USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=29 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 55 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 78 TYR OH : rot 30:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -118:sc=-0.00561 (180deg=-0.317) USER MOD Single : A 11 ASN : amide:sc= -3.1! C(o=-3.1!,f=-5.2!) USER MOD Single : A 14 LYS NZ :NH3+ 168:sc=-0.00646 (180deg=-0.178) USER MOD Single : A 19 THR OG1 : rot -118:sc= 1.13 USER MOD Single : A 22 HIS : no HE2:sc= 1.12 K(o=1.1,f=-5.5!) USER MOD Single : A 28 TYR OH : rot 130:sc= 0.681 USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= 1.27 (180deg=1.01) USER MOD Single : A 30 MET CE :methyl -163:sc= -0.204 (180deg=-0.805) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 33 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.51) USER MOD Single : A 35 LYS NZ :NH3+ 159:sc= -0.0837 (180deg=-0.413) USER MOD Single : A 37 MET CE :methyl -106:sc= -0.0404 (180deg=-3.09!) USER MOD Single : A 41 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.00072) USER MOD Single : A 42 THR OG1 : rot 114:sc= -0.812 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+ 154:sc= 0.87 (180deg=-0.67!) USER MOD Single : A 56 HIS : no HD1:sc= -1.17 K(o=-1.2,f=0) USER MOD Single : A 58 CYS SG : rot -74:sc= -1.88! USER MOD Single : A 64 HIS : no HE2:sc= 1.03 K(o=1,f=-4.6!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 98:sc= 1.29 USER MOD Single : A 68 HIS : no HD1:sc= -1.03 K(o=-1,f=-0.2) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 101:sc= 1.07 USER MOD Single : A 76 CYS SG : rot 32:sc= -6.29! USER MOD Single : A 77 SER OG : rot 180:sc= 0.00336 USER MOD Single : A 80 SER OG : rot 180:sc= -3.5! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 1.05 K(o=1,f=-2.8!) USER MOD Single : A 89 SER OG : rot -38:sc= 0.067 USER MOD Single : A 91 LYS NZ :NH3+ -172:sc= -0.0098 (180deg=-0.104) USER MOD Single : A 95 HIS : no HD1:sc=-0.00556 X(o=-0.0056,f=-0.14) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 73 N PRO A 6 11.738 1.486 -9.362 1.00 0.66 N ATOM 74 CA PRO A 6 11.287 0.812 -8.142 1.00 0.47 C ATOM 75 C PRO A 6 10.966 -0.658 -8.380 1.00 0.48 C ATOM 76 O PRO A 6 10.335 -1.017 -9.379 1.00 0.62 O ATOM 77 CB PRO A 6 10.027 1.586 -7.752 1.00 0.59 C ATOM 78 CG PRO A 6 9.542 2.176 -9.020 1.00 0.87 C ATOM 79 CD PRO A 6 10.778 2.529 -9.779 1.00 