USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 730 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 28 TYR OH : rot -102:sc= 0.531 USER MOD Set 1.2: A 37 MET CE :methyl 136:sc= -0.0422 (180deg=-3.06!) USER MOD Set 1.3: A 64 HIS : no HD1:sc= 0.443 K(o=0.93,f=-0.35) USER MOD Set 2.1: A 32 ASN : amide:sc= -0.102 K(o=-0.1,f=-2!) USER MOD Set 2.2: A 33 ASN : amide:sc= 0 X(o=-0.1,f=-0.1) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.878 F(o=-4.1!,f=-0.88) USER MOD Single : A 14 LYS NZ :NH3+ -154:sc= -0.0203 (180deg=-0.26) USER MOD Single : A 19 THR OG1 : rot -160:sc= -0.413 USER MOD Single : A 22 HIS : no HE2:sc= 0.992 K(o=0.99,f=-5.6!) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= 1.24 (180deg=1.03) USER MOD Single : A 30 MET CE :methyl -162:sc= -0.102 (180deg=-0.584) USER MOD Single : A 35 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.019) USER MOD Single : A 41 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.00067) USER MOD Single : A 42 THR OG1 : rot 120:sc= -0.722 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= 1.24 (180deg=1.18) USER MOD Single : A 55 SER OG : rot 180:sc= 0.00218 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 58 CYS SG : rot -62:sc= -0.243! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -95:sc= 1.28 USER MOD Single : A 68 HIS : no HD1:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 33:sc= 1.25 USER MOD Single : A 75 SER OG : rot 89:sc= 1.01 USER MOD Single : A 76 CYS SG : rot 19:sc= -2.05 USER MOD Single : A 77 SER OG : rot -62:sc= 1.35 USER MOD Single : A 78 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 SER OG : rot -60:sc= -3.91! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN :FLIP amide:sc= -0.32 F(o=-1,f=-0.32) USER MOD Single : A 89 SER OG : rot 77:sc= 0.643 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.0851 X(o=-0.085,f=0) USER MOD Single : A 96 SER OG : rot -31:sc= -1.82! USER MOD ----------------------------------------------------------------- ATOM 73 N PRO A 6 10.514 1.671 -8.673 1.00 0.66 N ATOM 74 CA PRO A 6 10.894 0.790 -7.564 1.00 0.47 C ATOM 75 C PRO A 6 10.620 -0.682 -7.860 1.00 0.48 C ATOM 76 O PRO A 6 9.783 -1.015 -8.703 1.00 0.62 O ATOM 77 CB PRO A 6 10.013 1.265 -6.398 1.00 0.59 C ATOM 78 CG PRO A 6 9.379 2.539 -6.856 1.00 0.87 C ATOM 79 CD PRO A 6 9.317 2.453 -8.351 1.00 0.84 C ATOM 0 HA PRO A 6 11.964 0.848 -7.362 1.00 0.47 H new ATOM 0 HB2 PRO A 6 9.257 0.520 -6.151 1.00 0.59 H new ATOM 0 HB3 PRO A 6 10.608 1.426 -5.499 1.00 0.59 H new ATOM 0 HG2 PRO A 6 8.382 2.655 -6.430 1.00 0.87 H new ATOM 0 HG3 PRO A 6 9.964 3.402 -6.538 1.00 0.87 H new ATOM 0 HD2 PRO A 6 8.406 1.960 -8.692 1.00 0.84 H new ATOM 0 HD3 PRO A 6 9.339 3.439 -8.816 1.00 0.84 H new ATOM 87 N LYS A 7 11.310 -1.558 -7.140 1.00 0.45 N ATOM 88 CA LYS A 7 11.175 -2.994 -7.325 1.00 0.52 C ATOM 89 C LYS A 7 10.592 -3.586 -6.062 1.00 0.42 C ATOM 90 O LYS A 7 11.312 -3.851 -5.102 1.00 0.42 O ATOM 91 CB LYS A 7 12.533 -3.644 -7.626 1.00 0.65 C ATOM 92 CG LYS A 7 13.251 -3.109 -8.864 1.00 1.24 C ATOM 93 CD LYS A 7 12.630 -3.603 -10.162 1.00 1.37 C ATOM 94 CE LYS A 7 11.406 -2.796 -10.558 1.00 1.70 C ATOM 95 NZ LYS A 7 10.798 -3.292 -11.819 1.00 2.49 N ATOM 0 H LYS A 7 11.976 -1.292 -6.415 1.00 0.45 H new ATOM 0 HA LYS A 7 10.519 -3.185 -8.174 1.00 0.52 H new ATOM 0 HB2 LYS A 7 13.183 -3.507 -6.762 1.00 0.65 H new ATOM 0 HB3 LYS A 7 12.385 -4.717 -7.747 1.00 0.65 H new ATOM 0 HG2 LYS A 7 13.231 -2.019 -8.848 1.00 1.24 H new ATOM 0 HG3 LYS A 7 14.298 -3.409 -8.830 1.00 1.24 H new ATOM 0 HD2 LYS A 7 13.371 -3.551 -10.960 1.00 1.37 H new ATOM 0 HD3 LYS A 7 12.352 -4.651 -10.053 1.00 1.37 H new ATOM 0 HE2 LYS A 7 10.668 -2.840 -9.757 1.00 1.70 H new ATOM 0 HE3 LYS A 7 11.685 -1.749 -10.677 1.00 1.70 H new ATOM 0 HZ1 LYS A 7 9.966 -2.714 -12.054 1.00 2.49 H new ATOM 0 HZ2 LYS A 7 11.494 -3.226 -12.589 1.00 2.49 H new ATOM 0 HZ3 LYS A 7 10.508 -4.283 -11.698 1.00 2.49 H new ATOM 109 N ILE A 8 9.287 -3.756 -6.042 1.00 0.41 N ATOM 110 CA ILE A 8 8.616 -4.156 -4.824 1.00 0.34 C ATOM 111 C ILE A 8 8.420 -5.667 -4.793 1.00 0.36 C ATOM 112 O ILE A 8 7.745 -6.230 -5.656 1.00 0.48 O ATOM 113 CB ILE A 8 7.249 -3.458 -4.669 1.00 0.45 C ATOM 114 CG1 ILE A 8 7.346 -1.974 -5.056 1.00 0.72 C ATOM 115 CG2 ILE A 8 6.758 -3.601 -3.235 1.00 0.36 C ATOM 116 CD1 ILE A 8 8.179 -1.138 -4.107 1.00 0.39 C ATOM 0 H ILE A 8 8.675 -3.625 -6.847 1.00 0.41 H new ATOM 0 HA ILE A 8 9.252 -3.853 -3.992 1.00 0.34 H new ATOM 0 HB ILE A 8 6.535 -3.936 -5.340 1.00 0.45 H new ATOM 0 HG12 ILE A 8 7.770 -1.898 -6.057 1.00 0.72 H new ATOM 0 HG13 ILE A 8 6.340 -1.556 -5.104 1.00 0.72 H new ATOM 0 HG21 ILE A 8 5.792 -3.107 -3.130 1.00 0.36 H new ATOM 0 HG22 ILE A 8 6.653 -4.658 -2.990 1.00 0.36 H new ATOM 0 HG23 ILE A 8 7.477 -3.141 -2.557 1.00 0.36 H new ATOM 0 HD11 ILE A 8 8.196 -0.104 -4.452 1.00 0.39 H new ATOM 0 HD12 ILE A 8 7.745 -1.180 -3.108 1.00 0.39 H new ATOM 0 HD13 ILE A 8 9.197 -1.527 -4.077 1.00 0.39 H new ATOM 128 N VAL A 9 9.000 -6.316 -3.796 1.00 0.31 N ATOM 129 CA VAL A 9 8.945 -7.766 -3.697 1.00 0.36 C ATOM 130 C VAL A 9 7.913 -8.184 -2.675 1.00 0.34 C ATOM 131 O VAL A 9 7.866 -7.641 -1.574 1.00 0.47 O ATOM 132 CB VAL A 9 10.308 -8.358 -3.290 1.00 0.41 C ATOM 133 CG1 VAL A 9 10.271 -9.882 -3.312 1.00 0.89 C ATOM 134 CG2 VAL A 9 11.395 -7.829 -4.201 1.00 0.86 C ATOM 0 H VAL A 9 9.515 -5.861 -3.043 1.00 0.31 H new ATOM 0 HA VAL A 9 8.674 -8.146 -4.682 1.00 0.36 H new ATOM 0 HB VAL A 9 10.529 -8.049 -2.268 1.00 0.41 H new ATOM 0 HG11 VAL A 9 11.246 -10.274 -3.021 1.00 0.89 H new ATOM 0 HG12 VAL A 9 9.513 -10.238 -2.614 1.00 0.89 H new ATOM 0 HG13 VAL A 9 10.027 -10.226 -4.317 1.00 0.89 H new ATOM 0 HG21 VAL A 9 12.355 -8.253 -3.906 1.00 0.86 H new ATOM 0 HG22 VAL A 9 11.175 -8.110 -5.231 1.00 0.86 H new ATOM 0 HG23 VAL A 9 11.438 -6.743 -4.123 1.00 0.86 H new ATOM 144 N TRP A 10 7.085 -9.141 -3.031 1.00 0.33 N ATOM 145 CA TRP A 10 6.085 -9.626 -2.104 1.00 0.31 C ATOM 146 C TRP A 10 6.691 -10.642 -1.147 1.00 0.34 C ATOM 147 O TRP A 10 6.968 -11.785 -1.518 1.00 0.42 O ATOM 148 CB TRP A 10 4.894 -10.230 -2.847 1.00 0.38 C ATOM 149 CG TRP A 10 3.830 -10.744 -1.917 1.00 0.41 C ATOM 150 CD1 TRP A 10 3.435 -10.174 -0.743 1.00 0.40 C ATOM 151 CD2 TRP A 10 3.027 -11.918 -2.083 1.00 0.50 C ATOM 152 NE1 TRP A 10 2.453 -10.923 -0.156 1.00 0.46 N ATOM 153 CE2 TRP A 10 2.177 -11.999 -0.961 1.00 0.52 C ATOM 154 CE3 TRP A 10 2.945 -12.910 -3.064 1.00 0.60 C ATOM 155 CZ2 TRP A 10 1.257 -13.033 -0.801 1.00 0.62 C ATOM 156 CZ3 TRP A 10 2.031 -13.934 -2.901 1.00 0.71 C ATOM 157 CH2 TRP A 10 1.198 -13.989 -1.777 1.00 0.72 C ATOM 0 H TRP A 10 7.083 -9.595 -3.944 1.00 0.33 H new ATOM 0 HA TRP A 10 5.724 -8.777 -1.523 1.00 0.31 H new ATOM 0 HB2 TRP A 10 4.462 -9.477 -3.506 1.00 0.38 H new ATOM 0 HB3 TRP A 10 5.242 -11.046 -3.481 1.00 0.38 H new ATOM 0 HD1 TRP A 10 3.840 -9.260 -0.334 1.00 0.40 H new ATOM 0 HE1 TRP A 10 2.000 -10.716 0.734 1.00 0.46 H new ATOM 0 HE3 TRP A 10 3.584 -12.877 -3.934 1.00 0.60 H new ATOM 0 HZ2 TRP A 10 0.612 -13.078 0.064 1.00 0.62 H new ATOM 0 HZ3 TRP A 10 1.958 -14.705 -3.654 1.00 0.71 H new ATOM 0 HH2 TRP A 10 0.495 -14.803 -1.679 1.00 0.72 H new ATOM 168 N ASN A 11 6.896 -10.210 0.087 1.00 0.34 N ATOM 169 CA ASN A 11 7.397 -11.083 1.134 1.00 0.43 C ATOM 170 C ASN A 11 6.220 -11.826 1.752 1.00 0.45 C ATOM 171 O ASN A 11 5.722 -11.465 2.825 1.00 0.46 O ATOM 172 CB ASN A 11 8.150 -10.279 2.201 1.00 0.47 C ATOM 173 CG ASN A 11 9.055 -11.146 3.058 1.00 0.63 C ATOM 174 OD1 ASN A 11 8.532 -11.648 4.166 1.00 1.39 O flip ATOM 175 ND2 ASN A 11 10.222 -11.351 2.731 1.00 1.08 N flip ATOM 0 H ASN A 11 6.721 -9.251 0.389 1.00 0.34 H new ATOM 0 HA ASN A 11 8.100 -11.798 0.707 1.00 0.43 H new ATOM 0 HB2 ASN A 11 8.747 -9.508 1.715 1.00 0.47 H new ATOM 0 HB3 ASN A 11 7.430 -9.769 2.841 1.00 0.47 H new ATOM 0 HD21 ASN A 11 10.589 -10.947 1.869 1.00 1.08 H new ATOM 0 HD22 ASN A 11 10.824 -11.925 3.321 1.00 1.08 H new ATOM 182 N GLU A 12 5.758 -12.837 1.027 1.00 0.53 N ATOM 183 CA GLU A 12 4.571 -13.610 1.385 1.00 0.59 C ATOM 184 C GLU A 12 4.642 -14.171 2.804 1.00 0.62 C ATOM 185 O GLU A 12 3.619 -14.283 3.479 1.00 0.65 O ATOM 186 CB GLU A 12 4.373 -14.745 0.375 1.00 0.76 C ATOM 187 CG GLU A 12 5.625 -15.574 0.128 1.00 1.09 C ATOM 188 CD GLU A 12 5.457 -16.567 -1.003 1.00 1.43 C ATOM 189 OE1 GLU A 12 5.712 -16.196 -2.170 1.00 1.92 O ATOM 190 OE2 GLU A 12 5.078 -17.727 -0.732 1.00 1.71 O ATOM 0 H GLU A 12 6.201 -13.149 0.163 1.00 0.53 H new ATOM 0 HA GLU A 12 3.717 -12.933 1.356 1.00 0.59 H new ATOM 0 HB2 GLU A 12 3.579 -15.401 0.731 1.00 0.76 H new ATOM 0 HB3 GLU A 12 4.036 -14.322 -0.571 1.00 0.76 H new ATOM 0 HG2 GLU A 12 6.457 -14.908 -0.100 1.00 1.09 H new ATOM 0 HG3 GLU A 12 5.886 -16.110 1.040 1.00 1.09 H new ATOM 197 N GLY A 13 5.847 -14.499 3.262 1.00 0.65 N ATOM 198 CA GLY A 13 6.010 -15.048 4.596 1.00 0.73 C ATOM 199 C GLY A 13 5.619 -14.064 5.684 1.00 0.70 C ATOM 200 O GLY A 13 5.346 -14.455 6.818 1.00 0.80 O ATOM 0 H GLY A 13 6.713 -14.394 2.733 1.00 0.65 H new ATOM 0 HA2 GLY A 13 5.404 -15.949 4.691 1.00 0.73 H new ATOM 0 HA3 GLY A 13 7.049 -15.347 4.738 1.00 0.73 H new ATOM 204 N LYS A 14 5.592 -12.782 5.334 1.00 0.59 N ATOM 205 CA LYS A 14 5.247 -11.724 6.278 1.00 0.59 C ATOM 206 C LYS A 14 3.962 -11.023 5.855 1.00 0.51 C ATOM 207 O LYS A 14 3.593 -10.004 6.436 1.00 0.55 O ATOM 208 CB LYS A 14 6.380 -10.695 6.383 1.00 0.61 C ATOM 209 CG LYS A 14 7.355 -10.925 7.533 1.00 0.86 C ATOM 210 CD LYS A 14 8.067 -12.262 7.451 1.00 1.21 C ATOM 211 CE LYS A 14 7.587 -13.197 8.547 1.00 1.26 C ATOM 212 NZ LYS A 14 7.953 -12.714 9.905 1.00 1.79 N ATOM 0 H LYS A 14 5.807 -12.448 4.394 1.00 0.59 H new ATOM 0 HA LYS A 14 5.097 -12.186 7.254 1.00 0.59 H new ATOM 0 HB2 LYS A 14 6.939 -10.695 5.447 1.00 0.61 H new ATOM 0 HB3 LYS A 14 5.941 -9.703 6.492 1.00 0.61 H new ATOM 0 HG2 LYS A 14 8.096 -10.125 7.539 1.00 0.86 H new ATOM 0 HG3 LYS A 14 6.814 -10.865 8.477 1.00 0.86 H new ATOM 0 HD2 LYS A 14 7.888 -12.715 6.476 1.00 1.21 H new ATOM 0 HD3 LYS A 14 9.143 -12.112 7.540 1.00 1.21 H new ATOM 0 HE2 LYS A 14 6.504 -13.303 8.482 1.00 1.26 H new ATOM 0 HE3 LYS A 14 8.014 -14.187 8.389 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 8.018 -13.523 10.555 1.00 1.79 H new ATOM 0 HZ2 LYS A 14 8.871 -12.227 9.865 1.00 1.79 H new ATOM 0 HZ3 LYS