3.467 0.301 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -2.788 2.162 0.347 1.00 0.00 H new ATOM 0 HE ARG A 112 -3.937 3.866 -1.464 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.675 2.538 -1.120 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -0.357 2.572 -2.857 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -3.511 3.904 -3.690 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -1.953 3.340 -4.303 1.00 0.00 H new ATOM 1772 N ASP A 113 -3.512 1.610 2.874 1.00 0.00 N ATOM 1773 CA ASP A 113 -2.491 0.587 3.047 1.00 0.00 C ATOM 1774 C ASP A 113 -3.057 -0.609 3.799 1.00 0.00 C ATOM 1775 O ASP A 113 -2.870 -1.754 3.391 1.00 0.00 O ATOM 1776 CB ASP A 113 -1.281 1.155 3.792 1.00 0.00 C ATOM 1777 CG ASP A 113 -0.312 1.863 2.864 1.00 0.00 C ATOM 1778 OD1 ASP A 113 0.555 1.181 2.278 1.00 0.00 O ATOM 1779 OD2 ASP A 113 -0.420 3.100 2.725 1.00 0.00 O ATOM 0 H ASP A 113 -3.402 2.424 3.478 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.167 0.257 2.060 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.623 1.852 4.557 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.762 0.346 4.307 1.00 0.00 H new ATOM 1784 N ALA A 114 -3.761 -0.336 4.893 1.00 0.00 N ATOM 1785 CA ALA A 114 -4.361 -1.401 5.687 1.00 0.00 C ATOM 1786 C ALA A 114 -5.249 -2.273 4.812 1.00 0.00 C ATOM 1787 O ALA A 114 -5.144 -3.496 4.831 1.00 0.00 O ATOM 1788 CB ALA A 114 -5.156 -0.820 6.847 1.00 0.00 C ATOM 0 H ALA A 114 -3.929 0.606 5.247 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.563 -2.020 6.098 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.596 -1.630 7.428 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.494 -0.234 7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.948 -0.179 6.460 1.00 0.00 H new ATOM 1794 N TRP A 115 -6.113 -1.631 4.034 1.00 0.00 N ATOM 1795 CA TRP A 115 -7.008 -2.343 3.133 1.00 0.00 C ATOM 1796 C TRP A 115 -6.220 -3.183 2.140 1.00 0.00 C ATOM 1797 O TRP A 115 -6.429 -4.390 2.034 1.00 0.00 O ATOM 1798 CB TRP A 115 -7.888 -1.351 2.392 1.00 0.00 C ATOM 1799 CG TRP A 115 -9.101 -0.981 3.169 1.00 0.00 C ATOM 1800 CD1 TRP A 115 -9.280 0.133 3.930 1.00 0.00 C ATOM 1801 CD2 TRP A 115 -10.296 -1.744 3.287 1.00 0.00 C ATOM 1802 NE1 TRP A 115 -10.526 0.122 4.492 1.00 0.00 N ATOM 1803 CE2 TRP A 115 -11.171 -1.022 4.114 1.00 0.00 C ATOM 1804 CE3 TRP A 115 -10.717 -2.967 2.767 1.00 0.00 C ATOM 1805 CZ2 TRP A 115 -12.439 -1.486 4.429 1.00 0.00 C ATOM 1806 CZ3 TRP A 115 -11.976 -3.419 3.092 1.00 0.00 C ATOM 1807 CH2 TRP A 115 -12.819 -2.685 3.908 1.00 0.00 C ATOM 0 H TRP A 115 -6.212 -0.616 4.010 1.00 0.00 H new ATOM 0 HA TRP A 115 -7.635 -3.011 3.724 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -7.312 -0.452 2.172 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -8.189 -1.779 1.436 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -8.545 0.912 4.069 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -10.911 0.849 5.095 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -10.071 -3.546 2.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -13.101 -0.917 5.