0.84 C ATOM 0 HA PRO A 6 12.054 0.811 -7.367 1.00 0.47 H new ATOM 0 HB2 PRO A 6 9.279 0.928 -7.310 1.00 0.59 H new ATOM 0 HB3 PRO A 6 10.248 2.358 -7.015 1.00 0.59 H new ATOM 0 HG2 PRO A 6 8.927 1.468 -9.575 1.00 0.87 H new ATOM 0 HG3 PRO A 6 8.927 3.057 -8.836 1.00 0.87 H new ATOM 0 HD2 PRO A 6 10.608 2.513 -10.856 1.00 0.84 H new ATOM 0 HD3 PRO A 6 11.134 3.528 -9.527 1.00 0.84 H new ATOM 87 N LYS A 7 11.399 -1.505 -7.459 1.00 0.45 N ATOM 88 CA LYS A 7 11.217 -2.936 -7.599 1.00 0.52 C ATOM 89 C LYS A 7 10.699 -3.497 -6.292 1.00 0.42 C ATOM 90 O LYS A 7 11.459 -3.715 -5.351 1.00 0.42 O ATOM 91 CB LYS A 7 12.537 -3.614 -7.986 1.00 0.65 C ATOM 92 CG LYS A 7 12.360 -4.838 -8.877 1.00 1.24 C ATOM 93 CD LYS A 7 12.679 -4.525 -10.335 1.00 1.37 C ATOM 94 CE LYS A 7 11.824 -3.389 -10.889 1.00 1.70 C ATOM 95 NZ LYS A 7 10.393 -3.769 -11.008 1.00 2.49 N ATOM 0 H LYS A 7 11.880 -1.222 -6.605 1.00 0.45 H new ATOM 0 HA LYS A 7 10.495 -3.132 -8.392 1.00 0.52 H new ATOM 0 HB2 LYS A 7 13.170 -2.890 -8.500 1.00 0.65 H new ATOM 0 HB3 LYS A 7 13.063 -3.910 -7.078 1.00 0.65 H new ATOM 0 HG2 LYS A 7 13.009 -5.640 -8.527 1.00 1.24 H new ATOM 0 HG3 LYS A 7 11.335 -5.200 -8.798 1.00 1.24 H new ATOM 0 HD2 LYS A 7 13.732 -4.259 -10.424 1.00 1.37 H new ATOM 0 HD3 LYS A 7 12.524 -5.420 -10.938 1.00 1.37 H new ATOM 0 HE2 LYS A 7 11.914 -2.519 -10.239 1.00 1.70 H new ATOM 0 HE3 LYS A 7 12.203 -3.096 -11.868 1.00 1.70 H new ATOM 0 HZ1 LYS A 7 10.104 -3.725 -12.006 1.00 2.49 H new ATOM 0 HZ2 LYS A 7 10.260 -4.737 -10.652 1.00 2.49 H new ATOM 0 HZ3 LYS A 7 9.812 -3.112 -10.450 1.00 2.49 H new ATOM 109 N ILE A 8 9.401 -3.706 -6.227 1.00 0.41 N ATOM 110 CA ILE A 8 8.771 -4.080 -4.980 1.00 0.34 C ATOM 111 C ILE A 8 8.660 -5.592 -4.875 1.00 0.36 C ATOM 112 O ILE A 8 8.039 -6.245 -5.717 1.00 0.48 O ATOM 113 CB ILE A 8 7.374 -3.443 -4.841 1.00 0.45 C ATOM 114 CG1 ILE A 8 7.419 -1.959 -5.218 1.00 0.72 C ATOM 115 CG2 ILE A 8 6.869 -3.611 -3.418 1.00 0.36 C ATOM 116 CD1 ILE A 8 8.271 -1.111 -4.298 1.00 0.39 C ATOM 0 H ILE A 8 8.764 -3.624 -7.020 1.00 0.41 H new ATOM 0 HA ILE A 8 9.398 -3.707 -4.170 1.00 0.34 H new ATOM 0 HB ILE A 8 6.689 -3.948 -5.522 1.00 0.45 H new ATOM 0 HG12 ILE A 8 7.799 -1.865 -6.235 1.00 0.72 H new ATOM 0 HG13 ILE A 8 6.403 -1.565 -5.220 1.00 0.72 H new ATOM 0 HG21 ILE A 8 5.881 -3.159 -3.327 1.00 0.36 H new ATOM 0 HG22 ILE A 8 6.806 -4.672 -3.177 1.00 0.36 H new ATOM 0 HG23 ILE A 8 7.557 -3.123 -2.728 1.00 0.36 H new ATOM 0 HD11 ILE A 8 8.249 -0.074 -4.635 1.00 0.39 H new ATOM 0 HD12 ILE A 8 7.880 -1.171 -3.282 1.00 0.39 H new ATOM 0 HD13 ILE A 8 9.298 -1.476 -4.314 1.00 0.39 H new ATOM 128 N VAL A 9 9.266 -6.140 -3.840 1.00 0.31 N ATOM 129 CA VAL A 9 9.293 -7.574 -3.644 1.00 0.36 C ATOM 130 C VAL A 9 8.131 -8.003 -2.774 1.00 0.34 C ATOM 131 O VAL A 9 8.011 -7.582 -1.623 1.00 0.47 O ATOM 132 CB VAL A 9 10.616 -8.026 -2.999 1.00 0.41 C ATOM 133 CG1 VAL A 9 10.646 -9.539 -2.813 1.00 0.89 C ATOM 134 CG2 VAL A 9 11.784 -7.567 -3.847 1.00 0.86 C ATOM 0 H VAL A 9 9.750 -5.608 -3.117 1.00 0.31 H new ATOM 0 HA VAL A 9 9.210 -8.046 -4.623 1.00 0.36 H new ATOM 0 HB VAL A 9 10.695 -7.570 -2.012 1.00 0.41 H new ATOM 0 HG11 VAL A 9 11.591 -9.831 -2.356 1.00 0.89 H new ATOM 0 HG12 VAL A 9 9.822 -9.843 -2.168 1.00 0.89 H new ATOM 0 HG13 VAL A 9 10.546 -10.027 -3.783 1.00 0.89 H new ATOM 0 HG21 VAL A 9 12.717 -7.890 -3.386 1.00 0.86 H new ATOM 0 HG22 VAL A 9 11.703 -8.001 -4.844 1.00 0.86 H new ATOM 0 HG23 VAL A 9 11.774 -6.480 -3.923 1.00 0.86 H new ATOM 144 N TRP A 10 7.270 -8.826 -3.330 1.00 0.33 N ATOM 145 CA TRP A 10 6.107 -9.288 -2.614 1.00 0.31 C ATOM 146 C TRP A 10 6.477 -10.469 -1.734 1.00 0.34 C ATOM 147 O TRP A 10 6.701 -11.582 -2.216 1.00 0.42 O ATOM 148 CB TRP A 10 5.005 -9.662 -3.601 1.00 0.38 C ATOM 149 CG TRP A 10 3.730 -10.116 -2.952 1.00 0.41 C ATOM 150 CD1 TRP A 10 3.292 -9.812 -1.694 1.00 0.40 C ATOM 151 CD2 TRP A 10 2.717 -10.937 -3.541 1.00 0.50 C ATOM 152 NE1 TRP A 10 2.078 -10.401 -1.460 1.00 0.46 N ATOM 153 CE2 TRP A 10 1.700 -11.096 -2.580 1.00 0.52 C ATOM 154 CE3 TRP A 10 2.571 -11.553 -4.786 1.00 0.60 C ATOM 155 CZ2 TRP A 10 0.556 -11.847 -2.829 1.00 0.62 C ATOM 156 CZ3 TRP A 10 1.434 -12.298 -5.030 1.00 0.71 C ATOM 157 CH2 TRP A 10 0.439 -12.438 -4.055 1.00 0.72 C ATOM 0 H TRP A 10 7.356 -9.189 -4.279 1.00 0.33 H new ATOM 0 HA TRP A 10 5.734 -8.489 -1.973 1.00 0.31 H new ATOM 0 HB2 TRP A 10 4.791 -8.801 -4.234 1.00 0.38 H new ATOM 0 HB3 TRP A 10 5.370 -10.455 -4.254 1.00 0.38 H new ATOM 0 HD1 TRP A 10 3.826 -9.196 -0.986 1.00 0.40 H new ATOM 0 HE1 TRP A 10 1.543 -10.334 -0.594 1.00 0.46 H new ATOM 0 HE3 TRP A 10 3.333 -11.449 -5.544 1.00 0.60 H new ATOM 0 HZ2 TRP A 10 -0.213 -11.959 -2.079 1.00 0.62 H new ATOM 0 HZ3 TRP A 10 1.310 -12.780 -5.988 1.00 0.71 H new ATOM 0 HH2 TRP A 10 -0.440 -13.026 -4.277 1.00 0.72 H new ATOM 168 N ASN A 11 6.552 -10.215 -0.442 1.00 0.34 N ATOM 169 CA ASN A 11 6.804 -11.256 0.522 1.00 0.43 C ATOM 170 C ASN A 11 5.466 -11.882 0.881 1.00 0.45 C ATOM 171 O ASN A 11 4.910 -11.629 1.950 1.00 0.46 O ATOM 172 CB ASN A 11 7.496 -10.673 1.762 1.00 0.47 C ATOM 173 CG ASN A 11 8.117 -11.712 2.686 1.00 0.63 C ATOM 174 OD1 ASN A 11 9.066 -11.413 3.411 1.00 1.39 O ATOM 175 ND2 ASN A 11 7.596 -12.926 2.681 1.00 1.08 N ATOM 0 H ASN A 11 6.440 -9.285 -0.038 1.00 0.34 H new ATOM 0 HA ASN A 11 7.468 -12.015 0.110 1.00 0.43 H new ATOM 0 HB2 ASN A 11 8.274 -9.983 1.437 1.00 0.47 H new ATOM 0 HB3 ASN A 11 6.769 -10.090 2.328 1.00 0.47 H new ATOM 0 HD21 ASN A 11 7.980 -13.648 3.290 1.00 1.08 H new ATOM 0 HD22 ASN A 11 6.810 -13.141 2.068 1.00 1.08 H new ATOM 182 N GLU A 12 4.942 -12.671 -0.046 1.00 0.53 N ATOM 183 CA GLU A 12 3.623 -13.276 0.093 1.00 0.59 C ATOM 184 C GLU A 12 3.554 -14.200 1.299 1.00 0.62 C ATOM 185 O GLU A 12 2.477 -14.456 1.834 1.00 0.65 O ATOM 186 CB GLU A 12 3.224 -14.018 -1.187 1.00 0.76 C ATOM 187 CG GLU A 12 4.394 -14.503 -2.034 1.00 1.09 C ATOM 188 CD GLU A 12 5.307 -15.462 -1.303 1.00 1.43 C ATOM 189 OE1 GLU A 12 4.962 -16.655 -1.188 1.00 1.71 O ATOM 190 OE2 GLU A 12 6.375 -15.023 -0.835 1.00 1.92 O ATOM 0 H GLU A 12 5.418 -12.910 -0.916 1.00 0.53 H new ATOM 0 HA GLU A 12 2.909 -12.469 0.257 1.00 0.59 H new ATOM 0 HB2 GLU A 12 2.609 -14.876 -0.916 1.00 0.76 H new ATOM 0 HB3 GLU A 12 2.603 -13.359 -1.794 1.00 0.76 H new ATOM 0 HG2 GLU A 12 4.008 -14.991 -2.929 1.00 1.09 H new ATOM 0 HG3 GLU A 12 4.974 -13.642 -2.366 1.00 1.09 H new ATOM 197 N GLY A 13 4.710 -14.675 1.736 1.00 0.65 N ATOM 198 CA GLY A 13 4.774 -15.499 2.926 1.00 0.73 C ATOM 199 C GLY A 13 4.354 -14.735 4.165 1.00 0.70 C ATOM 200 O GLY A 13 3.885 -15.320 5.140 1.00 0.80 O ATOM 0 H GLY A 13 5.609 -14.504 1.286 1.00 0.65 H new ATOM 0 HA2 GLY A 13 4.130 -16.369 2.800 1.00 0.73 H new ATOM 0 HA3 GLY A 13 5.790 -15.871 3.056 1.00 0.73 H new ATOM 204 N LYS A 14 4.508 -13.416 4.119 1.00 0.59 N ATOM 205 CA LYS A 14 4.135 -12.560 5.235 1.00 0.59 C ATOM 206 C LYS A 14 2.953 -11.682 4.856 1.00 0.51 C ATOM 207 O LYS A 14 2.500 -10.867 5.659 1.00 0.55 O ATOM 208 CB LYS A 14 5.305 -11.666 5.644 1.00 0.61 C ATOM 209 CG LYS A 14 6.607 -12.409 5.884 1.00 0.86 C