A 14 7.226 -12.053 10.246 1.00 1.79 H new ATOM 226 N ARG A 15 3.295 -11.572 4.835 1.00 0.45 N ATOM 227 CA ARG A 15 2.039 -11.010 4.329 1.00 0.44 C ATOM 228 C ARG A 15 2.231 -9.590 3.794 1.00 0.37 C ATOM 229 O ARG A 15 1.287 -8.807 3.764 1.00 0.52 O ATOM 230 CB ARG A 15 0.981 -10.977 5.439 1.00 0.56 C ATOM 231 CG ARG A 15 0.554 -12.340 5.949 1.00 0.66 C ATOM 232 CD ARG A 15 -0.565 -12.933 5.107 1.00 0.87 C ATOM 233 NE ARG A 15 -1.277 -13.989 5.831 1.00 1.83 N ATOM 234 CZ ARG A 15 -2.466 -14.484 5.478 1.00 2.36 C ATOM 235 NH1 ARG A 15 -3.078 -14.054 4.379 1.00 2.32 N ATOM 236 NH2 ARG A 15 -3.040 -15.420 6.228 1.00 3.42 N ATOM 0 H ARG A 15 3.606 -12.409 4.342 1.00 0.45 H new ATOM 0 HA ARG A 15 1.707 -11.653 3.513 1.00 0.44 H new ATOM 0 HB2 ARG A 15 1.370 -10.397 6.276 1.00 0.56 H new ATOM 0 HB3 ARG A 15 0.101 -10.451 5.068 1.00 0.56 H new ATOM 0 HG2 ARG A 15 1.410 -13.015 5.943 1.00 0.66 H new ATOM 0 HG3 ARG A 15 0.223 -12.254 6.984 1.00 0.66 H new ATOM 0 HD2 ARG A 15 -1.266 -12.147 4.825 1.00 0.87 H new ATOM 0 HD3 ARG A 15 -0.152 -13.338 4.183 1.00 0.87 H new ATOM 0 HE ARG A 15 -0.833 -14.374 6.665 1.00 1.83 H new ATOM 0 HH11 ARG A 15 -2.640 -13.340 3.797 1.00 2.32 H new ATOM 0 HH12 ARG A 15 -3.986 -14.438 4.117 1.00 2.32 H new ATOM 0 HH21 ARG A 15 -2.572 -15.757 7.069 1.00 3.42 H new ATOM 0 HH22 ARG A 15 -3.948 -15.801 5.962 1.00 3.42 H new ATOM 250 N ARG A 16 3.432 -9.250 3.346 1.00 0.27 N ATOM 251 CA ARG A 16 3.698 -7.863 2.992 1.00 0.24 C ATOM 252 C ARG A 16 4.527 -7.712 1.736 1.00 0.23 C ATOM 253 O ARG A 16 5.017 -8.679 1.173 1.00 0.29 O ATOM 254 CB ARG A 16 4.415 -7.154 4.129 1.00 0.33 C ATOM 255 CG ARG A 16 5.838 -7.623 4.366 1.00 0.55 C ATOM 256 CD ARG A 16 6.446 -6.934 5.574 1.00 0.68 C ATOM 257 NE ARG A 16 7.901 -7.073 5.613 1.00 0.91 N ATOM 258 CZ ARG A 16 8.601 -7.300 6.722 1.00 1.02 C ATOM 259 NH1 ARG A 16 7.981 -7.489 7.883 1.00 1.02 N ATOM 260 NH2 ARG A 16 9.922 -7.352 6.660 1.00 1.86 N ATOM 0 H ARG A 16 4.215 -9.892 3.222 1.00 0.27 H new ATOM 0 HA ARG A 16 2.723 -7.413 2.805 1.00 0.24 H new ATOM 0 HB2 ARG A 16 4.428 -6.084 3.922 1.00 0.33 H new ATOM 0 HB3 ARG A 16 3.842 -7.294 5.046 1.00 0.33 H new ATOM 0 HG2 ARG A 16 5.848 -8.703 4.516 1.00 0.55 H new ATOM 0 HG3 ARG A 16 6.444 -7.418 3.483 1.00 0.55 H new ATOM 0 HD2 ARG A 16 6.184 -5.876 5.557 1.00 0.68 H new ATOM 0 HD3 ARG A 16 6.018 -7.354 6.484 1.00 0.68 H new ATOM 0 HE ARG A 16 8.412 -6.991 4.734 1.00 0.91 H new ATOM 0 HH11 ARG A 16 6.962 -7.461 7.928 1.00 1.02 H new ATOM 0 HH12 ARG A 16 8.524 -7.662 8.729 1.00 1.02 H new ATOM 0 HH21 ARG A 16 10.396 -7.219 5.767 1.00 1.86 H new ATOM 0 HH22 ARG A 16 10.466 -7.525 7.505 1.00 1.86 H new ATOM 274 N PHE A 17 4.695 -6.464 1.336 1.00 0.23 N ATOM 275 CA PHE A 17 5.539 -6.111 0.200 1.00 0.24 C ATOM 276 C PHE A 17 6.760 -5.358 0.699 1.00 0.30 C ATOM 277 O PHE A 17 6.649 -4.531 1.598 1.00 0.55 O ATOM 278 CB PHE A 17 4.799 -5.228 -0.811 1.00 0.28 C ATOM 279 CG PHE A 17 3.523 -5.805 -1.345 1.00 0.29 C ATOM 280 CD1 PHE A 17 3.537 -6.929 -2.151 1.00 0.33 C ATOM 281 CD2 PHE A 17 2.307 -5.211 -1.047 1.00 0.34 C ATOM 282 CE1 PHE A 17 2.362 -7.454 -2.652 1.00 0.39 C ATOM 283 CE2 PHE A 17 1.131 -5.732 -1.545 1.00 0.40 C ATOM 284 CZ PHE A 17 1.158 -6.855 -2.350 1.00 0.41 C ATOM 0 H PHE A 17 4.252 -5.664 1.787 1.00 0.23 H new ATOM 0 HA PHE A 17 5.826 -7.036 -0.299 1.00 0.24 H new ATOM 0 HB2 PHE A 17 4.577 -4.270 -0.340 1.00 0.28 H new ATOM 0 HB3 PHE A 17 5.466 -5.024 -1.649 1.00 0.28 H new ATOM 0 HD1 PHE A 17 4.478 -7.402 -2.391 1.00 0.33 H new ATOM 0 HD2 PHE A 17 2.280 -4.333 -0.419 1.00 0.34 H new ATOM 0 HE1 PHE A 17 2.387 -8.333 -3.280 1.00 0.39 H new ATOM 0 HE2 PHE A 17 0.189 -5.262 -1.306 1.00 0.40 H new ATOM 0 HZ PHE A 17 0.238 -7.262 -2.742 1.00 0.41 H new ATOM 294 N GLU A 18 7.909 -5.640 0.118 1.00 0.22 N ATOM 295 CA GLU A 18 9.150 -5.001 0.512 1.00 0.25 C ATOM 296 C GLU A 18 9.818 -4.395 -0.703 1.00 0.29 C ATOM 297 O GLU A 18 10.058 -5.081 -1.691 1.00 0.39 O ATOM 298 CB GLU A 18 10.065 -6.034 1.175 1.00 0.34 C ATOM 299 CG GLU A 18 10.894 -5.494 2.328 1.00 1.08 C ATOM 300 CD GLU A 18 11.482 -6.608 3.174 1.00 0.96 C ATOM 301 OE1 GLU A 18 12.562 -7.130 2.821 1.00 0.85 O ATOM 302 OE2 GLU A 18 10.861 -6.979 4.190 1.00 1.16 O ATOM 0 H GLU A 18 8.009 -6.317 -0.639 1.00 0.22 H new ATOM 0 HA GLU A 18 8.945 -4.204 1.227 1.00 0.25 H new ATOM 0 HB2 GLU A 18 9.455 -6.861 1.539 1.00 0.34 H new ATOM 0 HB3 GLU A 18 10.738 -6.442 0.421 1.00 0.34 H new ATOM 0 HG2 GLU A 18 11.699 -4.872 1.936 1.00 1.08 H new ATOM 0 HG3 GLU A 18 10.272 -4.853 2.953 1.00 1.08 H new ATOM 309 N THR A 19 10.101 -3.105 -0.638 1.00 0.25 N ATOM 310 CA THR A 19 10.708 -2.411 -1.759 1.00 0.29 C ATOM 311 C THR A 19 12.143 -2.893 -1.967 1.00 0.35 C ATOM 312 O THR A 19 12.682 -3.644 -1.149 1.00 0.37 O ATOM 313 CB THR A 19 10.680 -0.876 -1.548 1.00 0.33 C ATOM 314 OG1 THR A 19 11.072 -0.200 -2.747 1.00 0.46 O ATOM 315 CG2 THR A 19 11.599 -0.454 -0.420 1.00 0.37 C ATOM 0 H THR A 19 9.920 -2.519 0.177 1.00 0.25 H new ATOM 0 HA THR A 19 10.126 -2.639 -2.652 1.00 0.29 H new ATOM 0 HB THR A 19 9.657 -0.603 -1.287 1.00 0.33 H new ATOM 0 HG1 THR A 19 11.356 0.712 -2.530 1.00 0.46 H new ATOM 0 HG21 THR A 19 11.554 0.628 -0.300 1.00 0.37 H new ATOM 0 HG22 THR A 19 11.283 -0.935 0.506 1.00 0.37 H new ATOM 0 HG23 THR A 19 12.621 -0.751 -0.653 1.00 0.37 H new ATOM 323 N GLU A 20 12.755 -2.436 -3.048 1.00 0.43 N ATOM 324 CA GLU A 20 14.125 -2.799 -3.408 1.00 0.53 C ATOM 325 C GLU A 20 15.107 -2.381 -2.326 1.00 0.56 C ATOM 326 O GLU A 20 16.262 -2.801 -2.312 1.00 0.68 O ATOM 327 CB GLU A 20 14.486 -2.113 -4.718 1.00 0.62 C ATOM 328 CG GLU A 20 14.402 -0.598 -4.628 1.00 0.77 C ATOM 329 CD GLU A 20 14.700 0.079 -5.937 1.00 1.31 C ATOM 330 OE1 GLU A 20 13.780 0.194 -6.765 1.00 1.90 O ATOM 331 OE2 GLU A 20 15.857 0.507 -6.141 1.00 1.83 O ATOM 0 H GLU A 20 12.314 -1.796 -3.709 1.00 0.43 H new ATOM 0 HA GLU A 20 14.185 -3.882 -3.516 1.00 0.53 H new ATOM 0 HB2 GLU A 20 15.497 -2.400 -5.008 1.00 0.62 H new ATOM 0 HB3 GLU A 20 13.817 -2.464 -5.504 1.00 0.62 H new ATOM 0 HG2 GLU A 20 13.404 -0.313 -4.295 1.00 0.77 H new ATOM 0 HG3 GLU A 20 15.103 -0.244 -3.873 1.00 0.77 H new ATOM 338 N ASP A 21 14.621 -1.561 -1.418 1.00 0.52 N ATOM 339 CA ASP A 21 15.442 -1.016 -0.358 1.00 0.60 C ATOM 340 C ASP A 21 15.390 -1.947 0.836 1.00 0.54 C ATOM 341 O ASP A 21 16.333 -2.033 1.620 1.00 0.59 O ATOM 342 CB ASP A 21 14.924 0.375 0.021 1.00 0.67 C ATOM 343 CG ASP A 21 16.014 1.324 0.470 1.00 0.97 C ATOM 344 OD1 ASP A 21 16.547 1.128 1.585 1.00 1.31 O ATOM 345 OD2 ASP A 21 16.357 2.243 -0.288 1.00 1.39 O ATOM 0 H ASP A 21 13.648 -1.254 -1.394 1.00 0.52 H new ATOM 0 HA ASP A 21 16.476 -0.925 -0.691 1.00 0.60 H new ATOM 0 HB2 ASP A 21 14.407 0.807 -0.836 1.00 0.67 H new ATOM 0 HB3 ASP A 21 14.189 0.275 0.819 1.00 0.67 H new ATOM 350 N HIS A 22 14.266 -2.666 0.946 1.00 0.45 N ATOM 351 CA HIS A 22 14.001 -3.575 2.062 1.00 0.45 C ATOM 352 C HIS A 22 13.909 -2.819 3.385 1.00 0.44 C ATOM 353 O HIS A 22 13.671 -3.411 4.436 1.00 0.51 O ATOM 354 CB HIS A 22 15.058 -4.678 2.137 1.00 0.57 C ATOM 355 CG HIS A 22 15.043 -5.600 0.952 1.00 0.64 C ATOM 356 ND1 HIS A 22 14.275 -6.742 0.901 1.00 0.65 N ATOM 357 CD2 HIS A 22 15.697 -5.539 -0.233 1.00 0.74 C ATOM 358 CE1 HIS A 22 14.457 -7.344 -0.258 1.00 0.76 C ATOM 359 NE2 HIS A 22 15.313 -6.635 -0.967 1.00 0.82 N ATOM 0 H HIS A 22 13.513 -2.632 0.259 1.00 0.45 H new ATOM 0 HA HIS A 22 13.035 -4.045 1.880 1.00 0.45 H new ATOM 0 HB2 HIS A 22 16.044 -4.221 2.220 1.00 0.57 H new ATOM 0 HB3 HIS A 22 14.900 -5.261 3.044 1.00 0.57 H new ATOM 0 HD1 HIS A 22 13.660 -7.071 1.645 1.00 0.65 H new ATOM 0 HD2 HIS A 22 16.391 -4.772 -0.543 1.00 0.74 H new ATOM 0 HE1 HIS A 22 13.985 -8.263 -0.573 1.00 0.76 H new ATOM 368 N GLU A 23 14.093 -1.507 3.316 1.00 0.47 N ATOM 369 CA GLU A 23 13.936 -0.636 4.465 1.00 0.52 C ATOM 370 C GLU A 23 12.529 -0.073 4.480 1.00 0.40 C ATOM 371 O GLU A 23 12.089 0.540 5.455 1.00 0.49 O ATOM 372 CB GLU A 23 14.953 0.497 4.397 1.00 0.69 C ATOM 373 CG GLU A 23 16.384 0.027 4.544 1.00 0.84 C ATOM 374 CD GLU A 23 16.623 -0.594 5.903 1.00 1.51 C ATOM 375 OE1 GLU A 23 16.619 0.136 6.916 1.00 1.72 O ATOM 376 OE2 GLU A 23 16.843 -1.822 5.961 1.00 2.28 O ATOM 0 H GLU A 23 14.356 -1.020 2.459 1.00 0.47 H new ATOM 0 HA GLU A 23 14.105 -1.205 5.379 1.00 0.52 H new ATOM 0 HB2 GLU A 23 14.845 1.016 3.445 1.00 0.69 H new ATOM 0 HB3 GLU A 23 14.733 1.221 5.182 1.00 0.69 H new ATOM 0 HG2 GLU A 23 16.612 -0.700 3.765 1.00 0.84 H new ATOM 0 HG3 GLU A 23 17.062 0.869 4.402 1.00 0.84 H new ATOM 383 N ALA A 24 11.840 -0.291 3.374 1.00 0.29 N ATOM 384 CA ALA A 24 10.474 0.149 3.210 1.00 0.22 C ATOM 385 C ALA A 24 9.597 -1.032 2.854 1.00 0.17 C ATOM 386 O ALA A 24 9.945 -1.831 1.979 1.00 0.19 O ATOM 387 CB ALA A 24 10.380 1.216 2.136 1.00 0.26 C ATOM 0 H ALA A 24 12.218 -0.781 2.563 1.00 0.29 H new ATOM 0 HA ALA A 24 10.129 0.581 4.150 1.00 0.22 H new ATOM 0 HB1 ALA A 24 9.343 1.534 2.028 1.00 0.26 H new ATOM 0 HB2 ALA A 24 10.994 2.071 2.418 1.00 0.26 H new ATOM 0 HB3 ALA A 24 10.736 0.811 1.189 1.00 0.26 H new ATOM 393 N PHE A 25 8.472 -1.141 3.528 1.00 0.14 N ATOM 394 CA PHE A 25 7.573 -2.253 3.318 1.00 0.15 C ATOM 395 C PHE A 25 6.163 -1.881 3.730 1.00 0.15 C ATOM 396 O PHE A 25 5.959 -0.957 4.521 1.00 0.17 O ATOM 397 CB PHE A 25 8.042 -3.490 4.101 1.00 0.23 C ATOM 398 CG PHE A 25 8.218 -3.263 5.581 1.00 0.30 C ATOM 399 CD1 PHE A 25 9.435 -2.836 6.089 1.00 0.37 C ATOM 400 CD2 PHE A 25 7.169 -3.482 6.462 1.00 0.39 C ATOM 401 CE1 PHE A 25 9.602 -2.631 7.446 1.00 0.47 C ATOM 402 CE2 PHE A 25 7.330 -3.279 7.819 1.00 0.49 C ATOM 403 CZ PHE A 25 8.548 -2.853 8.312 1.00 0.52 C ATOM 0 H PHE A 25 8.158 -0.469 4.229 1.00 0.14 H new ATOM 0 HA PHE A 25 7.577 -2.494 2.255 1.00 0.15 H new ATOM 0 HB2 PHE A 25 7.320 -4.293 3.953 1.00 0.23 H new ATOM 0 HB3 PHE A 25 8.989 -3.831 3.683 1.00 0.23 H new ATOM 0 HD1 PHE A 25 10.262 -2.661 5.417 1.00 0.37 H new ATOM 0 HD2 PHE A 25 6.215 -3.815 6.082 1.00 0.39 H new ATOM 0 HE1 PHE A 25 10.555 -2.298 7.829 1.00 0.47 H new ATOM 0 HE2 PHE A 25 6.505 -3.453 8.493 1.00 0.49 H new ATOM 0 HZ PHE A 25 8.676 -2.694 9.372 1.00 0.52 H new ATOM 413 N ILE A 26 5.203 -2.593 3.175 1.00 0.20 N ATOM 414 CA ILE A 26 3.815 -2.454 3.560 1.00 0.23 C ATOM 415 C ILE A 26 3.236 -3.825 3.837 1.00 0.23 C ATOM 416 O ILE A 26 3.359 -4.731 3.015 1.00 0.26 O ATOM 417 CB ILE A 26 2.978 -1.710 2.483 1.00 0.31 C ATOM 418 CG1 ILE A 26 2.585 -0.336 3.021 1.00 0.41 C ATOM 419 CG2 ILE A 26 1.734 -2.496 2.058 1.00 0.39 C ATOM 420 CD1 ILE A 26 1.570 0.386 2.172 1.00 0.73 C ATOM 0 H ILE A 26 5.365 -3.285 2.443 1.00 0.20 H new ATOM 0 HA ILE A 26 3.771 -1.846 4.463 1.00 0.23 H new ATOM 0 HB ILE A 26 3.595 -1.603 1.591 1.00 0.31 H new ATOM 0 HG12 ILE A 26 2.185 -0.452 4.028 1.00 0.41 H new ATOM 0 HG13 ILE A 26 3.480 0.281 3.103 1.00 0.41 H new ATOM 0 HG21 ILE A 26 1.186 -1.930 1.304 1.00 0.39 H new ATOM 0 HG22 ILE A 26 2.036 -3.457 1.642 1.00 0.39 H new ATOM 0 HG23 ILE A 26 1.094 -2.660 2.925 1.00 0.39 H new ATOM 0 HD11 ILE A 26 1.343 1.353 2.620 1.00 0.73 H new ATOM 0 HD12 ILE A 26 1.974 0.536 1.171 1.00 0.73 H new ATOM 0 HD13 ILE A 26 0.658 -0.208 2.110 1.00 0.73 H new ATOM 432 N GLU A 27 2.625 -3.977 4.997 1.00 0.22 N ATOM 433 CA GLU A 27 2.027 -5.242 5.368 1.00 0.23 C ATOM 434 C GLU A 27 0.555 -5.195 5.023 1.00 0.22 C ATOM 435 O GLU A 27 -0.040 -4.126 5.007 1.00 0.27 O ATOM 436 CB GLU A 27 2.221 -5.506 6.867 1.00 0.26 C ATOM 437 CG GLU A 27 1.653 -6.842 7.333 1.00 0.65 C ATOM 438 CD GLU A 27 1.818 -7.067 8.821 1.00 1.14 C ATOM 439 OE1 GLU A 27 2.936 -7.429 9.254 1.00 1.23 O ATOM 440 OE2 GLU A 27 0.838 -6.873 9.569 1.00 1.65 O ATOM 0 H GLU A 27 2.531 -3.240 5.696 1.00 0.22 H new ATOM 0 HA GLU A 27 2.507 -6.054 4.822 1.00 0.23 H new ATOM 0 HB2 GLU A 27 3.286 -5.474 7.098 1.00 0.26 H new ATOM 0 HB3 GLU A 27 1.748 -4.703 7.432 1.00 0.26 H new ATOM 0 HG2 GLU A 27 0.594 -6.889 7.079 1.00 0.65 H new ATOM 0 HG3 GLU A 27 2.147 -7.649 6.792 1.00 0.65 H new ATOM 447 N TYR A 28 -0.031 -6.327 4.707 1.00 0.23 N ATOM 448 CA TYR A 28 -1.448 -6.352 4.433 1.00 0.22 C ATOM 449 C TYR A 28 -2.014 -7.716 4.754 1.00 0.28 C ATOM 450 O TYR A 28 -1.334 -8.731 4.642 1.00 0.45 O ATOM 451 CB TYR A 28 -1.737 -5.968 2.973 1.00 0.29 C ATOM 452 CG TYR A 28 -1.443 -7.061 1.969 1.00 0.35 C ATOM 453 CD1 TYR A 28 -0.166 -7.226 1.445 1.00 0.40 C ATOM 454 CD2 TYR A 28 -2.439 -7.930 1.550 1.00 0.44 C ATOM 455 CE1 TYR A 28 0.107 -8.226 0.533 1.00 0.50 C ATOM 456 CE2 TYR A 28 -2.172 -8.934 0.640 1.00 0.56 C ATOM 457 CZ TYR A 28 -0.910 -9.059 0.111 1.00 0.60 C ATOM 458 OH TYR A 28 -0.630 -10.082 -0.767 1.00 0.70 O ATOM 0 H TYR A 28 0.442 -7.228 4.634 1.00 0.23 H new ATOM 0 HA TYR A 28 -1.935 -5.613 5.070 1.00 0.22 H new ATOM 0 HB2 TYR A 28 -2.786 -5.684 2.886 1.00 0.29 H new ATOM 0 HB3 TYR A 28 -1.146 -5.088 2.718 1.00 0.29 H new ATOM 0 HD1 TYR A 28 0.626 -6.561 1.757 1.00 0.40 H new ATOM 0 HD2 TYR A 28 -3.440 -7.820 1.942 1.00 0.44 H new ATOM 0 HE1 TYR A 28 1.109 -8.356 0.152 1.00 0.50 H new ATOM 0 HE2 TYR A 28 -2.953 -9.619 0.345 1.00 0.56 H new ATOM 0 HH TYR A 28 -0.909 -9.823 -1.670 1.00 0.70 H new ATOM 468 N LYS A 29 -3.255 -7.733 5.168 1.00 0.24 N ATOM 469 CA LYS A 29 -3.893 -8.965 5.554 1.00 0.32 C ATOM 470 C LYS A 29 -5.317 -8.997 5.034 1.00 0.25 C ATOM 471 O LYS A 29 -6.093 -8.062 5.233 1.00 0.31 O ATOM 472 CB LYS A 29 -3.832 -9.174 7.081 1.00 0.49 C ATOM 473 CG LYS A 29 -4.380 -8.029 7.940 1.00 0.58 C ATOM 474 CD LYS A 29 -3.518 -6.770 7.882 1.00 0.74 C ATOM 475 CE LYS A 29 -2.050 -7.038 8.193 1.00 1.09 C ATOM 476 NZ LYS A 29 -1.802 -7.300 9.632 1.00 1.52 N ATOM 0 H LYS A 29 -3.845 -6.905 5.247 1.00 0.24 H new ATOM 0 HA LYS A 29 -3.350 -9.796 5.103 1.00 0.32 H new ATOM 0 HB2 LYS A 29 -4.384 -10.081 7.326 1.00 0.49 H new ATOM 0 HB3 LYS A 29 -2.793 -9.348 7.362 1.00 0.49 H new ATOM 0 HG2 LYS A 29 -5.390 -7.786 7.609 1.00 0.58 H new ATOM 0 HG3 LYS A 29 -4.455 -8.363 8.975 1.00 0.58 H new ATOM 0 HD2 LYS A 29 -3.598 -6.327 6.889 1.00 0.74 H new ATOM 0 HD3 LYS A 29 -3.906 -6.038 8.590 1.00 0.74 H new ATOM 0 HE2 LYS A 29 -1.711 -7.894 7.610 1.00 1.09 H new ATOM 0 HE3 LYS A 29 -1.455 -6.181 7.877 1.00 1.09 H new ATOM 0 HZ1 LYS A 29 -0.786 -7.207 9.832 1.00 1.52 H new ATOM 0 HZ2 LYS A 29 -2.332 -6.614 10.206 1.00 1.52 H new ATOM 0 HZ3 LYS A 29 -2.114 -8.264 9.868 1.00 1.52 H new ATOM 490 N MET A 30 -5.632 -10.063 4.323 1.00 0.32 N ATOM 491 CA MET A 30 -6.939 -10.215 3.719 1.00 0.27 C ATOM 492 C MET A 30 -7.946 -10.656 4.773 1.00 0.30 C ATOM 493 O MET A 30 -7.936 -11.797 5.228 1.00 0.39 O ATOM 494 CB MET A 30 -6.874 -11.221 2.568 1.00 0.36 C ATOM 495 CG MET A 30 -5.892 -10.833 1.473 1.00 1.00 C ATOM 496 SD MET A 30 -5.870 -12.007 0.103 1.00 1.12 S ATOM 497 CE MET A 30 -5.335 -13.498 0.941 1.00 1.85 C ATOM 0 H MET A 30 -4.995 -10.840 4.150 1.00 0.32 H new ATOM 0 HA MET A 30 -7.262 -9.257 3.313 1.00 0.27 H new ATOM 0 HB2 MET A 30 -6.595 -12.197 2.965 1.00 0.36 H new ATOM 0 HB3 MET A 30 -7.868 -11.326 2.132 1.00 0.36 H new ATOM 0 HG2 MET A 30 -6.150 -9.844 1.094 1.00 1.00 H new ATOM 0 HG3 MET A 30 -4.891 -10.760 1.898 1.00 1.00 H new ATOM 0 HE1 MET A 30 -4.968 -14.216 0.207 1.00 1.85 H new ATOM 0 HE2 MET A 30 -4.536 -13.255 1.642 1.00 1.85 H new ATOM 0 HE3 MET A 30 -6.175 -13.931 1.484 1.00 1.85 H new ATOM 507 N ARG A 31 -8.798 -9.728 5.151 1.00 0.29 N ATOM 508 CA ARG A 31 -9.764 -9.929 6.210 1.00 0.39 C ATOM 509 C ARG A 31 -11.090 -10.375 5.630 1.00 0.42 C ATOM 510 O ARG A 31 -11.296 -10.300 4.416 1.00 0.38 O ATOM 511 CB ARG A 31 -9.948 -8.625 6.986 1.00 0.46 C ATOM 512 CG ARG A 31 -8.695 -8.176 7.722 1.00 0.67 C ATOM 513 CD ARG A 31 -8.846 -6.776 8.293 1.00 0.66 C ATOM 514 NE ARG A 31 -9.893 -6.697 9.309 1.00 0.98 N ATOM 515 CZ ARG A 31 -10.077 -5.642 10.103 1.00 1.28 C ATOM 516 NH1 ARG A 31 -9.260 -4.594 10.032 1.00 1.41 N ATOM 517 NH2 ARG A 31 -11.079 -5.637 10.974 1.00 2.03 N ATOM 0 H ARG A 31 -8.840 -8.801 4.727 1.00 0.29 H new ATOM 0 HA ARG A 31 -9.399 -10.704 6.884 1.00 0.39 H new ATOM 0 HB2 ARG A 31 -10.255 -7.840 6.295 1.00 0.46 H new ATOM 0 HB3 ARG A 31 -10.757 -8.750 7.705 1.00 0.46 H new ATOM 0 HG2 ARG A 31 -8.477 -8.876 8.529 1.00 0.67 H new ATOM 0 HG3 ARG A 31 -7.845 -8.201 7.040 1.00 0.67 H new ATOM 0 HD2 ARG A 31 -7.898 -6.460 8.728 1.00 0.66 H new ATOM 0 HD3 ARG A 31 -9.074 -6.080 7.486 1.00 0.66 H new ATOM 0 HE ARG A 31 -10.519 -7.495 9.417 1.00 0.98 H new ATOM 0 HH11 ARG A 31 -8.487 -4.594 9.367 1.00 1.41 H new ATOM 0 HH12 ARG A 31 -9.407 -3.790 10.643 1.00 1.41 H new ATOM 0 HH21 ARG A 31 -11.706 -6.439 11.035 1.00 2.03 H new ATOM 0 HH22 ARG A 31 -11.222 -4.831 11.583 1.00 2.03 H new ATOM 531 N ASN A 32 -11.978 -10.838 6.502 1.00 0.55 N ATOM 532 CA ASN A 32 -13.305 -11.297 6.101 1.00 0.64 C ATOM 533 C ASN A 32 -13.181 -12.408 5.063 1.00 0.65 C ATOM 534 O ASN A 32 -13.599 -12.252 3.918 1.00 0.66 O ATOM 535 CB ASN A 32 -14.131 -10.132 5.541 1.00 0.64 C ATOM 536 CG ASN A 32 -15.622 -10.425 5.497 1.00 0.77 C ATOM 537 OD1 ASN A 32 -16.048 -11.572 5.334 1.00 1.15 O ATOM 538 ND2 ASN A 32 -16.428 -9.386 5.650 1.00 0.99 N ATOM 0 H ASN A 32 -11.801 -10.906 7.504 1.00 0.55 H new ATOM 0 HA ASN A 32 -13.819 -11.690 6.978 1.00 0.64 H new ATOM 0 HB2 ASN A 32 -13.959 -9.246 6.152 1.00 0.64 H new ATOM 0 HB3 ASN A 32 -13.783 -9.898 4.535 1.00 0.64 H new ATOM 0 HD21 ASN A 32 -17.439 -9.519 5.636 1.00 0.99 H new ATOM 0 HD22 ASN A 32 -16.038 -8.453 5.782 1.00 0.99 H new ATOM 545 N ASN A 33 -12.552 -13.511 5.467 1.00 0.73 N ATOM 546 CA ASN A 33 -12.315 -14.661 4.586 1.00 0.83 C ATOM 547 C ASN A 33 -11.360 -14.303 3.453 1.00 0.78 C ATOM 548 O ASN A 33 -11.179 -15.074 2.512 1.00 1.04 O ATOM 549 CB ASN A 33 -13.626 -15.214 4.008 1.00 0.95 C ATOM 550 CG ASN A 33 -14.534 -15.800 5.068 1.00 1.62 C ATOM 551 OD1 ASN A 33 -14.429 -16.981 5.406 1.00 1.82 O ATOM 552 ND2 ASN A 33 -15.436 -14.986 5.592 1.00 2.33 N ATOM 0 H ASN A 33 -12.191 -13.636 6.413 1.00 0.73 H new ATOM 0 HA ASN A 33 -11.857 -15.437 5.199 1.00 0.83 H new ATOM 0 HB2 ASN A 33 -14.153 -14.415 3.486 1.00 0.95 H new ATOM 0 HB3 ASN A 33 -13.397 -15.981 3.268 1.00 0.95 H new ATOM 0 HD21 ASN A 33 -16.079 -15.329 6.305 1.00 2.33 H new ATOM 0 HD22 ASN A 33 -15.488 -14.015 5.283 1.00 2.33 H new ATOM 559 N GLY A 34 -10.736 -13.140 3.556 1.00 0.55 N ATOM 560 CA GLY A 34 -9.789 -12.717 2.549 1.00 0.52 C ATOM 561 C GLY A 34 -10.427 -11.885 1.459 1.00 0.48 C ATOM 562 O GLY A 34 -9.882 -11.768 0.363 1.00 0.62 O ATOM 0 H GLY A 34 -10.870 -12.480 4.322 1.00 0.55 H new ATOM 0 HA2 GLY A 34 -8.995 -12.140 3.023 1.00 0.52 H new ATOM 0 HA3 GLY A 34 -9.322 -13.596 2.103 1.00 0.52 H new ATOM 566 N LYS A 35 -11.576 -11.298 1.754 1.00 0.40 N ATOM 567 CA LYS A 35 -12.299 -10.516 0.761 1.00 0.40 C ATOM 568 C LYS A 35 -11.961 -9.033 0.877 1.00 0.28 C ATOM 569 O LYS A 35 -12.264 -8.247 -0.024 1.00 0.28 O ATOM 570 CB LYS A 35 -13.807 -10.735 0.905 1.00 0.52 C ATOM 571 CG LYS A 35 -14.201 -12.206 0.938 1.00 0.67 C ATOM 572 CD LYS A 35 -13.636 -12.963 -0.255 1.00 0.85 C ATOM 573 CE LYS A 35 -13.761 -14.468 -0.081 1.00 1.14 C ATOM 574 NZ LYS A 35 -15.175 -14.904 0.051 1.00 1.60 N ATOM 0 H LYS A 35 -12.027 -11.347 2.668 1.00 0.40 H new ATOM 0 HA LYS A 35 -11.989 -10.855 -0.228 1.00 0.40 H new ATOM 0 HB2 LYS A 35 -14.152 -10.253 1.820 1.00 0.52 H new ATOM 0 HB3 LYS A 35 -14.319 -10.247 0.075 1.00 0.52 H new ATOM 0 HG2 LYS A 35 -13.841 -12.659 1.861 1.00 0.67 H new ATOM 0 HG3 LYS A 35 -15.288 -12.292 0.943 1.00 0.67 H new ATOM 0 HD2 LYS A 35 -14.160 -12.657 -1.160 1.00 0.85 H new ATOM 0 HD3 LYS A 35 -12.587 -12.699 -0.389 1.00 0.85 H new ATOM 0 HE2 LYS A 35 -13.307 -14.969 -0.936 1.00 1.14 H new ATOM 0 HE3 LYS A 35 -13.204 -14.777 0.803 1.00 1.14 H new ATOM 0 HZ1 LYS A 35 -15.215 -15.942 0.099 1.00 1.60 H new ATOM 0 HZ2 LYS A 35 -15.583 -14.501 0.919 1.00 1.60 H new ATOM 0 HZ3 LYS A 35 -15.718 -14.575 -0.772 1.00 1.60 H new ATOM 588 N VAL A 36 -11.339 -8.651 1.987 1.00 0.25 N ATOM 589 CA VAL A 36 -10.903 -7.276 2.175 1.00 0.19 C ATOM 590 C VAL A 36 -9.422 -7.230 2.529 1.00 0.16 C ATOM 591 O VAL A 36 -9.000 -7.823 3.507 1.00 0.22 O ATOM 592 CB VAL A 36 -11.725 -6.579 3.286 1.00 0.24 C ATOM 593 CG1 VAL A 36 -11.157 -5.203 3.599 1.00 0.31 C ATOM 594 CG2 VAL A 36 -13.185 -6.464 2.873 1.00 0.30 C ATOM 0 H VAL A 36 -11.127 -9.273 2.767 1.00 0.25 H new ATOM 0 HA VAL A 36 -11.065 -6.745 1.237 1.00 0.19 H new ATOM 0 HB VAL A 36 -11.662 -7.189 4.187 1.00 0.24 H new ATOM 0 HG11 VAL A 36 -11.752 -4.734 4.383 1.00 0.31 H new ATOM 0 HG12 VAL A 36 -10.126 -5.303 3.937 1.00 0.31 H new ATOM 0 HG13 VAL A 36 -11.186 -4.585 2.702 1.00 0.31 H new ATOM 0 HG21 VAL A 36 -13.749 -5.972 3.665 1.00 0.30 H new ATOM 0 HG22 VAL A 36 -13.259 -5.878 1.957 1.00 0.30 H new