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -12.313 -4.368 2.701 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.801 -3.072 4.137 1.00 0.00 H new ATOM 1818 N VAL A 116 -5.305 -2.543 1.417 1.00 0.00 N ATOM 1819 CA VAL A 116 -4.488 -3.249 0.442 1.00 0.00 C ATOM 1820 C VAL A 116 -3.758 -4.411 1.109 1.00 0.00 C ATOM 1821 O VAL A 116 -3.565 -5.468 0.505 1.00 0.00 O ATOM 1822 CB VAL A 116 -3.472 -2.304 -0.232 1.00 0.00 C ATOM 1823 CG1 VAL A 116 -2.526 -3.076 -1.142 1.00 0.00 C ATOM 1824 CG2 VAL A 116 -4.197 -1.217 -1.011 1.00 0.00 C ATOM 0 H VAL A 116 -5.113 -1.544 1.489 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.152 -3.637 -0.331 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.875 -1.834 0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.821 -2.385 -1.604 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -1.979 -3.815 -0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.100 -3.582 -1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -3.467 -0.558 -1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.821 -1.674 -1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.823 -0.639 -0.332 1.00 0.00 H new ATOM 1834 N GLN A 117 -3.373 -4.214 2.368 1.00 0.00 N ATOM 1835 CA GLN A 117 -2.686 -5.252 3.120 1.00 0.00 C ATOM 1836 C GLN A 117 -3.686 -6.263 3.670 1.00 0.00 C ATOM 1837 O GLN A 117 -3.354 -7.427 3.878 1.00 0.00 O ATOM 1838 CB GLN A 117 -1.872 -4.639 4.261 1.00 0.00 C ATOM 1839 CG GLN A 117 -0.381 -4.563 3.972 1.00 0.00 C ATOM 1840 CD GLN A 117 0.465 -4.750 5.216 1.00 0.00 C ATOM 1841 OE1 GLN A 117 1.464 -5.467 5.200 1.00 0.00 O ATOM 1842 NE2 GLN A 117 0.066 -4.102 6.304 1.00 0.00 N ATOM 0 H GLN A 117 -3.526 -3.348 2.884 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.004 -5.769 2.445 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.246 -3.636 4.465 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.029 -5.227 5.165 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -0.117 -5.326 3.240 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -0.151 -3.597 3.522 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -0.769 -3.518 6.272 1.00 0.00 H new ATOM 0 HE22 GLN A 117 0.595 -4.189 7.172 1.00 0.00 H new ATOM 1851 N ALA A 118 -4.918 -5.811 3.891 1.00 0.00 N ATOM 1852 CA ALA A 118 -5.966 -6.680 4.401 1.00 0.00 C ATOM 1853 C ALA A 118 -6.411 -7.655 3.324 1.00 0.00 C ATOM 1854 O ALA A 118 -6.578 -8.847 3.576 1.00 0.00 O ATOM 1855 CB ALA A 118 -7.146 -5.855 4.892 1.00 0.00 C ATOM 0 H ALA A 118 -5.211 -4.848 3.724 1.00 0.00 H new ATOM 0 HA ALA A 118 -5.569 -7.249 5.242 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -7.922 -6.520 5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.817 -5.189 5.690 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.545 -5.264 4.068 1.00 0.00 H new ATOM 1861 N ILE A 119 -6.585 -7.138 2.116 1.00 0.00 N ATOM 1862 CA ILE A 119 -6.995 -7.958 0.990 1.00 0.00 C ATOM 1863 C ILE A 119 -5.892 -8.952 0.635 1.00 0.00 C ATOM 1864 O ILE A 119 -6.144 -10.150 0.505 1.00 0.00 O ATOM 1865 CB ILE A 119 -7.349 -7.086 -0.241 1.00 0.00 C ATOM 1866 CG1 ILE A 119 -8.726 -6.443 -0.050 1.00 0.00 C ATOM 1867 CG2 ILE A 119 -7.325 -7.910 -1.523 1.00 0.00 C ATOM 1868 CD1 ILE A 119 -8.691 -5.139 0.716 1.00 0.00 C ATOM 0 H ILE A 119 -6.448 -6.152 1.892 1.00 0.00 H new ATOM 0 HA ILE A 119 -7.891 -8.507 1.280 1.00 0.00 H new ATOM 0 HB ILE A 119 -6.598 -6.302 -0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -9.173 -6.267 -1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -9.374 -7.145 0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -7.577 -7.272 -2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -6.329 -8.329 -1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -8.052 -8.719 -1.449 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -9.703 -4.745 0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -8.275 -5.311 1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -8.070 -4.420 0.182 1.00 0.00 H new ATOM 1880 N GLU A 120 -4.664 -8.455 0.496 1.00 0.00 N ATOM 1881 CA GLU A 120 -3.538 -9.321 0.175 1.00 0.00 C ATOM 1882 C GLU A 120 -3.287 -10.301 1.318 1.00 0.00 C ATOM 1883 O GLU A 120 -2.866 -11.435 1.094 1.00 0.00 O ATOM 1884 CB GLU A 120 -2.280 -8.492 -0.102 1.00 0.00 C ATOM 1885 CG GLU A 120 -1.705 -7.816 1.132 1.00 0.00 C ATOM 1886 CD GLU A 120 -0.586 -8.618 1.768 1.00 0.00 C ATOM 1887 OE1 GLU A 120 -0.888 -9.607 2.468 1.00 0.00 O ATOM 1888 OE2 GLU A 120 0.593 -8.259 1.564 1.00 0.00 O ATOM 0 H GLU A 120 -4.428 -7.468 0.600 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.781 -9.885 -0.726 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.519 -9.139 -0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.515 -7.730 -0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.331 -6.829 0.860 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.500 -7.665 1.863 1.00 0.00 H new ATOM 1895 N SER A 121 -3.558 -9.854 2.541 1.00 0.00 N ATOM 1896 CA SER A 121 -3.371 -10.692 3.717 1.00 0.00 C ATOM 1897 C SER A 121 -4.348 -11.860 3.705 1.00 0.00 C ATOM 1898 O SER A 121 -3.965 -13.004 3.952 1.00 0.00 O ATOM 1899 CB SER A 121 -3.553 -9.874 4.997 1.00 0.00 C ATOM 1900 OG SER A 121 -3.706 -10.717 6.125 1.00 0.00 O ATOM 0 H SER A 121 -3.907 -8.917 2.741 1.00 0.00 H new ATOM 0 HA SER A 121 -2.354 -11.084 3.693 1.00 0.00 H new ATOM 0 HB2 SER A 121 -2.691 -9.222 5.141 1.00 0.00 H new ATOM 0 HB3 SER A 121 -4.427 -9.230 4.899 1.00 0.00 H new ATOM 0 HG SER A 121 -3.819 -10.169 6.930 1.00 0.00 H new ATOM 1906 N GLN A 122 -5.608 -11.564 3.411 1.00 0.00 N ATOM 1907 CA GLN A 122 -6.635 -12.598 3.362 1.00 0.00 C ATOM 1908 C GLN A 122 -6.330 -13.601 2.256 1.00 0.00 C ATOM 1909 O GLN A 122 -6.648 -14.785 2.372 1.00 0.00 O ATOM 1910 CB GLN A 122 -8.014 -11.969 3.146 1.00 0.00 C ATOM 1911 CG GLN A 122 -8.874 -11.944 4.402 1.00 0.00 C ATOM 1912 CD GLN A 122 -8.122 -11.429 5.615 1.00 0.00 C ATOM 1913 OE1 GLN A 122 -8.056 -12.097 6.647 1.00 0.00 O ATOM 1914 NE2 GLN A 122 -7.548 -10.238 5.495 1.00 0.00 N ATOM 0 H GLN A 122 -5.942 -10.623 3.204 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.639 -13.126 4.315 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -7.886 -10.949 2.782 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -8.539 -12.522 2.367 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -9.747 -11.316 4.227 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -9.241 -12.950 4.607 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -7.628 -9.719 4.621 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -7.027 -9.842 6.277 1.00 0.00 H new ATOM 1923 N ILE A 123 -5.704 -13.121 1.185 1.00 0.00 N ATOM 1924 CA ILE A 123 -5.348 -13.979 0.063 1.00 0.00 C ATOM 1925 C ILE A 123 -4.221 -14.934 0.443 1.00 0.00 C ATOM 1926 O ILE A 123 -4.220 -16.100 0.047 1.00 0.00 O ATOM 1927 CB ILE A 123 -4.921 -13.148 -1.165 1.00 0.00 C ATOM 1928 CG1 ILE A 123 -6.046 -12.202 -1.582 1.00 0.00 C ATOM 1929 CG2 