ATOM 210 CD LYS A 14 6.477 -13.458 6.977 1.00 1.21 C ATOM 211 CE LYS A 14 7.793 -14.178 7.211 1.00 1.26 C ATOM 212 NZ LYS A 14 8.830 -13.267 7.759 1.00 1.79 N ATOM 0 H LYS A 14 4.890 -12.916 3.316 1.00 0.59 H new ATOM 0 HA LYS A 14 3.862 -13.202 6.072 1.00 0.59 H new ATOM 0 HB2 LYS A 14 5.465 -10.919 4.866 1.00 0.61 H new ATOM 0 HB3 LYS A 14 5.035 -11.128 6.553 1.00 0.61 H new ATOM 0 HG2 LYS A 14 6.925 -12.889 4.958 1.00 0.86 H new ATOM 0 HG3 LYS A 14 7.385 -11.696 6.158 1.00 0.86 H new ATOM 0 HD2 LYS A 14 6.150 -12.983 7.902 1.00 1.21 H new ATOM 0 HD3 LYS A 14 5.709 -14.180 6.701 1.00 1.21 H new ATOM 0 HE2 LYS A 14 7.636 -15.007 7.901 1.00 1.26 H new ATOM 0 HE3 LYS A 14 8.145 -14.607 6.273 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 9.641 -13.826 8.094 1.00 1.79 H new ATOM 0 HZ2 LYS A 14 9.145 -12.612 7.015 1.00 1.79 H new ATOM 0 HZ3 LYS A 14 8.432 -12.725 8.552 1.00 1.79 H new ATOM 226 N ARG A 15 2.466 -11.861 3.630 1.00 0.45 N ATOM 227 CA ARG A 15 1.414 -11.013 3.072 1.00 0.44 C ATOM 228 C ARG A 15 1.849 -9.556 3.114 1.00 0.37 C ATOM 229 O ARG A 15 1.181 -8.704 3.703 1.00 0.52 O ATOM 230 CB ARG A 15 0.097 -11.212 3.829 1.00 0.56 C ATOM 231 CG ARG A 15 -0.377 -12.648 3.793 1.00 0.66 C ATOM 232 CD ARG A 15 -1.656 -12.861 4.584 1.00 0.87 C ATOM 233 NE ARG A 15 -2.163 -14.222 4.406 1.00 1.83 N ATOM 234 CZ ARG A 15 -2.437 -15.064 5.402 1.00 2.36 C ATOM 235 NH1 ARG A 15 -2.293 -14.683 6.667 1.00 2.32 N ATOM 236 NH2 ARG A 15 -2.855 -16.293 5.125 1.00 3.42 N ATOM 0 H ARG A 15 2.787 -12.594 2.998 1.00 0.45 H new ATOM 0 HA ARG A 15 1.246 -11.298 2.033 1.00 0.44 H new ATOM 0 HB2 ARG A 15 0.226 -10.901 4.866 1.00 0.56 H new ATOM 0 HB3 ARG A 15 -0.669 -10.568 3.396 1.00 0.56 H new ATOM 0 HG2 ARG A 15 -0.541 -12.947 2.758 1.00 0.66 H new ATOM 0 HG3 ARG A 15 0.404 -13.295 4.192 1.00 0.66 H new ATOM 0 HD2 ARG A 15 -1.469 -12.674 5.641 1.00 0.87 H new ATOM 0 HD3 ARG A 15 -2.410 -12.143 4.262 1.00 0.87 H new ATOM 0 HE ARG A 15 -2.318 -14.549 3.452 1.00 1.83 H new ATOM 0 HH11 ARG A 15 -1.970 -13.739 6.882 1.00 2.32 H new ATOM 0 HH12 ARG A 15 -2.505 -15.334 7.423 1.00 2.32 H new ATOM 0 HH21 ARG A 15 -2.965 -16.588 4.155 1.00 3.42 H new ATOM 0 HH22 ARG A 15 -3.066 -16.943 5.882 1.00 3.42 H new ATOM 250 N ARG A 16 2.988 -9.280 2.495 1.00 0.27 N ATOM 251 CA ARG A 16 3.562 -7.947 2.531 1.00 0.24 C ATOM 252 C ARG A 16 4.407 -7.659 