ATOM 0 HG23 VAL A 36 -13.594 -7.460 2.701 1.00 0.30 H new ATOM 604 N MET A 37 -8.635 -6.518 1.746 1.00 0.15 N ATOM 605 CA MET A 37 -7.214 -6.394 2.020 1.00 0.18 C ATOM 606 C MET A 37 -6.950 -5.205 2.912 1.00 0.16 C ATOM 607 O MET A 37 -7.141 -4.060 2.516 1.00 0.17 O ATOM 608 CB MET A 37 -6.395 -6.269 0.731 1.00 0.24 C ATOM 609 CG MET A 37 -6.275 -7.566 -0.049 1.00 0.51 C ATOM 610 SD MET A 37 -5.058 -7.465 -1.381 1.00 1.03 S ATOM 611 CE MET A 37 -5.168 -9.114 -2.069 1.00 1.66 C ATOM 0 H MET A 37 -8.953 -6.017 0.916 1.00 0.15 H new ATOM 0 HA MET A 37 -6.901 -7.305 2.530 1.00 0.18 H new ATOM 0 HB2 MET A 37 -6.853 -5.514 0.093 1.00 0.24 H new ATOM 0 HB3 MET A 37 -5.396 -5.912 0.980 1.00 0.24 H new ATOM 0 HG2 MET A 37 -5.997 -8.371 0.632 1.00 0.51 H new ATOM 0 HG3 MET A 37 -7.247 -7.825 -0.469 1.00 0.51 H new ATOM 0 HE1 MET A 37 -5.184 -9.054 -3.157 1.00 1.66 H new ATOM 0 HE2 MET A 37 -4.306 -9.699 -1.750 1.00 1.66 H new ATOM 0 HE3 MET A 37 -6.082 -9.594 -1.719 1.00 1.66 H new ATOM 621 N ASP A 38 -6.527 -5.486 4.124 1.00 0.17 N ATOM 622 CA ASP A 38 -6.195 -4.444 5.071 1.00 0.18 C ATOM 623 C ASP A 38 -4.735 -4.071 4.909 1.00 0.18 C ATOM 624 O ASP A 38 -3.846 -4.843 5.265 1.00 0.20 O ATOM 625 CB ASP A 38 -6.470 -4.940 6.486 1.00 0.24 C ATOM 626 CG ASP A 38 -6.450 -3.846 7.543 1.00 0.32 C ATOM 627 OD1 ASP A 38 -5.881 -2.763 7.303 1.00 0.81 O ATOM 628 OD2 ASP A 38 -7.003 -4.087 8.641 1.00 0.97 O ATOM 0 H ASP A 38 -6.404 -6.434 4.479 1.00 0.17 H new ATOM 0 HA ASP A 38 -6.806 -3.561 4.887 1.00 0.18 H new ATOM 0 HB2 ASP A 38 -7.443 -5.431 6.505 1.00 0.24 H new ATOM 0 HB3 ASP A 38 -5.728 -5.695 6.746 1.00 0.24 H new ATOM 633 N LEU A 39 -4.506 -2.904 4.342 1.00 0.18 N ATOM 634 CA LEU A 39 -3.161 -2.409 4.115 1.00 0.19 C ATOM 635 C LEU A 39 -2.643 -1.785 5.390 1.00 0.20 C ATOM 636 O LEU A 39 -3.024 -0.678 5.754 1.00 0.28 O ATOM 637 CB LEU A 39 -3.140 -1.396 2.960 1.00 0.20 C ATOM 638 CG LEU A 39 -3.168 -1.988 1.548 1.00 0.19 C ATOM 639 CD1 LEU A 39 -4.264 -3.028 1.394 1.00 0.18 C ATOM 640 CD2 LEU A 39 -3.345 -0.879 0.522 1.00 0.22 C ATOM 0 H LEU A 39 -5.243 -2.273 4.026 1.00 0.18 H new ATOM 0 HA LEU A 39 -2.513 -3.239 3.833 1.00 0.19 H new ATOM 0 HB2 LEU A 39 -3.996 -0.731 3.071 1.00 0.20 H new ATOM 0 HB3 LEU A 39 -2.245 -0.782 3.058 1.00 0.20 H new ATOM 0 HG LEU A 39 -2.215 -2.489 1.378 1.00 0.19 H new ATOM 0 HD11 LEU A 39 -4.250 -3.423 0.378 1.00 0.18 H new ATOM 0 HD12 LEU A 39 -4.097 -3.840 2.102 1.00 0.18 H new ATOM 0 HD13 LEU A 39 -5.232 -2.568 1.591 1.00 0.18 H new ATOM 0 HD21 LEU A 39 -3.364 -1.309 -0.479 1.00 0.22 H new ATOM 0 HD22 LEU A 39 -4.283 -0.356 0.710 1.00 0.22 H new ATOM 0 HD23 LEU A 39 -2.516 -0.176 0.599 1.00 0.22 H new ATOM 652 N VAL A 40 -1.784 -2.508 6.065 1.00 0.17 N ATOM 653 CA VAL A 40 -1.328 -2.128 7.380 1.00 0.20 C ATOM 654 C VAL A 40 0.149 -1.752 7.367 1.00 0.18 C ATOM 655 O VAL A 40 1.003 -2.565 7.022 1.00 0.23 O ATOM 656 CB VAL A 40 -1.570 -3.277 8.386 1.00 0.29 C ATOM 657 CG1 VAL A 40 -0.764 -3.083 9.657 1.00 0.84 C ATOM 658 CG2 VAL A 40 -3.049 -3.382 8.712 1.00 0.88 C ATOM 0 H VAL A 40 -1.380 -3.378 5.718 1.00 0.17 H new ATOM 0 HA VAL A 40 -1.900 -1.253 7.690 1.00 0.20 H new ATOM 0 HB VAL A 40 -1.238 -4.205 7.921 1.00 0.29 H new ATOM 0 HG11 VAL A 40 -0.959 -3.909 10.341 1.00 0.84 H new ATOM 0 HG12 VAL A 40 0.298 -3.056 9.414 1.00 0.84 H new ATOM 0 HG13 VAL A 40 -1.052 -2.144 10.131 1.00 0.84 H new ATOM 0 HG21 VAL A 40 -3.208 -4.194 9.421 1.00 0.88 H new ATOM 0 HG22 VAL A 40 -3.392 -2.445 9.150 1.00 0.88 H new ATOM 0 HG23 VAL A 40 -3.610 -3.582 7.799 1.00 0.88 H new ATOM 668 N HIS A 41 0.426 -0.499 7.710 1.00 0.16 N ATOM 669 CA HIS A 41 1.788 -0.037 7.978 1.00 0.17 C ATOM 670 C HIS A 41 2.573 0.221 6.703 1.00 0.14 C ATOM 671 O HIS A 41 3.107 -0.697 6.087 1.00 0.17 O ATOM 672 CB HIS A 41 2.542 -1.042 8.866 1.00 0.22 C ATOM 673 CG HIS A 41 3.829 -0.539 9.464 1.00 0.42 C ATOM 674 ND1 HIS A 41 4.509 -1.237 10.436 1.00 0.98 N ATOM 675 CD2 HIS A 41 4.559 0.586 9.239 1.00 0.56 C ATOM 676 CE1 HIS A 41 5.590 -0.571 10.786 1.00 1.03 C ATOM 677 NE2 HIS A 41 5.646 0.540 10.076 1.00 0.67 N ATOM 0 H HIS A 41 -0.284 0.226 7.811 1.00 0.16 H new ATOM 0 HA HIS A 41 1.698 0.912 8.507 1.00 0.17 H new ATOM 0 HB2 HIS A 41 1.882 -1.352 9.676 1.00 0.22 H new ATOM 0 HB3 HIS A 41 2.759 -1.931 8.275 1.00 0.22 H new ATOM 0 HD2 HIS A 41 4.327 1.370 8.533 1.00 0.56 H new ATOM 0 HE1 HIS A 41 6.310 -0.882 11.529 1.00 1.03 H new ATOM 0 HE2 HIS A 41 6.377 1.248 10.139 1.00 0.67 H new ATOM 686 N THR A 42 2.631 1.484 6.320 1.00 0.16 N ATOM 687 CA THR A 42 3.544 1.920 5.286 1.00 0.16 C ATOM 688 C THR A 42 4.808 2.439 5.956 1.00 0.20 C ATOM 689 O THR A 42 4.739 3.164 6.955 1.00 0.31 O ATOM 690 CB THR A 42 2.941 3.034 4.392 1.00 0.20 C ATOM 691 OG1 THR A 42 3.884 3.432 3.394 1.00 0.22 O ATOM 692 CG2 THR A 42 2.537 4.240 5.226 1.00 0.31 C ATOM 0 H THR A 42 2.053 2.226 6.713 1.00 0.16 H new ATOM 0 HA THR A 42 3.756 1.070 4.638 1.00 0.16 H new ATOM 0 HB THR A 42 2.051 2.633 3.907 1.00 0.20 H new ATOM 0 HG1 THR A 42 3.503 3.278 2.504 1.00 0.22 H new ATOM 0 HG21 THR A 42 2.117 5.008 4.576 1.00 0.31 H new ATOM 0 HG22 THR A 42 1.791 3.940 5.962 1.00 0.31 H new ATOM 0 HG23 THR A 42 3.413 4.638 5.738 1.00 0.31 H new ATOM 700 N TYR A 43 5.957 2.028 5.467 1.00 0.22 N ATOM 701 CA TYR A 43 7.197 2.562 5.978 1.00 0.29 C ATOM 702 C TYR A 43 8.182 2.764 4.848 1.00 0.27 C ATOM 703 O TYR A 43 8.139 2.049 3.854 1.00 0.37 O ATOM 704 CB TYR A 43 7.791 1.655 7.055 1.00 0.45 C ATOM 705 CG TYR A 43 8.706 2.408 7.986 1.00 0.74 C ATOM 706 CD1 TYR A 43 8.241 3.524 8.666 1.00 1.15 C ATOM 707 CD2 TYR A 43 10.025 2.023 8.179 1.00 0.94 C ATOM 708 CE1 TYR A 43 9.059 4.237 9.513 1.00 1.53 C ATOM 709 CE2 TYR A 43 10.855 2.731 9.029 1.00 1.34 C ATOM 710 CZ TYR A 43 10.366 3.840 9.695 1.00 1.58 C ATOM 711 OH TYR A 43 11.184 4.550 10.543 1.00 2.02 O ATOM 0 H TYR A 43 6.058 1.335 4.726 1.00 0.22 H new ATOM 0 HA TYR A 43 6.987 3.527 6.439 1.00 0.29 H new ATOM 0 HB2 TYR A 43 6.985 1.199 7.630 1.00 0.45 H new ATOM 0 HB3 TYR A 43 8.344 0.844 6.581 1.00 0.45 H new ATOM 0 HD1 TYR A 43 7.217 3.840 8.528 1.00 1.15 H new ATOM 0 HD2 TYR A 43 10.409 1.158 7.658 1.00 0.94 H new ATOM 0 HE1 TYR A 43 8.678 5.104 10.033 1.00 1.53 H new ATOM 0 HE2 TYR A 43 11.879 2.420 9.172 1.00 1.34 H new ATOM 0 HH TYR A 43 12.073 4.139 10.560 1.00 2.02 H new ATOM 721 N VAL A 44 9.054 3.745 5.007 1.00 0.25 N ATOM 722 CA VAL A 44 10.041 4.080 3.989 1.00 0.28 C ATOM 723 C VAL A 44 11.259 4.750 4.640 1.00 0.34 C ATOM 724 O VAL A 44 11.109 5.558 5.560 1.00 0.36 O ATOM 725 CB VAL A 44 9.423 5.007 2.909 1.00 0.33 C ATOM 726 CG1 VAL A 44 8.925 6.312 3.509 1.00 0.71 C ATOM 727 CG2 VAL A 44 10.411 5.275 1.789 1.00 0.60 C ATOM 0 H VAL A 44 9.100 4.331 5.841 1.00 0.25 H new ATOM 0 HA VAL A 44 10.364 3.160 3.501 1.00 0.28 H new ATOM 0 HB VAL A 44 8.563 4.486 2.489 1.00 0.33 H new ATOM 0 HG11 VAL A 44 8.499 6.935 2.722 1.00 0.71 H new ATOM 0 HG12 VAL A 44 8.162 6.100 4.258 1.00 0.71 H new ATOM 0 HG13 VAL A 44 9.757 6.838 3.978 1.00 0.71 H new ATOM 0 HG21 VAL A 44 9.951 5.927 1.046 1.00 0.60 H new ATOM 0 HG22 VAL A 44 11.300 5.758 2.196 1.00 0.60 H new ATOM 0 HG23 VAL A 44 10.693 4.333 1.319 1.00 0.60 H new ATOM 737 N PRO A 45 12.482 4.394 4.207 1.00 0.41 N ATOM 738 CA PRO A 45 13.716 4.978 4.751 1.00 0.48 C ATOM 739 C PRO A 45 13.913 6.430 4.324 1.00 0.51 C ATOM 740 O PRO A 45 13.203 6.932 3.449 1.00 0.50 O ATOM 741 CB PRO A 45 14.814 4.102 4.150 1.00 0.61 C ATOM 742 CG PRO A 45 14.226 3.586 2.886 1.00 0.79 C ATOM 743 CD PRO A 45 12.766 3.383 3.174 1.00 0.48 C ATOM 0 HA PRO A 45 13.708 4.998 5.841 1.00 0.48 H new ATOM 0 HB2 PRO A 45 15.721 4.676 3.961 1.00 0.61 H new ATOM 0 HB3 PRO A 45 15.086 3.289 4.823 1.00 0.61 H new ATOM 0 HG2 PRO A 45 14.370 4.293 2.069 1.00 0.79 H new ATOM 0 HG3 PRO A 45 14.700 2.652 2.586 1.00 0.79 H new ATOM 0 HD2 PRO A 45 12.155 3.534 2.284 1.00 0.48 H new ATOM 0 HD3 PRO A 45 12.563 2.374 3.532 1.00 0.48 H new ATOM 751 N SER A 46 14.909 7.085 4.909 1.00 0.63 N ATOM 752 CA SER A 46 15.182 8.493 4.643 1.00 0.77 C ATOM 753 C SER A 46 15.600 8.722 3.188 1.00 0.80 C ATOM 754 O SER A 46 15.621 9.858 2.712 1.00 0.94 O ATOM 755 CB SER A 46 16.271 8.996 5.590 1.00 0.91 C ATOM 756 OG SER A 46 15.930 8.731 6.943 1.00 1.39 O ATOM 0 H SER A 46 15.548 6.657 5.579 1.00 0.63 H new ATOM 0 HA SER A 46 14.263 9.053 4.814 1.00 0.77 H new ATOM 0 HB2 SER A 46 17.219 8.514 5.349 1.00 0.91 H new ATOM 0 HB3 SER A 46 16.413 10.068 5.450 1.00 0.91 H new ATOM 0 HG SER A 46 16.642 9.060 7.530 1.00 1.39 H new ATOM 762 N PHE A 47 15.919 7.641 2.490 1.00 0.75 N ATOM 763 CA PHE A 47 16.312 7.711 1.089 1.00 0.80 C ATOM 764 C PHE A 47 15.134 8.114 0.204 1.00 0.73 C ATOM 765 O PHE A 47 15.303 8.819 -0.789 1.00 0.82 O ATOM 766 CB PHE A 47 16.848 6.358 0.624 1.00 0.83 C ATOM 767 CG PHE A 47 18.069 5.894 1.365 1.00 1.39 C ATOM 768 CD1 PHE A 47 19.328 6.344 1.000 1.00 1.61 C ATOM 769 CD2 PHE A 47 17.958 5.008 2.422 1.00 2.13 C ATOM 770 CE1 PHE A 47 20.453 5.916 1.678 1.00 2.39 C ATOM 771 CE2 PHE A 47 19.079 4.576 3.103 1.00 3.04 C ATOM 772 CZ PHE A 47 20.328 5.032 2.731 1.00 3.12 C ATOM 0 H PHE A 47 15.913 6.697 2.875 1.00 0.75 H new ATOM 0 HA PHE A 47 17.092 8.468 1.001 1.00 0.80 H new ATOM 0 HB2 PHE A 47 16.063 5.610 0.736 1.00 0.83 H new ATOM 0 HB3 PHE A 47 17.082 6.418 -0.439 1.00 0.83 H new ATOM 0 HD1 PHE A 47 19.431 7.036 0.177 1.00 1.61 H new ATOM 0 HD2 PHE A 47 16.983 4.650 2.718 1.00 2.13 H new ATOM 0 HE1 PHE A 47 21.429 6.273 1.385 1.00 2.39 H new ATOM 0 HE2 PHE A 47 18.979 3.883 3.925 1.00 3.04 H new ATOM 0 HZ PHE A 47 21.206 4.698 3.263 1.00 3.12 H new ATOM 782 N LYS A 48 13.941 7.663 0.577 1.00 0.61 N ATOM 783 CA LYS A 48 12.748 7.883 -0.235 1.00 0.60 C ATOM 784 C LYS A 48 11.574 8.336 0.629 1.00 0.64 C ATOM 785 O LYS A 48 10.411 8.214 0.232 1.00 0.78 O ATOM 786 CB LYS A 48 12.380 6.596 -0.984 1.00 0.55 C ATOM 787 CG LYS A 48 13.268 6.293 -2.184 1.00 0.76 C ATOM 788 CD LYS A 48 13.030 4.882 -2.704 1.00 0.81 C ATOM 789 CE LYS A 48 13.733 3.843 -1.840 1.00 0.97 C ATOM 790 NZ LYS A 48 15.182 3.741 -2.169 1.00 1.19 N ATOM 0 H LYS A 48 13.774 7.142 1.438 1.00 0.61 H new ATOM 0 HA LYS A 48 12.966 8.671 -0.956 1.00 0.60 H new ATOM 0 HB2 LYS A 48 12.430 5.758 -0.289 1.00 0.55 H new ATOM 0 HB3 LYS A 48 11.346 6.669 -1.321 1.00 0.55 H new ATOM 0 HG2 LYS A 48 13.070 7.014 -2.977 1.00 0.76 H