ILE A 123 -4.542 -14.059 -2.323 1.00 0.00 C ATOM 1930 CD1 ILE A 123 -5.555 -10.939 -2.255 1.00 0.00 C ATOM 0 H ILE A 123 -5.434 -12.144 1.072 1.00 0.00 H new ATOM 0 HA ILE A 123 -6.236 -14.556 -0.194 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.048 -12.556 -0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -6.719 -12.727 -2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -6.628 -11.932 -0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.244 -13.454 -3.179 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -3.712 -14.700 -2.025 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -5.398 -14.676 -2.595 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -6.407 -10.315 -2.524 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.906 -10.392 -1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -4.998 -11.199 -3.155 1.00 0.00 H new ATOM 1942 N LEU A 124 -3.264 -14.433 1.215 1.00 0.00 N ATOM 1943 CA LEU A 124 -2.133 -15.240 1.651 1.00 0.00 C ATOM 1944 C LEU A 124 -2.582 -16.316 2.635 1.00 0.00 C ATOM 1945 O LEU A 124 -2.048 -17.425 2.646 1.00 0.00 O ATOM 1946 CB LEU A 124 -1.060 -14.354 2.290 1.00 0.00 C ATOM 1947 CG LEU A 124 0.334 -14.481 1.677 1.00 0.00 C ATOM 1948 CD1 LEU A 124 0.431 -13.662 0.398 1.00 0.00 C ATOM 1949 CD2 LEU A 124 1.397 -14.042 2.674 1.00 0.00 C ATOM 0 H LEU A 124 -3.250 -13.470 1.552 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.708 -15.731 0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.379 -13.314 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -0.997 -14.595 3.351 1.00 0.00 H new ATOM 0 HG LEU A 124 0.507 -15.528 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.430 -13.764 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -0.305 -14.021 -0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 124 0.238 -12.613 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 124 2.383 -14.139 2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.227 -13.002 2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 124 1.343 -14.670 3.563 1.00 0.00 H new ATOM 1961 N ALA A 125 -3.568 -15.980 3.460 1.00 0.00 N ATOM 1962 CA ALA A 125 -4.093 -16.915 4.448 1.00 0.00 C ATOM 1963 C ALA A 125 -4.995 -17.953 3.793 1.00 0.00 C ATOM 1964 O ALA A 125 -5.061 -19.101 4.234 1.00 0.00 O ATOM 1965 CB ALA A 125 -4.848 -16.167 5.535 1.00 0.00 C ATOM 0 H ALA A 125 -4.020 -15.066 3.464 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.251 -17.437 4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -5.234 -16.878 6.265 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.174 -15.468 6.030 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.678 -15.618 5.090 1.00 0.00 H new ATOM 1971 N SER A 126 -5.688 -17.544 2.735 1.00 0.00 N ATOM 1972 CA SER A 126 -6.587 -18.439 2.016 1.00 0.00 C ATOM 1973 C SER A 126 -5.804 -19.376 1.102 1.00 0.00 C ATOM 1974 O SER A 126 -6.216 -20.510 0.859 1.00 0.00 O ATOM 1975 CB SER A 126 -7.597 -17.633 1.197 1.00 0.00 C ATOM 1976 OG SER A 126 -8.801 -17.439 1.919 1.00 0.00 O ATOM 0 H SER A 126 -5.644 -16.598 2.357 1.00 0.00 H new ATOM 0 HA SER A 126 -7.124 -19.041 2.749 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.168 -16.666 0.934 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.809 -18.153 0.263 1.00 0.00 H new ATOM 0 HG SER A 126 -9.429 -16.920 1.374 1.00 0.00 H new