1.299 1.00 0.23 C ATOM 253 O ARG A 16 4.750 -8.564 0.550 1.00 0.29 O ATOM 254 CB ARG A 16 4.426 -7.811 3.779 1.00 0.33 C ATOM 255 CG ARG A 16 5.674 -8.674 3.757 1.00 0.55 C ATOM 256 CD ARG A 16 6.672 -8.228 4.810 1.00 0.68 C ATOM 257 NE ARG A 16 7.960 -8.901 4.662 1.00 0.91 N ATOM 258 CZ ARG A 16 9.131 -8.264 4.605 1.00 1.02 C ATOM 259 NH1 ARG A 16 9.174 -6.942 4.694 1.00 1.02 N ATOM 260 NH2 ARG A 16 10.257 -8.951 4.460 1.00 1.86 N ATOM 0 H ARG A 16 3.530 -9.961 1.964 1.00 0.27 H new ATOM 0 HA ARG A 16 2.744 -7.227 2.549 1.00 0.24 H new ATOM 0 HB2 ARG A 16 4.719 -6.768 3.895 1.00 0.33 H new ATOM 0 HB3 ARG A 16 3.830 -8.073 4.653 1.00 0.33 H new ATOM 0 HG2 ARG A 16 5.402 -9.715 3.929 1.00 0.55 H new ATOM 0 HG3 ARG A 16 6.136 -8.624 2.771 1.00 0.55 H new ATOM 0 HD2 ARG A 16 6.816 -7.150 4.740 1.00 0.68 H new ATOM 0 HD3 ARG A 16 6.268 -8.432 5.802 1.00 0.68 H new ATOM 0 HE ARG A 16 7.964 -9.919 4.598 1.00 0.91 H new ATOM 0 HH11 ARG A 16 8.311 -6.410 4.806 1.00 1.02 H new ATOM 0 HH12 ARG A 16 10.070 -6.457 4.650 1.00 1.02 H new ATOM 0 HH21 ARG A 16 10.229 -9.968 4.392 1.00 1.86 H new ATOM 0 HH22 ARG A 16 11.151 -8.462 4.417 1.00 1.86 H new ATOM 274 N PHE A 17 4.745 -6.393 1.112 1.00 0.23 N ATOM 275 CA PHE A 17 5.645 -5.978 0.045 1.00 0.24 C ATOM 276 C PHE A 17 6.863 -5.291 0.647 1.00 0.30 C ATOM 277 O PHE A 17 6.775 -4.708 1.726 1.00 0.55 O ATOM 278 CB PHE A 17 4.956 -5.008 -0.922 1.00 0.28 C ATOM 279 CG PHE A 17 3.693 -5.534 -1.539 1.00 0.29 C ATOM 280 CD1 PHE A 17 3.745 -6.417 -2.603 1.00 0.33 C ATOM 281 CD2 PHE A 17 2.456 -5.148 -1.055 1.00 0.34 C ATOM 282 CE1 PHE A 17 2.587 -6.905 -3.174 1.00 0.39 C ATOM 283 CE2 PHE A 17 1.296 -5.631 -1.623 1.00 0.40 C ATOM 284 CZ PHE A 17 1.353 -6.503 -2.675 1.00 0.41 C ATOM 0 H PHE A 17 4.405 -5.626 1.692 1.00 0.23 H new ATOM 0 HA PHE A 17 5.943 -6.868 -0.509 1.00 0.24 H new ATOM 0 HB2 PHE A 17 4.728 -4.085 -0.389 1.00 0.28 H new ATOM 0 HB3 PHE A 17 5.655 -4.752 -1.718 1.00 0.28 H new ATOM 0 HD1 PHE A 17 4.703 -6.728 -2.991 1.00 0.33 H new ATOM 0 HD2 PHE A 17 2.398 -4.461 -0.224 1.00 0.34 H new ATOM 0 HE1 PHE A 17 2.639 -7.595 -4.003 1.00 0.39 H new ATOM 0 HE2 PHE A 17 0.338 -5.319 -1.235 1.00 0.40 H new ATOM 0 HZ PHE A 17 0.442 -6.878 -3.117 1.00 0.41 H new ATOM 294 N GLU A 18 7.991 -5.368 -0.037 1.00 0.22 N ATOM 295 CA GLU A 18 9.197 -4.680 0.395 1.00 0.25 C ATOM 296 C GLU A 18 