new ATOM 0 HG3 LYS A 48 14.315 6.408 -1.903 1.00 0.76 H new ATOM 0 HD2 LYS A 48 11.960 4.676 -2.724 1.00 0.81 H new ATOM 0 HD3 LYS A 48 13.389 4.806 -3.731 1.00 0.81 H new ATOM 0 HE2 LYS A 48 13.616 4.105 -0.788 1.00 0.97 H new ATOM 0 HE3 LYS A 48 13.259 2.872 -1.981 1.00 0.97 H new ATOM 0 HZ1 LYS A 48 15.677 3.241 -1.403 1.00 1.19 H new ATOM 0 HZ2 LYS A 48 15.300 3.215 -3.059 1.00 1.19 H new ATOM 0 HZ3 LYS A 48 15.582 4.695 -2.275 1.00 1.19 H new ATOM 804 N ARG A 49 11.883 8.870 1.804 1.00 0.73 N ATOM 805 CA ARG A 49 10.858 9.316 2.740 1.00 0.84 C ATOM 806 C ARG A 49 10.065 10.485 2.164 1.00 0.91 C ATOM 807 O ARG A 49 10.623 11.539 1.856 1.00 1.75 O ATOM 808 CB ARG A 49 11.480 9.704 4.088 1.00 1.03 C ATOM 809 CG ARG A 49 12.572 10.757 3.991 1.00 1.35 C ATOM 810 CD ARG A 49 13.006 11.242 5.366 1.00 1.45 C ATOM 811 NE ARG A 49 11.903 11.853 6.107 1.00 1.92 N ATOM 812 CZ ARG A 49 12.057 12.703 7.122 1.00 2.48 C ATOM 813 NH1 ARG A 49 13.275 13.062 7.522 1.00 2.70 N ATOM 814 NH2 ARG A 49 10.988 13.199 7.731 1.00 3.23 N ATOM 0 H ARG A 49 12.839 9.005 2.133 1.00 0.73 H new ATOM 0 HA ARG A 49 10.172 8.485 2.904 1.00 0.84 H new ATOM 0 HB2 ARG A 49 10.693 10.073 4.746 1.00 1.03 H new ATOM 0 HB3 ARG A 49 11.893 8.810 4.555 1.00 1.03 H new ATOM 0 HG2 ARG A 49 13.431 10.344 3.463 1.00 1.35 H new ATOM 0 HG3 ARG A 49 12.213 11.602 3.403 1.00 1.35 H new ATOM 0 HD2 ARG A 49 13.405 10.403 5.937 1.00 1.45 H new ATOM 0 HD3 ARG A 49 13.814 11.966 5.256 1.00 1.45 H new ATOM 0 HE ARG A 49 10.952 11.612 5.828 1.00 1.92 H new ATOM 0 HH11 ARG A 49 14.098 12.686 7.051 1.00 2.70 H new ATOM 0 HH12 ARG A 49 13.385 13.713 8.299 1.00 2.70 H new ATOM 0 HH21 ARG A 49 10.054 12.929 7.422 1.00 3.23 H new ATOM 0 HH22 ARG A 49 11.100 13.850 8.508 1.00 3.23 H new ATOM 828 N GLY A 50 8.766 10.272 1.991 1.00 1.00 N ATOM 829 CA GLY A 50 7.896 11.305 1.458 1.00 1.07 C ATOM 830 C GLY A 50 8.152 11.593 -0.002 1.00 0.98 C ATOM 831 O GLY A 50 7.661 12.585 -0.541 1.00 1.12 O ATOM 0 H GLY A 50 8.296 9.394 2.212 1.00 1.00 H new ATOM 0 HA2 GLY A 50 6.857 11.000 1.586 1.00 1.07 H new ATOM 0 HA3 GLY A 50 8.033 12.221 2.033 1.00 1.07 H new ATOM 835 N LEU A 51 8.910 10.720 -0.645 1.00 0.81 N ATOM 836 CA LEU A 51 9.202 10.858 -2.058 1.00 0.81 C ATOM 837 C LEU A 51 8.046 10.298 -2.874 1.00 0.71 C ATOM 838 O LEU A 51 7.757 10.771 -3.973 1.00 0.88 O ATOM 839 CB LEU A 51 10.516 10.130 -2.382 1.00 0.82 C ATOM 840 CG LEU A 51 10.979 10.174 -3.840 1.00 1.11 C ATOM 841 CD1 LEU A 51 12.492 10.048 -3.912 1.00 1.46 C ATOM 842 CD2 LEU A 51 10.327 9.057 -4.638 1.00 1.95 C ATOM 0 H LEU A 51 9.336 9.904 -0.205 1.00 0.81 H new ATOM 0 HA LEU A 51 9.321 11.911 -2.314 1.00 0.81 H new ATOM 0 HB2 LEU A 51 11.304 10.556 -1.761 1.00 0.82 H new ATOM 0 HB3 LEU A 51 10.409 9.086 -2.089 1.00 0.82 H new ATOM 0 HG LEU A 51 10.681 11.130 -4.270 1.00 1.11 H new ATOM 0 HD11 LEU A 51 12.811 10.080 -4.954 1.00 1.46 H new ATOM 0 HD12 LEU A 51 12.952 10.872 -3.366 1.00 1.46 H new ATOM 0 HD13 LEU A 51 12.800 9.101 -3.468 1.00 1.46 H new ATOM 0 HD21 LEU A 51 10.667 9.103 -5.673 1.00 1.95 H new ATOM 0 HD22 LEU A 51 10.602 8.094 -4.208 1.00 1.95 H new ATOM 0 HD23 LEU A 51 9.244 9.172 -4.607 1.00 1.95 H new ATOM 854 N GLY A 52 7.375 9.294 -2.322 1.00 0.52 N ATOM 855 CA GLY A 52 6.313 8.642 -3.054 1.00 0.43 C ATOM 856 C GLY A 52 6.306 7.141 -2.862 1.00 0.32 C ATOM 857 O GLY A 52 5.264 6.498 -2.991 1.00 0.28 O ATOM 0 H GLY A 52 7.548 8.924 -1.387 1.00 0.52 H new ATOM 0 HA2 GLY A 52 5.354 9.049 -2.734 1.00 0.43 H new ATOM 0 HA3 GLY A 52 6.417 8.868 -4.115 1.00 0.43 H new ATOM 861 N LEU A 53 7.475 6.576 -2.574 1.00 0.31 N ATOM 862 CA LEU A 53 7.616 5.126 -2.455 1.00 0.27 C ATOM 863 C LEU A 53 6.648 4.520 -1.455 1.00 0.20 C ATOM 864 O LEU A 53 6.052 3.482 -1.724 1.00 0.20 O ATOM 865 CB LEU A 53 9.007 4.721 -2.015 1.00 0.29 C ATOM 866 CG LEU A 53 9.110 3.225 -1.728 1.00 0.33 C ATOM 867 CD1 LEU A 53 9.215 2.421 -3.007 1.00 0.55 C ATOM 868 CD2 LEU A 53 10.240 2.937 -0.782 1.00 0.67 C ATOM 0 H LEU A 53 8.337 7.098 -2.419 1.00 0.31 H new ATOM 0 HA LEU A 53 7.403 4.751 -3.456 1.00 0.27 H new ATOM 0 HB2 LEU A 53 9.724 4.990 -2.790 1.00 0.29 H new ATOM 0 HB3 LEU A 53 9.280 5.280 -1.120 1.00 0.29 H new ATOM 0 HG LEU A 53 8.189 2.911 -1.237 1.00 0.33 H new ATOM 0 HD11 LEU A 53 9.287 1.361 -2.765 1.00 0.55 H new ATOM 0 HD12 LEU A 53 8.330 2.595 -3.620 1.00 0.55 H new ATOM 0 HD13 LEU A 53 10.104 2.728 -3.558 1.00 0.55 H new ATOM 0 HD21 LEU A 53 10.292 1.865 -0.593 1.00 0.67 H new ATOM 0 HD22 LEU A 53 11.178 3.274 -1.223 1.00 0.67 H new ATOM 0 HD23 LEU A 53 10.071 3.463 0.158 1.00 0.67 H new ATOM 880 N ALA A 54 6.534 5.139 -0.289 1.00 0.19 N ATOM 881 CA ALA A 54 5.701 4.599 0.769 1.00 0.17 C ATOM 882 C ALA A 54 4.282 4.356 0.250 1.00 0.15 C ATOM 883 O ALA A 54 3.642 3.349 0.562 1.00 0.15 O ATOM 884 CB ALA A 54 5.685 5.549 1.955 1.00 0.24 C ATOM 0 H ALA A 54 7.007 6.012 -0.055 1.00 0.19 H new ATOM 0 HA ALA A 54 6.115 3.645 1.097 1.00 0.17 H new ATOM 0 HB1 ALA A 54 5.057 5.135 2.744 1.00 0.24 H new ATOM 0 HB2 ALA A 54 6.700 5.680 2.330 1.00 0.24 H new ATOM 0 HB3 ALA A 54 5.286 6.514 1.643 1.00 0.24 H new ATOM 890 N SER A 55 3.816 5.297 -0.558 1.00 0.17 N ATOM 891 CA SER A 55 2.537 5.188 -1.235 1.00 0.21 C ATOM 892 C SER A 55 2.573 4.109 -2.319 1.00 0.21 C ATOM 893 O SER A 55 1.579 3.428 -2.550 1.00 0.25 O ATOM 894 CB SER A 55 2.180 6.538 -1.849 1.00 0.28 C ATOM 895 OG SER A 55 2.439 7.588 -0.934 1.00 1.08 O ATOM 0 H SER A 55 4.319 6.161 -0.762 1.00 0.17 H new ATOM 0 HA SER A 55 1.779 4.900 -0.507 1.00 0.21 H new ATOM 0 HB2 SER A 55 2.757 6.693 -2.761 1.00 0.28 H new ATOM 0 HB3 SER A 55 1.128 6.547 -2.133 1.00 0.28 H new ATOM 0 HG SER A 55 2.206 8.446 -1.346 1.00 1.08 H new ATOM 901 N HIS A 56 3.723 3.954 -2.976 1.00 0.21 N ATOM 902 CA HIS A 56 3.900 2.908 -3.987 1.00 0.23 C ATOM 903 C HIS A 56 3.699 1.528 -3.377 1.00 0.20 C ATOM 904 O HIS A 56 3.212 0.613 -4.036 1.00 0.23 O ATOM 905 CB HIS A 56 5.284 2.980 -4.637 1.00 0.29 C ATOM 906 CG HIS A 56 5.318 3.753 -5.919 1.00 0.45 C ATOM 907 ND1 HIS A 56 5.398 3.146 -7.152 1.00 0.79 N ATOM 908 CD2 HIS A 56 5.304 5.086 -6.159 1.00 0.70 C ATOM 909 CE1 HIS A 56 5.437 4.069 -8.093 1.00 0.99 C ATOM 910 NE2 HIS A 56 5.382 5.255 -7.519 1.00 0.93 N ATOM 0 H HIS A 56 4.546 4.538 -2.827 1.00 0.21 H new ATOM 0 HA HIS A 56 3.147 3.077 -4.757 1.00 0.23 H new ATOM 0 HB2 HIS A 56 5.981 3.434 -3.933 1.00 0.29 H new ATOM 0 HB3 HIS A 56 5.638 1.967 -4.827 1.00 0.29 H new ATOM 0 HD2 HIS A 56 5.243 5.870 -5.418 1.00 0.70 H new ATOM 0 HE1 HIS A 56 5.503 3.885 -9.155 1.00 0.99 H new ATOM 0 HE2 HIS A 56 5.395 6.151 -8.006 1.00 0.93 H new ATOM 919 N LEU A 57 4.076 1.394 -2.112 1.00 0.15 N ATOM 920 CA LEU A 57 3.877 0.150 -1.381 1.00 0.13 C ATOM 921 C LEU A 57 2.386 -0.093 -1.199 1.00 0.13 C ATOM 922 O LEU A 57 1.895 -1.214 -1.350 1.00 0.15 O ATOM 923 CB LEU A 57 4.576 0.221 -0.023 1.00 0.14 C ATOM 924 CG LEU A 57 6.082 0.478 -0.081 1.00 0.17 C ATOM 925 CD1 LEU A 57 6.613 0.820 1.300 1.00 0.19 C ATOM 926 CD2 LEU A 57 6.811 -0.732 -0.651 1.00 0.22 C ATOM 0 H LEU A 57 4.522 2.134 -1.570 1.00 0.15 H new ATOM 0 HA LEU A 57 4.308 -0.677 -1.946 1.00 0.13 H new ATOM 0 HB2 LEU A 57 4.111 1.011 0.567 1.00 0.14 H new ATOM 0 HB3 LEU A 57 4.403 -0.716 0.507 1.00 0.14 H new ATOM 0 HG LEU A 57 6.263 1.327 -0.741 1.00 0.17 H new ATOM 0 HD11 LEU A 57 7.686 1.000 1.243 1.00 0.19 H new ATOM 0 HD12 LEU A 57 6.114 1.715 1.670 1.00 0.19 H new ATOM 0 HD13 LEU A 57 6.420 -0.010 1.980 1.00 0.19 H new ATOM 0 HD21 LEU A 57 7.882 -0.529 -0.684 1.00 0.22 H new ATOM 0 HD22 LEU A 57 6.625 -1.600 -0.018 1.00 0.22 H new ATOM 0 HD23 LEU A 57 6.448 -0.934 -1.659 1.00 0.22 H new ATOM 938 N CYS A 58 1.667 0.979 -0.891 1.00 0.16 N ATOM 939 CA CYS A 58 0.212 0.917 -0.768 1.00 0.19 C ATOM 940 C CYS A 58 -0.410 0.560 -2.115 1.00 0.19 C ATOM 941 O CYS A 58 -1.357 -0.223 -2.191 1.00 0.20 O ATOM 942 CB CYS A 58 -0.339 2.253 -0.256 1.00 0.23 C ATOM 943 SG CYS A 58 -2.124 2.280 0.020 1.00 0.27 S ATOM 0 H CYS A 58 2.065 1.903 -0.721 1.00 0.16 H new ATOM 0 HA CYS A 58 -0.048 0.142 -0.047 1.00 0.19 H new ATOM 0 HB2 CYS A 58 0.163 2.503 0.679 1.00 0.23 H new ATOM 0 HB3 CYS A 58 -0.084 3.034 -0.973 1.00 0.23 H new ATOM 0 HG CYS A 58 -2.740 2.059 -1.103 1.00 0.27 H new ATOM 949 N VAL A 59 0.146 1.136 -3.174 1.00 0.19 N ATOM 950 CA VAL A 59 -0.292 0.848 -4.533 1.00 0.22 C ATOM 951 C VAL A 59 -0.079 -0.625 -4.875 1.00 0.20 C ATOM 952 O VAL A 59 -0.889 -1.226 -5.572 1.00 0.22 O ATOM 953 CB VAL A 59 0.450 1.738 -5.557 1.00 0.25 C ATOM 954 CG1 VAL A 59 0.129 1.326 -6.986 1.00 0.29 C ATOM 955 CG2 VAL A 59 0.095 3.199 -5.342 1.00 0.29 C ATOM 0 H VAL A 59 0.908 1.811 -3.115 1.00 0.19 H new ATOM 0 HA VAL A 59 -1.358 1.070 -4.587 1.00 0.22 H new ATOM 0 HB VAL A 59 1.520 1.604 -5.400 1.00 0.25 H new ATOM 0 HG11 VAL A 59 0.667 1.972 -7.680 1.00 0.29 H new ATOM 0 HG12 VAL A 59 0.433 0.291 -7.143 1.00 0.29 H new ATOM 0 HG13 VAL A 59 -0.943 1.420 -7.160 1.00 0.29 H new ATOM 0 HG21 VAL A 59 0.625 3.813 -6.070 1.00 0.29 H new ATOM 0 HG22 VAL A 59 -0.979 3.334 -5.466 1.00 0.29 H new ATOM 0 HG23 VAL A 59 0.384 3.499 -4.335 1.00 0.29 H new ATOM 965 N ALA A 60 1.000 -1.206 -4.364 1.00 0.18 N ATOM 966 CA ALA A 60 1.297 -2.616 -4.603 1.00 0.21 C ATOM 967 C ALA A 60 0.174 -3.511 -4.096 1.00 0.17 C ATOM 968 O ALA A 60 -0.157 -4.518 -4.726 1.00 0.17 O ATOM 969 CB ALA A 60 2.620 -2.999 -3.962 1.00 0.28 C ATOM 0 H ALA A 60 1.685 -0.724 -3.781 1.00 0.18 H new ATOM 0 HA ALA A 60 1.379 -2.763 -5.680 1.00 0.21 H new ATOM 0 HB1 ALA A 60 2.824 -4.053 -4.151 1.00 0.28 H new ATOM 0 HB2 ALA A 60 3.420 -2.393 -4.388 1.00 0.28 H new ATOM 0 HB3 ALA A 60 2.567 -2.827 -2.887 1.00 0.28 H new ATOM 975 N ALA A 61 -0.424 -3.150 -2.965 1.00 0.16 N ATOM 976 CA ALA A 61 -1.555 -3.900 -2.459 1.00 0.16 C ATOM 977 C ALA A 61 -2.796 -3.612 -3.299 1.00 0.14 C ATOM 978 O ALA A 61 -3.597 -4.510 -3.567 1.00 0.15 O ATOM 979 CB ALA A 61 -1.793 -3.581 -0.999 1.00 0.20 C ATOM 0 H ALA A 61 -0.145 -2.353 -2.392 1.00 0.16 H new ATOM 0 HA ALA A 61 -1.335 -4.965 -2.534 1.00 0.16 H new ATOM 0 HB1 ALA A 61 -2.646 -4.154 -0.636 1.00 0.20 H new ATOM 0 HB2 ALA A 61 -0.907 -3.843 -0.420 1.00 0.20 H new ATOM 0 HB3 ALA A 61 -1.997 -2.516 -0.888 1.00 0.20 H new ATOM 985 N PHE A 62 -2.932 -2.361 -3.735 1.00 0.14 N ATOM 986 CA PHE A 62 -4.014 -1.979 -4.639 1.00 0.15 C ATOM 987 C PHE A 62 -3.958 -2.807 -5.918 1.00 0.15 C ATOM 988 O PHE A 62 -4.964 -3.371 -6.345 1.00 0.16 O ATOM 989 CB PHE A 62 -3.934 -0.495 -5.009 1.00 0.17 C ATOM 990 CG PHE A 62 -4.351 0.461 -3.924 1.00 0.19 C ATOM 991 CD1 PHE A 62 -5.478 0.214 -3.161 1.00 0.21 C ATOM 992 CD2 PHE A 62 -3.631 1.626 -3.692 1.00 0.20 C ATOM 993 CE1 PHE A 62 -5.880 1.107 -2.183 1.00 0.23 C ATOM 994 CE2 PHE A 62 -4.028 2.523 -2.716 1.00 0.23 C ATOM 995 CZ PHE A 62 -5.154 2.262 -1.961 1.00 0.24 C ATOM 0 H PHE A 62 -2.308 -1.597 -3.477 1.00 0.14 H new ATOM 0 HA PHE A 62 -4.953 -2.165 -4.117 1.00 0.15 H new ATOM 0 HB2 PHE A 62 -2.909 -0.265 -5.300 1.00 0.17 H new ATOM 0 HB3 PHE A 62 -4.560 -0.321 -5.884 1.00 0.17 H new ATOM 0 HD1 PHE A 62 -6.051 -0.686 -3.330 1.00 0.21 H new ATOM 0 HD2 PHE A 62 -2.750 1.834 -4.281 1.00 0.20 H new ATOM 0 HE1 PHE A 62 -6.761 0.901 -1.593 1.00 0.23 H new ATOM 0 HE2 PHE A 62 -3.459 3.425 -2.545 1.00 0.23 H new ATOM 0 HZ PHE A 62 -5.467 2.959 -1.198 1.00 0.24 H new ATOM 1005 N GLU A 63 -2.772 -2.870 -6.512 1.00 0.16 N ATOM 1006 CA GLU A 63 -2.538 -3.640 -7.729 1.00 0.19 C ATOM 1007 C GLU A 63 -2.995 -5.081 -7.566 1.00 0.19 C ATOM 1008 O GLU A 63 -3.572 -5.671 -8.479 1.00 0.24 O ATOM 1009 CB GLU A 63 -1.047 -3.626 -8.076 1.00 0.22 C ATOM 1010 CG GLU A 63 -0.534 -2.280 -8.559 1.00 0.29 C ATOM 1011 CD GLU A 63 -1.025 -1.943 -9.949 1.00 1.16 C ATOM 1012 OE1 GLU A 63 -0.428 -2.441 -10.926 1.00 1.58 O ATOM 1013 OE2 GLU A 63 -2.007 -1.185 -10.073 1.00 1.98 O ATOM 0 H GLU A 63 -1.944 -2.388 -6.163 1.00 0.16 H new ATOM 0 HA GLU A 63 -3.114 -3.179 -8.531 1.00 0.19 H new ATOM 0 HB2 GLU A 63 -0.478 -3.925 -7.196 1.00 0.22 H new ATOM 0 HB3 GLU A 63 -0.858 -4.373 -8.847 1.00 0.22 H new ATOM 0 HG2 GLU A 63 -0.853 -1.502 -7.865 1.00 0.29 H new ATOM 0 HG3 GLU A 63 0.556 -2.286 -8.553 1.00 0.29 H new ATOM 1020 N HIS A 64 -2.749 -5.632 -6.389 1.00 0.17 N ATOM 1021 CA HIS A 64 -3.030 -7.033 -6.130 1.00 0.19 C ATOM 1022 C HIS A 64 -4.530 -7.259 -5.946 1.00 0.19 C ATOM 1023 O HIS A 64 -5.111 -8.183 -6.522 1.00 0.24 O ATOM 1024 CB HIS A 64 -2.256 -7.497 -4.890 1.00 0.20 C ATOM 1025 CG HIS A 64 -2.261 -8.986 -4.686 1.00 0.58 C ATOM 1026 ND1 HIS A 64 -1.890 -9.591 -3.500 1.00 1.50 N ATOM 1027 CD2 HIS A 64 -2.575 -9.997 -5.533 1.00 1.13 C ATOM 1028 CE1 HIS A 64 -1.982 -10.902 -3.631 1.00 1.68 C ATOM 1029 NE2 HIS A 64 -2.395 -11.171 -4.852 1.00 1.33 N ATOM 0 H HIS A 64 -2.354 -5.128 -5.595 1.00 0.17 H new ATOM 0 HA HIS A 64 -2.706 -7.621 -6.988 1.00 0.19 H new ATOM 0 HB2 HIS A 64 -1.224 -7.155 -4.970 1.00 0.20 H new ATOM 0 HB3 HIS A 64 -2.683 -7.019 -4.008 1.00 0.20 H new ATOM 0 HD2 HIS A 64 -2.906 -9.895 -6.556 1.00 1.13 H new ATOM 0 HE1 HIS A 64 -1.757 -11.630 -2.866 1.00 1.68 H new ATOM 0 HE2 HIS A 64 -2.555 -12.105 -5.230 1.00 1.33 H new ATOM 1038 N ALA A 65 -5.158 -6.401 -5.158 1.00 0.15 N ATOM 1039 CA ALA A 65 -6.573 -6.543 -4.869 1.00 0.16 C ATOM 1040 C ALA A 65 -7.425 -6.176 -6.073 1.00 0.15 C ATOM 1041 O ALA A 65 -8.316 -6.931 -6.451 1.00 0.17 O ATOM 1042 CB ALA A 65 -6.962 -5.698 -3.678 1.00 0.20 C ATOM 0 H ALA A 65 -4.711 -5.602 -4.709 1.00 0.15 H new ATOM 0 HA ALA A 65 -6.756 -7.591 -4.632 1.00 0.16 H new ATOM 0 HB1 ALA A 65 -8.027 -5.819 -3.478 1.00 0.20 H new ATOM 0 HB2 ALA A 65 -6.391 -6.014 -2.805 1.00 0.20 H new ATOM 0 HB3 ALA A 65 -6.749 -4.650 -3.890 1.00 0.20 H new ATOM 1048 N SER A 66 -7.142 -5.021 -6.674 1.00 0.16 N ATOM 1049 CA SER A 66 -7.895 -4.546 -7.835 1.00 0.20 C ATOM 1050 C SER A 66 -7.969 -5.611 -8.932 1.00 0.24 C ATOM 1051 O SER A 66 -9.039 -5.874 -9.477 1.00 0.31 O ATOM 1052 CB SER A 66 -7.261 -3.263 -8.390 1.00 0.24 C ATOM 1053 OG SER A 66 -7.938 -2.800 -9.548 1.00 1.21 O ATOM 0 H SER A 66 -6.394 -4.395 -6.375 1.00 0.16 H new ATOM 0 HA SER A 66 -8.912 -4.333 -7.506 1.00 0.20 H new ATOM 0 HB2 SER A 66 -7.279 -2.488 -7.624 1.00 0.24 H new ATOM 0 HB3 SER A 66 -6.214 -3.449 -8.631 1.00 0.24 H new ATOM 0 HG SER A 66 -7.508 -1.981 -9.873 1.00 1.21 H new ATOM 1059 N SER A 67 -6.842 -6.245 -9.233 1.00 0.25 N ATOM 1060 CA SER A 67 -6.799 -7.249 -10.289 1.00 0.33 C ATOM 1061 C SER A 67 -7.636 -8.477 -9.924 1.00 0.34 C ATOM 1062 O SER A 67 -8.216 -9.127 -10.795 1.00 0.44 O ATOM 1063 CB SER A 67 -5.353 -7.650 -10.573 1.00 0.39 C ATOM 1064 OG SER A 67 -4.655 -7.913 -9.368 1.00 1.20 O ATOM 0 H SER A 67 -5.951 -6.083 -8.764 1.00 0.25 H new ATOM 0 HA SER A 67 -7.229 -6.812 -11.191 1.00 0.33 H new ATOM 0 HB2 SER A 67 -5.335 -8.535 -11.209 1.00 0.39 H new ATOM 0 HB3 SER A 67 -4.851 -6.853 -11.122 1.00 0.39 H new ATOM 0 HG SER A 67 -4.172 -7.108 -9.087 1.00 1.20 H new ATOM 1070 N HIS A 68 -7.713 -8.777 -8.633 1.00 0.29 N ATOM 1071 CA HIS A 68 -8.479 -9.926 -8.163 1.00 0.35 C ATOM 1072 C HIS A 68 -9.909 -9.511 -7.810 1.00 0.37 C ATOM 1073 O HIS A 68 -10.700 -10.315 -7.313 1.00 0.44 O ATOM 1074 CB HIS A 68 -7.792 -10.536 -6.940 1.00 0.37 C ATOM 1075 CG HIS A 68 -8.086 -11.989 -6.735 1.00 0.48 C ATOM 1076 ND1 HIS A 68 -7.210 -12.973 -7.107 1.00 1.25 N ATOM 1077 CD2 HIS A 68 -9.149 -12.623 -6.184 1.00 1.16 C ATOM 1078 CE1 HIS A 68 -7.715 -14.154 -6.798 1.00 1.03 C ATOM 1079 NE2 HIS A 68 -8.891 -13.967 -6.235 1.00 0.82 N ATOM 0 H HIS A 68 -7.256 -8.243 -7.894 1.00 0.29 H new ATOM 0 HA HIS A 68 -8.524 -10.669 -8.960 1.00 0.35 H new ATOM 0 HB2 HIS A 68 -6.714 -10.405 -7.039 1.00 0.37 H new ATOM 0 HB3 HIS A 68 -8.100 -9.985 -6.051 1.00 0.37 H new ATOM 0 HD2 HIS A 68 -10.035 -12.156 -5.780 1.00 1.16 H new ATOM 0 HE1 HIS A 68 -7.244 -15.109 -6.976 1.00 1.03 H new ATOM 0 HE2 HIS A 68 -9.509 -14.703 -5.893 1.00 0.82 H new ATOM 1088 N SER A 69 -10.220 -8.244 -8.068 1.00 0.33 N ATOM 1089 CA SER A 69 -11.531 -7.667 -7.759 1.00 0.37 C ATOM 1090 C SER A 69 -11.819 -7.755 -6.256 1.00 0.34 C ATOM 1091 O SER A 69 -12.934 -8.075 -5.836 1.00 0.54 O ATOM 1092 CB SER A 69 -12.630 -8.378 -8.558 1.00 0.47 C ATOM 1093 OG SER A 69 -12.361 -8.341 -9.953 1.00 1.12 O ATOM 0 H SER A 69 -9.571 -7.585 -8.498 1.00 0.33 H new ATOM 0 HA SER A 69 -11.520 -6.615 -8.045 1.00 0.37 H new ATOM 0 HB2 SER A 69 -12.710 -9.414 -8.228 1.00 0.47 H new ATOM 0 HB3 SER A 69 -13.591 -7.905 -8.358 1.00 0.47 H new ATOM 0 HG SER A 69 -13.077 -8.803 -10.437 1.00 1.12 H new ATOM 1099 N ILE A 70 -10.798 -7.459 -5.459 1.00 0.22 N ATOM 1100 CA ILE A 70 -10.894 -7.522 -4.006 1.00 0.21 C ATOM 1101 C ILE A 70 -11.081 -6.119 -3.421 1.00 0.19 C ATOM 1102 O ILE A 70 -10.696 -5.126 -4.041 1.00 0.20 O ATOM 1103 CB ILE A 70 -9.625 -8.195 -3.405 1.00 0.23 C ATOM 1104 CG1 ILE A 70 -9.486 -9.623 -3.940 1.00 0.30 C ATOM 1105 CG2 ILE A 70 -9.662 -8.209 -1.882 1.00 0.27 C ATOM 1106 CD1 ILE A 70 -8.289 -10.368 -3.385 1.00 0.36 C ATOM 0 H ILE A 70 -9.882 -7.169 -5.802 1.00 0.22 H new ATOM 0 HA ILE A 70 -11.763 -8.126 -3.744 1.00 0.21 H new ATOM 0 HB ILE A 70 -8.760 -7.606 -3.710 1.00 0.23 H new ATOM 0 HG12 ILE A 70 -10.392 -10.180 -3.702 1.00 0.30 H new ATOM 0 HG13 ILE A 70 -9.409 -9.588 -5.027 1.00 0.30 H new ATOM 0 HG21 ILE A 70 -8.760 -8.687 -1.500 1.00 0.27 H new ATOM 0 HG22 ILE A 70 -9.716 -7.186 -1.510 1.00 0.27 H new ATOM 0 HG23 ILE A 70 -10.537 -8.765 -1.544 1.00 0.27 H new ATOM 0 HD11 ILE A 70 -8.256 -11.372 -3.809 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -7.375 -9.834 -3.646 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -8.373 -10.435 -2.300 1.00 0.36 H new ATOM 1118 N SER A 71 -11.688 -6.040 -2.243 1.00 0.19 N ATOM 1119 CA SER A 71 -11.880 -4.771 -1.560 1.00 0.19 C ATOM 1120 C SER A 71 -10.699 -4.524 -0.624 1.00 0.17 C ATOM 1121 O SER A 71 -10.005 -5.462 -0.241 1.00 0.19 O ATOM 1122 CB SER A 71 -13.201 -4.794 -0.776 1.00 0.23 C ATOM 1123 OG SER A 71 -13.493 -3.532 -0.195 1.00 1.01 O ATOM 0 H SER A 71 -12.057 -6.847 -1.740 1.00 0.19 H new ATOM 0 HA SER A 71 -11.931 -3.962 -2.288 1.00 0.19 H new ATOM 0 HB2 SER A 71 -14.014 -5.084 -1.442 1.00 0.23 H new ATOM 0 HB3 SER A 71 -13.145 -5.550 0.007 1.00 0.23 H new ATOM 0 HG SER A 71 -13.154 -2.819 -0.775 1.00 1.01 H new ATOM 1129 N ILE A 72 -10.464 -3.272 -0.269 1.00 0.15 N ATOM 1130 CA ILE A 72 -9.295 -2.913 0.524 1.00 0.14 C ATOM 1131 C ILE A 72 -9.659 -1.923 1.639 1.00 0.14 C ATOM 1132 O ILE A 72 -10.618 -1.158 1.527 1.00 0.16 O ATOM 1133 CB ILE A 72 -8.176 -2.312 -0.383 1.00 0.14 C ATOM 1134 CG1 ILE A 72 -7.559 -3.395 -1.274 1.00 0.16 C ATOM 1135 CG2 ILE A 72 -7.086 -1.619 0.426 1.00 0.14 C ATOM 1136 CD1 ILE A 72 -6.240 -2.983 -1.898 1.00 0.20 C ATOM 0 H ILE A 72 -11.065 -2.486 -0.516 1.00 0.15 H new ATOM 0 HA ILE A 72 -8.920 -3.825 0.988 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.651 -1.558 -1.011 1.00 0.14 H new ATOM 0 HG12 ILE A 72 -7.406 -4.298 -0.683 1.00 0.16 H new ATOM 0 HG13 ILE A 72 -8.264 -3.648 -2.066 1.00 0.16 H new ATOM 0 HG21 ILE A 72 -6.331 -1.218 -0.250 1.00 0.14 H new ATOM 0 HG22 ILE A 72 -7.524 -0.806 1.005 1.00 0.14 H new ATOM 0 HG23 ILE A 72 -6.623 -2.337 1.102 1.00 0.14 H new ATOM 0 HD11 ILE A 72 -5.860 -3.797 -2.516 1.00 0.20 H new ATOM 0 HD12 ILE A 72 -6.391 -2.098 -2.516 1.00 0.20 H new ATOM 0 HD13 ILE A 72 -5.520 -2.758 -1.111 1.00 0.20 H new ATOM 1148 N ILE A 73 -8.894 -1.982 2.720 1.00 0.13 N ATOM 1149 CA ILE A 73 -8.973 -1.032 3.820 1.00 0.13 C ATOM 1150 C ILE A 73 -7.554 -0.631 4.198 1.00 0.13 C ATOM 1151 O ILE A 73 -6.789 -1.450 4.693 1.00 0.13 O ATOM 1152 CB ILE A 73 -9.669 -1.648 5.060 1.00 0.14 C ATOM 1153 CG1 ILE A 73 -11.164 -1.853 4.802 1.00 0.19 C ATOM 1154 CG2 ILE A 73 -9.444 -0.784 6.298 1.00 0.15 C ATOM 1155 CD1 ILE A 73 -11.932 -0.567 4.584 1.00 0.24 C ATOM 0 H ILE A 73 -8.188 -2.705 2.859 1.00 0.13 H new ATOM 0 HA ILE A 73 -9.561 -0.172 3.500 1.00 0.13 H new ATOM 0 HB ILE A 73 -9.222 -2.625 5.246 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -11.287 -2.491 3.927 1.00 0.19 H new ATOM 0 HG13 ILE A 73 -11.599 -2.385 5.648 1.00 0.19 H new ATOM 0 HG21 ILE A 73 -9.943 -1.238 7.154 1.00 0.15 H new ATOM 0 HG22 ILE A 73 -8.375 -0.707 6.499 1.00 0.15 H new ATOM 0 HG23 ILE A 73 -9.853 0.212 6.126 1.00 0.15 H new ATOM 0 HD11 ILE A 73 -12.983 -0.796 4.408 1.00 0.24 H new ATOM 0 HD12 ILE A 73 -11.842 0.065 5.467 1.00 0.24 H new ATOM 0 HD13 ILE A 73 -11.525 -0.042 3.719 1.00 0.24 H new ATOM 1167 N PRO A 74 -7.162 0.611 3.930 1.00 0.17 N ATOM 1168 CA PRO A 74 -5.809 1.063 4.175 1.00 0.18 C ATOM 1169 C PRO A 74 -5.608 1.672 5.563 1.00 0.17 C ATOM 1170 O PRO A 74 -6.058 2.784 5.836 1.00 0.19 O ATOM 1171 CB PRO A 74 -5.597 2.115 3.081 1.00 0.23 C ATOM 1172 CG PRO A 74 -6.965 2.480 2.569 1.00 0.31 C ATOM 1173 CD PRO A 74 -7.976 1.671 3.345 1.00 0.23 C ATOM 0 HA PRO A 74 -5.098 0.237 4.149 1.00 0.18 H new ATOM 0 HB2 PRO A 74 -5.085 2.991 3.479 1.00 0.23 H new ATOM 0 HB3 PRO A 74 -4.975 1.720 2.278 1.00 0.23 H new ATOM 0 HG2 PRO A 74 -7.149 3.547 2.697 1.00 0.31 H new ATOM 0 HG3 PRO A 74 -7.043 2.269 1.503 1.00 0.31 H new ATOM 0 HD2 PRO A 74 -8.471 2.269 4.110 1.00 0.23 H new ATOM 0 HD3 PRO A 74 -8.757 1.271 2.698 1.00 0.23 H new ATOM 1181 N SER A 75 -4.945 0.922 6.436 1.00 0.16 N ATOM 1182 CA SER A 75 -4.463 1.440 7.712 1.00 0.17 C ATOM 1183 C SER A 75 -3.222 2.302 7.463 1.00 0.16 C ATOM 1184 O SER A 75 -2.810 3.103 8.300 1.00 0.20 O ATOM 1185 CB SER A 75 -4.138 0.280 8.654 1.00 0.20 C ATOM 1186 OG SER A 75 -5.280 -0.540 8.858 1.00 1.19 O ATOM 0 H SER A 75 -4.726 -0.062 6.280 1.00 0.16 H new ATOM 0 HA SER A 75 -5.233 2.053 8.180 1.00 0.17 H new ATOM 0 HB2 SER A 75 -3.326 -0.316 8.237 1.00 0.20 H new ATOM 0 HB3 SER A 75 -3.789 0.669 9.610 1.00 0.20 H new ATOM 0 HG SER A 75 -5.305 -1.241 8.174 1.00 1.19 H new ATOM 1192 N CYS A 76 -2.650 2.104 6.282 1.00 0.17 N ATOM 1193 CA CYS A 76 -1.607 2.952 5.697 1.00 0.17 C ATOM 1194 C CYS A 76 -2.120 4.371 5.406 1.00 0.16 C ATOM 1195 O CYS A 76 -1.547 5.076 4.578 1.00 0.20 O ATOM 1196 CB CYS A 76 -1.020 2.312 4.439 1.00 0.25 C ATOM 1197 SG CYS A 76 -0.513 0.596 4.675 1.00 0.90 S ATOM 0 H CYS A 76 -2.906 1.321 5.680 1.00 0.17 H new ATOM 0 HA CYS A 76 -0.810 3.041 6.436 1.00 0.17 H new ATOM 0 HB2 CYS A 76 -1.759 2.358 3.639 1.00 0.25 H new ATOM 0 HB3 CYS A 76 -0.159 2.895 4.112 1.00 0.25 H new ATOM 0 HG CYS A 76 -1.097 0.112 5.731 1.00 0.90 H new ATOM 1203 N SER A 77 -3.264 4.719 6.006 1.00 0.20 N ATOM 1204 CA SER A 77 -4.065 5.902 5.674 1.00 0.25 C ATOM 1205 C SER A 77 -3.267 7.216 5.564 1.00 0.24 C ATOM 1206 O SER A 77 -3.820 8.224 5.125 1.00 0.26 O ATOM 1207 CB SER A 77 -5.136 6.073 6.751 1.00 0.34 C ATOM 1208 OG SER A 77 -5.486 4.823 7.325 1.00 0.71 O ATOM 0 H SER A 77 -3.671 4.167 6.761 1.00 0.20 H new ATOM 0 HA SER A 77 -4.483 5.720 4.684 1.00 0.25 H new ATOM 0 HB2 SER A 77 -4.771 6.744 7.528 1.00 0.34 H new ATOM 0 HB3 SER A 77 -6.021 6.539 6.318 1.00 0.34 H new ATOM 0 HG SER A 77 -5.866 4.241 6.634 1.00 0.71 H new ATOM 1214 N TYR A 78 -1.996 7.225 5.954 1.00 0.23 N ATOM 1215 CA TYR A 78 -1.113 8.330 5.588 1.00 0.24 C ATOM 1216 C TYR A 78 -1.113 8.465 4.068 1.00 0.20 C ATOM 1217 O TYR A 78 -1.292 9.556 3.521 1.00 0.21 O ATOM 1218 CB TYR A 78 0.318 8.082 6.104 1.00 0.27 C ATOM 1219 CG TYR A 78 1.406 8.401 5.090 1.00 0.24 C ATOM 1220 CD1 TYR A 78 1.836 9.703 4.875 1.00 0.24 C ATOM 1221 CD2 TYR A 78 1.987 7.388 4.333 1.00 0.26 C ATOM 1222 CE1 TYR A 78 2.811 9.986 3.937 1.00 0.25 C ATOM 1223 CE2 TYR A 78 2.963 7.660 3.394 1.00 0.27 C ATOM 1224 CZ TYR A 78 3.369 8.962 3.198 1.00 0.25 C ATOM 1225 OH TYR A 78 4.344 9.247 2.267 1.00 0.30 O ATOM 0 H TYR A 78 -1.559 6.493 6.514 1.00 0.23 H new ATOM 0 HA TYR A 78 -1.473 9.252 6.045 1.00 0.24 H new ATOM 0 HB2 TYR A 78 0.480 8.685 6.997 1.00 0.27 H new ATOM 0 HB3 TYR A 78 0.409 7.038 6.403 1.00 0.27 H new ATOM 0 HD1 TYR A 78 1.402 10.508 5.450 1.00 0.24 H new ATOM 0 HD2 TYR A 78 1.668 6.367 4.483 1.00 0.26 H new ATOM 0 HE1 TYR A 78 3.135 11.005 3.783 1.00 0.25 H new ATOM 0 HE2 TYR A 78 3.404 6.859 2.819 1.00 0.27 H new ATOM 0 HH TYR A 78 4.850 10.036 2.554 1.00 0.30 H new ATOM 1235 N VAL A 79 -0.953 7.328 3.401 1.00 0.18 N ATOM 1236 CA VAL A 79 -1.004 7.259 1.956 1.00 0.17 C ATOM 1237 C VAL A 79 -2.397 7.609 1.483 1.00 0.18 C ATOM 1238 O VAL A 79 -2.578 8.428 0.596 1.00 0.19 O ATOM 1239 CB VAL A 79 -0.665 5.844 1.442 1.00 0.18 C ATOM 1240 CG1 VAL A 79 -0.780 5.779 -0.073 1.00 0.20 C ATOM 1241 CG2 VAL A 79 0.720 5.413 1.899 1.00 0.18 C ATOM 0 H VAL A 79 -0.784 6.429 3.853 1.00 0.18 H new ATOM 0 HA VAL A 79 -0.268 7.963 1.567 1.00 0.17 H new ATOM 0 HB VAL A 79 -1.389 5.149 1.868 1.00 0.18 H new ATOM 0 HG11 VAL A 79 -0.537 4.773 -0.414 1.00 0.20 H new ATOM 0 HG12 VAL A 79 -1.799 6.027 -0.372 1.00 0.20 H new ATOM 0 HG13 VAL A 79 -0.087 6.491 -0.521 1.00 0.20 H new ATOM 0 HG21 VAL A 79 0.932 4.412 1.522 1.00 0.18 H new ATOM 0 HG22 VAL A 79 1.464 6.111 1.514 1.00 0.18 H new ATOM 0 HG23 VAL A 79 0.758 5.406 2.988 1.00 0.18 H new ATOM 1251 N SER A 80 -3.374 6.990 2.114 1.00 0.20 N ATOM 1252 CA SER A 80 -4.766 7.145 1.716 1.00 0.25 C ATOM 1253 C SER A 80 -5.188 8.610 1.724 1.00 0.23 C ATOM 1254 O SER A 80 -5.875 9.082 0.824 1.00 0.23 O ATOM 1255 CB SER A 80 -5.642 6.348 2.669 1.00 0.36 C ATOM 1256 OG SER A 80 -5.064 5.080 2.916 1.00 0.99 O ATOM 0 H SER A 80 -3.232 6.369 2.911 1.00 0.20 H new ATOM 0 HA SER A 80 -4.882 6.774 0.698 1.00 0.25 H new ATOM 0 HB2 SER A 80 -5.760 6.891 3.607 1.00 0.36 H new ATOM 0 HB3 SER A 80 -6.638 6.226 2.243 1.00 0.36 H new ATOM 0 HG SER A 80 -4.980 4.589 2.072 1.00 0.99 H new ATOM 1262 N ASP A 81 -4.731 9.327 2.731 1.00 0.24 N ATOM 1263 CA ASP A 81 -5.159 10.697 2.963 1.00 0.25 C ATOM 1264 C ASP A 81 -4.592 11.655 1.921 1.00 0.25 C ATOM 1265 O ASP A 81 -5.306 12.510 1.417 1.00 0.27 O ATOM 1266 CB ASP A 81 -4.733 11.135 4.366 1.00 0.31 C ATOM 1267 CG ASP A 81 -4.987 12.601 4.638 1.00 0.38 C ATOM 1268 OD1 ASP A 81 -6.158 12.966 4.872 1.00 0.48 O ATOM 1269 OD2 ASP A 81 -4.027 13.392 4.604 1.00 0.47 O ATOM 0 H ASP A 81 -4.055 8.980 3.411 1.00 0.24 H new ATOM 0 HA ASP A 81 -6.245 10.729 2.878 1.00 0.25 H new ATOM 0 HB2 ASP A 81 -5.269 10.538 5.104 1.00 0.31 H new ATOM 0 HB3 ASP A 81 -3.671 10.927 4.497 1.00 0.31 H new ATOM 1274 N THR A 82 -3.300 11.551 1.639 1.00 0.23 N ATOM 1275 CA THR A 82 -2.675 12.427 0.649 1.00 0.25 C ATOM 1276 C THR A 82 -2.726 11.838 -0.769 1.00 0.22 C ATOM 1277 O THR A 82 -3.164 12.492 -1.718 1.00 0.23 O ATOM 1278 CB THR A 82 -1.217 12.797 1.038 1.00 0.28 C ATOM 1279 OG1 THR A 82 -0.632 13.643 0.038 1.00 0.31 O ATOM 1280 CG2 THR A 82 -0.350 11.557 1.230 1.00 0.26 C ATOM 0 H THR A 82 -2.668 10.879 2.074 1.00 0.23 H new ATOM 0 HA THR A 82 -3.264 13.344 0.644 1.00 0.25 H new ATOM 0 HB THR A 82 -1.261 13.330 1.988 1.00 0.28 H new ATOM 0 HG1 THR A 82 0.286 13.869 0.297 1.00 0.31 H new ATOM 0 HG21 THR A 82 0.662 11.859 1.501 1.00 0.26 H new ATOM 0 HG22 THR A 82 -0.769 10.939 2.024 1.00 0.26 H new ATOM 0 HG23 THR A 82 -0.322 10.986 0.302 1.00 0.26 H new ATOM 1288 N PHE A 83 -2.303 10.586 -0.896 1.00 0.19 N ATOM 1289 CA PHE A 83 -2.070 9.968 -2.195 1.00 0.19 C ATOM 1290 C PHE A 83 -3.357 9.639 -2.925 1.00 0.19 C ATOM 1291 O PHE A 83 -3.431 9.776 -4.140 1.00 0.21 O ATOM 1292 CB PHE A 83 -1.268 8.690 -2.023 1.00 0.18 C ATOM 1293 CG PHE A 83 -0.623 8.214 -3.290 1.00 0.80 C ATOM 1294 CD1 PHE A 83 0.310 9.001 -3.943 1.00 0.81 C ATOM 1295 CD2 PHE A 83 -0.960 6.986 -3.835 1.00 1.54 C ATOM 1296 CE1 PHE A 83 0.900 8.568 -5.114 1.00 1.50 C ATOM 1297 CE2 PHE A 83 -0.376 6.552 -5.007 1.00 2.25 C ATOM 1298 CZ PHE A 83 0.556 7.343 -5.646 1.00 2.24 C ATOM 0 H PHE A 83 -2.112 9.972 -0.104 1.00 0.19 H new ATOM 0 HA PHE A 83 -1.520 10.694 -2.793 1.00 0.19 H new ATOM 0 HB2 PHE A 83 -0.496 8.853 -1.271 1.00 0.18 H new ATOM 0 HB3 PHE A 83 -1.924 7.907 -1.642 1.00 0.18 H new ATOM 0 HD1 PHE A 83 0.579 9.963 -3.533 1.00 0.81 H new ATOM 0 HD2 PHE A 83 -1.687 6.362 -3.337 1.00 1.54 H new ATOM 0 HE1 PHE A 83 1.630 9.188 -5.613 1.00 1.50 H new ATOM 0 HE2 PHE A 83 -0.648 5.594 -5.424 1.00 2.25 H new ATOM 0 HZ PHE A 83 1.016 7.003 -6.562 1.00 2.24 H new ATOM 1308 N LEU A 84 -4.356 9.185 -2.198 1.00 0.18 N ATOM 1309 CA LEU A 84 -5.598 8.756 -2.833 1.00 0.19 C ATOM 1310 C LEU A 84 -6.411 9.923 -3.412 1.00 0.22 C ATOM 1311 O LEU A 84 -7.011 9.769 -4.467 1.00 0.26 O ATOM 1312 CB LEU A 84 -6.427 7.895 -1.887 1.00 0.20 C ATOM 1313 CG LEU A 84 -5.903 6.463 -1.737 1.00 0.25 C ATOM 1314 CD1 LEU A 84 -6.675 5.702 -0.679 1.00 0.35 C ATOM 1315 CD2 LEU A 84 -5.990 5.737 -3.066 1.00 0.34 C ATOM 0 H LEU A 84 -4.341 9.101 -1.182 1.00 0.18 H new ATOM 0 HA LEU A 84 -5.318 8.140 -3.688 1.00 0.19 H new ATOM 0 HB2 LEU A 84 -6.450 8.368 -0.905 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -7.455 7.860 -2.248 1.00 0.20 H new ATOM 0 HG LEU A 84 -4.861 6.516 -1.421 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -6.279 4.690 -0.597 1.00 0.35 H new ATOM 0 HD12 LEU A 84 -6.575 6.210 0.280 1.00 0.35 H new ATOM 0 HD13 LEU A 84 -7.728 5.658 -0.958 1.00 0.35 H new ATOM 0 HD21 LEU A 84 -5.615 4.720 -2.950 1.00 0.34 H new ATOM 0 HD22 LEU A 84 -7.028 5.706 -3.396 1.00 0.34 H new ATOM 0 HD23 LEU A 84 -5.389 6.263 -3.808 1.00 0.34 H new ATOM 1327 N PRO A 85 -6.464 11.104 -2.762 1.00 0.22 N ATOM 1328 CA PRO A 85 -7.029 12.295 -3.404 1.00 0.26 C ATOM 1329 C PRO A 85 -6.210 12.699 -4.622 1.00 0.28 C ATOM 1330 O PRO A 85 -6.719 13.316 -5.561 1.00 0.33 O ATOM 1331 CB PRO A 85 -6.946 13.381 -2.331 1.00 0.28 C ATOM 1332 CG PRO A 85 -6.786 12.650 -1.048 1.00 0.30 C ATOM 1333 CD PRO A 85 -6.062 11.372 -1.373 1.00 0.22 C ATOM 0 HA PRO A 85 -8.046 12.125 -3.757 1.00 0.26 H new ATOM 0 HB2 PRO A 85 -6.104 14.049 -2.511 1.00 0.28 H new ATOM 0 HB3 PRO A 85 -7.845 13.997 -2.324 1.00 0.28 H new ATOM 0 HG2 PRO A 85 -6.221 13.245 -0.330 1.00 0.30 H new ATOM 0 HG3 PRO A 85 -7.756 12.442 -0.596 1.00 0.30 H new ATOM 0 HD2 PRO A 85 -4.982 11.486 -1.281 1.00 0.22 H new ATOM 0 HD3 PRO A 85 -6.355 10.562 -0.705 1.00 0.22 H new ATOM 1341 N ARG A 86 -4.932 12.346 -4.587 1.00 0.27 N ATOM 1342 CA ARG A 86 -4.016 12.609 -5.689 1.00 0.31 C ATOM 1343 C ARG A 86 -4.271 11.628 -6.840 1.00 0.35 C ATOM 1344 O ARG A 86 -4.293 12.016 -8.007 1.00 0.48 O ATOM 1345 CB ARG A 86 -2.575 12.513 -5.170 1.00 0.33 C ATOM 1346 CG ARG A 86 -1.495 12.676 -6.225 1.00 0.75 C ATOM 1347 CD ARG A 86 -0.125 12.790 -5.574 1.00 0.72 C ATOM 1348 NE ARG A 86 0.970 12.589 -6.521 1.00 1.43 N ATOM 1349 CZ ARG A 86 2.240 12.906 -6.268 1.00 1.69 C ATOM 1350 NH1 ARG A 86 2.557 13.547 -5.145 1.00 1.44 N ATOM 1351 NH2 ARG A 86 3.189 12.604 -7.149 1.00 2.56 N ATOM 0 H ARG A 86 -4.501 11.870 -3.795 1.00 0.27 H new ATOM 0 HA ARG A 86 -4.180 13.613 -6.080 1.00 0.31 H new ATOM 0 HB2 ARG A 86 -2.430 13.275 -4.404 1.00 0.33 H new ATOM 0 HB3 ARG A 86 -2.444 11.545 -4.686 1.00 0.33 H new ATOM 0 HG2 ARG A 86 -1.511 11.824 -6.905 1.00 0.75 H new ATOM 0 HG3 ARG A 86 -1.695 13.565 -6.823 1.00 0.75 H new ATOM 0 HD2 ARG A 86 -0.027 13.774 -5.115 1.00 0.72 H new ATOM 0 HD3 ARG A 86 -0.046 12.055 -4.773 1.00 0.72 H new ATOM 0 HE ARG A 86 0.749 12.182 -7.430 1.00 1.43 H new ATOM 0 HH11 ARG A 86 1.828 13.796 -4.477 1.00 1.44 H new ATOM 0 HH12 ARG A 86 3.529 13.789 -4.953 1.00 1.44 H new ATOM 0 HH21 ARG A 86 2.945 12.130 -8.019 1.00 2.56 H new ATOM 0 HH22 ARG A 86 4.161 12.847 -6.955 1.00 2.56 H new ATOM 1365 N ASN A 87 -4.482 10.361 -6.498 1.00 0.30 N ATOM 1366 CA ASN A 87 -4.831 9.337 -7.481 1.00 0.37 C ATOM 1367 C ASN A 87 -6.007 8.504 -6.975 1.00 0.34 C ATOM 1368 O ASN A 87 -5.814 7.473 -6.329 1.00 0.35 O ATOM 1369 CB ASN A 87 -3.641 8.415 -7.783 1.00 0.50 C ATOM 1370 CG ASN A 87 -2.492 9.131 -8.460 1.00 0.95 C ATOM 1371 OD1 ASN A 87 -1.521 9.571 -7.675 1.00 1.78 O flip ATOM 1372 ND2 ASN A 87 -2.464 9.269 -9.682 1.00 1.22 N flip ATOM 0 H ASN A 87 -4.417 10.015 -5.541 1.00 0.30 H new ATOM 0 HA ASN A 87 -5.110 9.846 -8.404 1.00 0.37 H new ATOM 0 HB2 ASN A 87 -3.287 7.972 -6.852 1.00 0.50 H new ATOM 0 HB3 ASN A 87 -3.976 7.596 -8.419 1.00 0.50 H new ATOM 0 HD21 ASN A 87 -3.232 8.916 -10.253 1.00 1.22 H new ATOM 0 HD22 ASN A 87 -1.673 9.736 -10.124 1.00 1.22 H new ATOM 1379 N PRO A 88 -7.245 8.949 -7.252 1.00 0.38 N ATOM 1380 CA PRO A 88 -8.464 8.305 -6.753 1.00 0.42 C ATOM 1381 C PRO A 88 -8.866 7.096 -7.589 1.00 0.49 C ATOM 1382 O PRO A 88 -10.046 6.881 -7.868 1.00 0.89 O ATOM 1383 CB PRO A 88 -9.531 9.408 -6.865 1.00 0.53 C ATOM 1384 CG PRO A 88 -8.854 10.603 -7.460 1.00 0.51 C ATOM 1385 CD PRO A 88 -7.566 10.122 -8.066 1.00 0.46 C ATOM 0 HA PRO A 88 -8.332 7.923 -5.741 1.00 0.42 H new ATOM 0 HB2 PRO A 88 -10.361 9.081 -7.492 1.00 0.53 H new ATOM 0 HB3 PRO A 88 -9.946 9.646 -5.886 1.00 0.53 H new ATOM 0 HG2 PRO A 88 -9.486 11.067 -8.217 1.00 0.51 H new ATOM 0 HG3 PRO A 88 -8.663 11.358 -6.697 1.00 0.51 H new ATOM 0 HD2 PRO A 88 -7.685 9.864 -9.118 1.00 0.46 H new ATOM 0 HD3 PRO A 88 -6.784 10.880 -8.010 1.00 0.46 H new ATOM 1393 N SER A 89 -7.889 6.282 -7.944 1.00 0.30 N ATOM 1394 CA SER A 89 -8.120 5.159 -8.833 1.00 0.36 C ATOM 1395 C SER A 89 -8.320 3.871 -8.046 1.00 0.34 C ATOM 1396 O SER A 89 -8.362 2.783 -8.615 1.00 0.42 O ATOM 1397 CB SER A 89 -6.938 5.023 -9.794 1.00 0.44 C ATOM 1398 OG SER A 89 -5.704 5.124 -9.097 1.00 1.37 O ATOM 0 H SER A 89 -6.924 6.379 -7.629 1.00 0.30 H new ATOM 0 HA SER A 89 -9.031 5.342 -9.403 1.00 0.36 H new ATOM 0 HB2 SER A 89 -6.992 4.064 -10.310 1.00 0.44 H new ATOM 0 HB3 SER A 89 -6.994 5.799 -10.557 1.00 0.44 H new ATOM 0 HG SER A 89 -5.523 4.282 -8.629 1.00 1.37 H new ATOM 1404 N TRP A 90 -8.455 4.000 -6.731 1.00 0.30 N ATOM 1405 CA TRP A 90 -8.547 2.840 -5.864 1.00 0.28 C ATOM 1406 C TRP A 90 -9.762 2.986 -4.965 1.00 0.32 C ATOM 1407 O TRP A 90 -9.979 2.209 -4.032 1.00 0.33 O ATOM 1408 CB TRP A 90 -7.270 2.706 -5.041 1.00 0.29 C ATOM 1409 CG TRP A 90 -6.023 2.938 -5.848 1.00 0.30 C ATOM 1410 CD1 TRP A 90 -5.177 4.006 -5.757 1.00 0.35 C ATOM 1411 CD2 TRP A 90 -5.497 2.100 -6.888 1.00 0.30 C ATOM 1412 NE1 TRP A 90 -4.150 3.876 -6.657 1.00 0.38 N ATOM 1413 CE2 TRP A 90 -4.324 2.717 -7.365 1.00 0.35 C ATOM 1414 CE3 TRP A 90 -5.897 0.888 -7.455 1.00 0.29 C ATOM 1415 CZ2 TRP A 90 -3.552 2.162 -8.382 1.00 0.39 C ATOM 1416 CZ3 TRP A 90 -5.132 0.339 -8.466 1.00 0.34 C ATOM 1417 CH2 TRP A 90 -3.970 0.975 -8.919 1.00 0.38 C ATOM 0 H TRP A 90 -8.503 4.896 -6.246 1.00 0.30 H new ATOM 0 HA TRP A 90 -8.660 1.936 -6.462 1.00 0.28 H new ATOM 0 HB2 TRP A 90 -7.300 3.418 -4.216 1.00 0.29 H new ATOM 0 HB3 TRP A 90 -7.231 1.710 -4.601 1.00 0.29 H new ATOM 0 HD1 TRP A 90 -5.299 4.834 -5.074 1.00 0.35 H new ATOM 0 HE1 TRP A 90 -3.382 4.536 -6.779 1.00 0.38 H new ATOM 0 HE3 TRP A 90 -6.790 0.388 -7.109 1.00 0.29 H new ATOM 0 HZ2 TRP A 90 -2.656 2.651 -8.734 1.00 0.39 H new ATOM 0 HZ3 TRP A 90 -5.435 -0.596 -8.914 1.00 0.34 H new ATOM 0 HH2 TRP A 90 -3.391 0.519 -9.709 1.00 0.38 H new ATOM 1428 N LYS A 91 -10.555 3.997 -5.288 1.00 0.37 N ATOM 1429 CA LYS A 91 -11.806 4.283 -4.609 1.00 0.43 C ATOM 1430 C LYS A 91 -12.768 3.083 -4.676 1.00 0.41 C ATOM 1431 O LYS A 91 -13.425 2.773 -3.682 1.00 0.42 O ATOM 1432 CB LYS A 91 -12.430 5.530 -5.244 1.00 0.55 C ATOM 1433 CG LYS A 91 -13.571 6.153 -4.460 1.00 1.20 C ATOM 1434 CD LYS A 91 -13.930 7.512 -5.040 1.00 1.38 C ATOM 1435 CE LYS A 91 -14.993 8.225 -4.224 1.00 1.83 C ATOM 1436 NZ LYS A 91 -15.206 9.613 -4.709 1.00 2.61 N ATOM 0 H LYS A 91 -10.342 4.651 -6.041 1.00 0.37 H new ATOM 0 HA LYS A 91 -11.611 4.469 -3.553 1.00 0.43 H new ATOM 0 HB2 LYS A 91 -11.650 6.280 -5.377 1.00 0.55 H new ATOM 0 HB3 LYS A 91 -12.793 5.269 -6.238 1.00 0.55 H new ATOM 0 HG2 LYS A 91 -14.441 5.497 -4.488 1.00 1.20 H new ATOM 0 HG3 LYS A 91 -13.286 6.261 -3.413 1.00 1.20 H new ATOM 0 HD2 LYS A 91 -13.035 8.132 -5.087 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -14.285 7.386 -6.063 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -15.930 7.670 -4.280 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -14.696 8.246 -3.175 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -15.938 10.074 -4.132 1.00 2.61 H new ATOM 0 HZ2 LYS A 91 -14.317 10.148 -4.633 1.00 2.61 H new ATOM 0 HZ3 LYS A 91 -15.512 9.590 -5.703 1.00 2.61 H new ATOM 1450 N PRO A 92 -12.879 2.384 -5.841 1.00 0.41 N ATOM 1451 CA PRO A 92 -13.684 1.155 -5.947 1.00 0.42 C ATOM 1452 C PRO A 92 -13.257 0.057 -4.976 1.00 0.38 C ATOM 1453 O PRO A 92 -14.063 -0.788 -4.588 1.00 0.48 O ATOM 1454 CB PRO A 92 -13.460 0.691 -7.388 1.00 0.46 C ATOM 1455 CG PRO A 92 -13.079 1.919 -8.129 1.00 0.69 C ATOM 1456 CD PRO A 92 -12.303 2.758 -7.154 1.00 0.43 C ATOM 0 HA PRO A 92 -14.726 1.356 -5.697 1.00 0.42 H new ATOM 0 HB2 PRO A 92 -12.675 -0.063 -7.443 1.00 0.46 H new ATOM 0 HB3 PRO A 92 -14.362 0.243 -7.804 1.00 0.46 H new ATOM 0 HG2 PRO A 92 -12.476 1.677 -9.004 1.00 0.69 H new ATOM 0 HG3 PRO A 92 -13.961 2.450 -8.487 1.00 0.69 H new ATOM 0 HD2 PRO A 92 -11.235 2.543 -7.200 1.00 0.43 H new ATOM 0 HD3 PRO A 92 -12.423 3.822 -7.356 1.00 0.43 H new ATOM 1464 N LEU A 93 -11.996 0.076 -4.585 1.00 0.30 N ATOM 1465 CA LEU A 93 -11.448 -0.965 -3.727 1.00 0.26 C ATOM 1466 C LEU A 93 -11.747 -0.666 -2.275 1.00 0.22 C ATOM 1467 O LEU A 93 -12.295 -1.498 -1.551 1.00 0.21 O ATOM 1468 CB LEU A 93 -9.943 -1.057 -3.933 1.00 0.25 C ATOM 1469 CG LEU A 93 -9.526 -1.160 -5.390 1.00 0.25 C ATOM 1470 CD1 LEU A 93 -8.020 -1.028 -5.525 1.00 0.26 C ATOM 1471 CD2 LEU A 93 -9.997 -2.478 -5.976 1.00 0.26 C ATOM 0 H LEU A 93 -11.329 0.801 -4.847 1.00 0.30 H new ATOM 0 HA LEU A 93 -11.911 -1.916 -3.990 1.00 0.26 H new ATOM 0 HB2 LEU A 93 -9.471 -0.179 -3.492 1.00 0.25 H new ATOM 0 HB3 LEU A 93 -9.565 -1.926 -3.395 1.00 0.25 H new ATOM 0 HG LEU A 93 -9.991 -0.344 -5.943 1.00 0.25 H new ATOM 0 HD11 LEU A 93 -7.741 -1.104 -6.576 1.00 0.26 H new ATOM 0 HD12 LEU A 93 -7.703 -0.061 -5.135 1.00 0.26 H new ATOM 0 HD13 LEU A 93 -7.533 -1.824 -4.961 1.00 0.26 H new ATOM 0 HD21 LEU A 93 -9.693 -2.541 -7.021 1.00 0.26 H new ATOM 0 HD22 LEU A 93 -9.554 -3.303 -5.418 1.00 0.26 H new ATOM 0 HD23 LEU A 93 -11.083 -2.538 -5.910 1.00 0.26 H new ATOM 1483 N ILE A 94 -11.379 0.527 -1.855 1.00 0.27 N ATOM 1484 CA ILE A 94 -11.589 0.937 -0.486 1.00 0.22 C ATOM 1485 C ILE A 94 -12.891 1.722 -0.365 1.00 0.27 C ATOM 1486 O ILE A 94 -13.867 1.418 -1.045 1.00 0.36 O ATOM 1487 CB ILE A 94 -10.407 1.776 0.037 1.00 0.25 C ATOM 1488 CG1 ILE A 94 -10.287 3.100 -0.702 1.00 0.39 C ATOM 1489 CG2 ILE A 94 -9.106 1.003 -0.106 1.00 0.27 C ATOM 1490 CD1 ILE A 94 -9.314 4.026 -0.034 1.00 0.75 C ATOM 0 H ILE A 94 -10.932 1.229 -2.445 1.00 0.27 H new ATOM 0 HA ILE A 94 -11.657 0.038 0.127 1.00 0.22 H new ATOM 0 HB ILE A 94 -10.599 1.985 1.089 1.00 0.25 H new ATOM 0 HG12 ILE A 94 -9.968 2.916 -1.728 1.00 0.39 H new ATOM 0 HG13 ILE A 94 -11.266 3.577 -0.754 1.00 0.39 H new ATOM 0 HG21 ILE A 94 -8.280 1.608 0.268 1.00 0.27 H new ATOM 0 HG22 ILE A 94 -9.167 0.079 0.468 1.00 0.27 H new ATOM 0 HG23 ILE A 94 -8.937 0.767 -1.157 1.00 0.27 H new ATOM 0 HD11 ILE A 94 -9.258 4.960 -0.593 1.00 0.75 H new ATOM 0 HD12 ILE A 94 -9.647 4.232 0.983 1.00 0.75 H new ATOM 0 HD13 ILE A 94 -8.329 3.560 -0.006 1.00 0.75 H new ATOM 1502 N HIS A 95 -12.918 2.712 0.510 1.00 0.31 N ATOM 1503 CA HIS A 95 -14.111 3.514 0.691 1.00 0.43 C ATOM 1504 C HIS A 95 -14.008 4.854 -0.046 1.00 0.39 C ATOM 1505 O HIS A 95 -15.003 5.324 -0.588 1.00 0.55 O ATOM 1506 CB HIS A 95 -14.411 3.672 2.180 1.00 0.64 C ATOM 1507 CG HIS A 95 -14.986 2.412 2.780 1.00 1.05 C ATOM 1508 ND1 HIS A 95 -16.070 2.397 3.631 1.00 2.01 N ATOM 1509 CD2 HIS A 95 -14.624 1.113 2.625 1.00 1.22 C ATOM 1510 CE1 HIS A 95 -16.348 1.149 3.967 1.00 2.24 C ATOM 1511 NE2 HIS A 95 -15.485 0.352 3.371 1.00 1.70 N ATOM 0 H HIS A 95 -12.131 2.977 1.102 1.00 0.31 H new ATOM 0 HA HIS A 95 -14.958 2.996 0.240 1.00 0.43 H new ATOM 0 HB2 HIS A 95 -13.495 3.939 2.708 1.00 0.64 H new ATOM 0 HB3 HIS A 95 -15.112 4.494 2.323 1.00 0.64 H new ATOM 0 HD2 HIS A 95 -13.806 0.746 2.023 1.00 1.22 H new ATOM 0 HE1 HIS A 95 -17.149 0.835 4.621 1.00 2.24 H new ATOM 0 HE2 HIS A 95 -15.462 -0.665 3.452 1.00 1.70 H new ATOM 1520 N SER A 96 -12.815 5.477 -0.058 1.00 0.41 N ATOM 1521 CA SER A 96 -12.547 6.591 -0.975 1.00 0.49 C ATOM 1522 C SER A 96 -11.080 7.018 -0.899 1.00 0.67 C ATOM 1523 O SER A 96 -10.240 6.474 -1.611 1.00 1.53 O ATOM 1524 CB SER A 96 -13.475 7.772 -0.669 1.00 0.51 C ATOM 1525 OG SER A 96 -13.477 8.722 -1.716 1.00 1.43 O ATOM 0 H SER A 96 -12.034 5.230 0.549 1.00 0.41 H new ATOM 0 HA SER A 96 -12.746 6.253 -1.992 1.00 0.49 H new ATOM 0 HB2 SER A 96 -14.489 7.406 -0.508 1.00 0.51 H new ATOM 0 HB3 SER A 96 -13.159 8.252 0.257 1.00 0.51 H new ATOM 0 HG SER A 96 -12.601 8.725 -2.156 1.00 1.43 H new ATOM 1531 N GLU A 97 -10.771 7.980 -0.035 1.00 0.58 N ATOM 1532 CA GLU A 97 -9.401 8.398 0.169 1.00 0.52 C ATOM 1533 C GLU A 97 -8.912 7.838 1.499 1.00 0.61 C ATOM 1534 O GLU A 97 -8.767 6.629 1.661 1.00 0.83 O ATOM 1535 CB GLU A 97 -9.295 9.924 0.149 1.00 0.47 C ATOM 1536 CG GLU A 97 -9.393 10.543 -1.240 1.00 1.09 C ATOM 1537 CD GLU A 97 -10.805 10.628 -1.778 1.00 1.52 C ATOM 1538 OE1 GLU A 97 -11.479 11.646 -1.523 1.00 1.79 O ATOM 1539 OE2 GLU A 97 -11.243 9.691 -2.469 1.00 1.89 O ATOM 0 H GLU A 97 -11.455 8.481 0.532 1.00 0.58 H new ATOM 0 HA GLU A 97 -8.776 8.015 -0.638 1.00 0.52 H new ATOM 0 HB2 GLU A 97 -10.085 10.339 0.775 1.00 0.47 H new ATOM 0 HB3 GLU A 97 -8.346 10.216 0.598 1.00 0.47 H new ATOM 0 HG2 GLU A 97 -8.965 11.545 -1.211 1.00 1.09 H new ATOM 0 HG3 GLU A 97 -8.787 9.958 -1.931 1.00 1.09 H new