9.894 -4.078 -0.807 1.00 0.29 C ATOM 297 O GLU A 18 10.147 -4.759 -1.793 1.00 0.39 O ATOM 298 CB GLU A 18 10.124 -5.640 1.142 1.00 0.34 C ATOM 299 CG GLU A 18 11.157 -4.942 2.006 1.00 1.08 C ATOM 300 CD GLU A 18 11.823 -5.888 2.980 1.00 0.96 C ATOM 301 OE1 GLU A 18 12.663 -6.706 2.548 1.00 0.85 O ATOM 302 OE2 GLU A 18 11.500 -5.824 4.183 1.00 1.16 O ATOM 0 H GLU A 18 8.098 -5.903 -0.899 1.00 0.22 H new ATOM 0 HA GLU A 18 8.927 -3.878 1.082 1.00 0.25 H new ATOM 0 HB2 GLU A 18 9.522 -6.297 1.770 1.00 0.34 H new ATOM 0 HB3 GLU A 18 10.637 -6.273 0.418 1.00 0.34 H new ATOM 0 HG2 GLU A 18 11.915 -4.488 1.367 1.00 1.08 H new ATOM 0 HG3 GLU A 18 10.679 -4.133 2.558 1.00 1.08 H new ATOM 309 N THR A 19 10.182 -2.790 -0.721 1.00 0.25 N ATOM 310 CA THR A 19 10.759 -2.057 -1.837 1.00 0.29 C ATOM 311 C THR A 19 12.160 -2.576 -2.162 1.00 0.35 C ATOM 312 O THR A 19 12.732 -3.374 -1.416 1.00 0.37 O ATOM 313 CB THR A 19 10.806 -0.539 -1.533 1.00 0.33 C ATOM 314 OG1 THR A 19 11.080 0.198 -2.732 1.00 0.46 O ATOM 315 CG2 THR A 19 11.852 -0.216 -0.480 1.00 0.37 C ATOM 0 H THR A 19 10.025 -2.227 0.115 1.00 0.25 H new ATOM 0 HA THR A 19 10.122 -2.215 -2.707 1.00 0.29 H new ATOM 0 HB THR A 19 9.831 -0.248 -1.143 1.00 0.33 H new ATOM 0 HG1 THR A 19 11.922 0.689 -2.629 1.00 0.46 H new ATOM 0 HG21 THR A 19 11.858 0.857 -0.291 1.00 0.37 H new ATOM 0 HG22 THR A 19 11.615 -0.746 0.443 1.00 0.37 H new ATOM 0 HG23 THR A 19 12.834 -0.528 -0.835 1.00 0.37 H new ATOM 323 N GLU A 20 12.715 -2.091 -3.265 1.00 0.43 N ATOM 324 CA GLU A 20 14.048 -2.482 -3.723 1.00 0.53 C ATOM 325 C GLU A 20 15.128 -2.065 -2.732 1.00 0.56 C ATOM 326 O GLU A 20 16.307 -2.382 -2.889 1.00 0.68 O ATOM 327 CB GLU A 20 14.316 -1.869 -5.101 1.00 0.62 C ATOM 328 CG GLU A 20 13.786 -0.446 -5.278 1.00 0.77 C ATOM 329 CD GLU A 20 14.310 0.535 -4.246 1.00 1.31 C ATOM 330 OE1 GLU A 20 15.462 0.990 -4.382 1.00 1.83 O ATOM 331 OE2 GLU A 20 13.561 0.860 -3.299 1.00 1.90 O ATOM 0 H GLU A 20 12.254 -1.413 -3.872 1.00 0.43 H new ATOM 0 HA GLU A 20 14.080 -3.569 -3.797 1.00 0.53 H new ATOM 0 HB2 GLU A 20 15.391 -1.867 -5.281 1.00 0.62 H new ATOM 0 HB3 GLU A 20 13.867 -2.507 -5.862 1.00 0.62 H new ATOM 0 HG2 GLU A 20 14.053 -0.090 -6.273 1.00 0.77 H new ATOM 0 HG3 GLU A 20 12.697 -0.465 -5.228 1.00 0.77 H new ATOM 338 N ASP A 21 14.693 -1.365 -1.712 1.00 0.52 N ATOM 339 CA ASP A 21 15.574 -0.829 -0.694 1.00 0.60 C ATOM 340 C ASP A 21 15.509 -1.696 0.554 1.00 0.54 C ATOM 341 O ASP A 21 16.423 -1.694 1.372 1.00 0.59 O ATOM 342 CB ASP A 21 15.153 0.609 -0.387 1.00 0.67 C ATOM 343 CG ASP A 21 16.152 1.374 0.447 1.00 0.97 C ATOM 344 OD1 ASP A 21 17.364 1.133 0.308 1.00 1.39 O ATOM 345 OD2 ASP A 21 15.720 2.272 1.198 1.00 1.31 O ATOM 0 H ASP A 21 13.708 -1.147 -1.561 1.00 0.52 H new ATOM 0 HA ASP A 21 16.605 -0.829 -1.049 1.00 0.60 H new ATOM 0 HB2 ASP A 21 14.996 1.140 -1.326 1.00 0.67 H new ATOM 0 HB3 ASP A 21 14.196 0.594 0.134 1.00 0.67 H new ATOM 350 N HIS A 22 14.403 -2.440 0.678 1.00 0.45 N ATOM 351 CA HIS A 22 14.164 -3.367 1.793 1.00 0.45 C ATOM 352 C HIS A 22 13.972 -2.642 3.125 1.00 0.44 C ATOM 353 O HIS A 22 13.541 -3.243 4.107 1.00 0.51 O ATOM 354 CB HIS A 22 15.288 -4.401 1.902 1.00 0.57 C ATOM 355 CG HIS A 22 15.299 -5.371 0.765 1.00 0.64 C ATOM 356 ND1 HIS A 22 14.518 -6.503 0.746 1.00 0.65 N ATOM 357 CD2 HIS A 22 15.990 -5.373 -0.398 1.00 0.74 C ATOM 358 CE1 HIS A 22 14.728 -7.164 -0.374 1.00 0.76 C ATOM 359 NE2 HIS A 22 15.616 -6.500 -1.087 1.00 0.82 N ATOM 0 H HIS A 22 13.641 -2.416 0.001 1.00 0.45 H new ATOM 0 HA HIS A 22 13.232 -3.886 1.571 1.00 0.45 H new ATOM 0 HB2 HIS A 22 16.247 -3.885 1.942 1.00 0.57 H new ATOM 0 HB3 HIS A 22 15.182 -4.948 2.839 1.00 0.57 H new ATOM 0 HD1 HIS A 22 13.875 -6.787 1.485 1.00 0.65 H new ATOM 0 HD2 HIS A 22 16.702 -4.628 -0.723 1.00 0.74 H new ATOM 0 HE1 HIS A 22 14.254 -8.091 -0.659 1.00 0.76 H new ATOM 368 N GLU A 23 14.286 -1.358 3.153 1.00 0.47 N ATOM 369 CA GLU A 23 14.072 -0.544 4.337 1.00 0.52 C ATOM 370 C GLU A 23 12.609 -0.141 4.415 1.00 0.40 C ATOM 371 O GLU A 23 12.059 0.070 5.496 1.00 0.49 O ATOM 372 CB GLU A 23 14.955 0.701 4.284 1.00 0.69 C ATOM 373 CG GLU A 23 16.437 0.392 4.172 1.00 0.84 C ATOM 374 CD GLU A 23 16.966 -0.346 5.384 1.00 1.51 C ATOM 375 OE1 GLU A 23 17.252 0.312 6.407 1.00 1.72 O ATOM 376 OE2 GLU A 23 17.110 -1.585 5.321 1.00 2.28 O ATOM 0 H GLU A 23 14.692 -0.855 2.364 1.00 0.47 H new ATOM 0 HA GLU A 23 14.335 -1.121 5.223 1.00 0.52 H new ATOM 0 HB2 GLU A 23 14.655 1.313 3.433 1.00 0.69 H new ATOM 0 HB3 GLU A 23 14.783 1.296 5.181 1.00 0.69 H new ATOM 0 HG2 GLU A 23 16.614 -0.208 3.279 1.00 0.84 H new ATOM 0 HG3 GLU A 23 16.991 1.322 4.046 1.00 0.84 H new ATOM 383 N ALA A 24 11.989 -0.051 3.251 1.00 0.29 N ATOM 384 CA ALA A 24 10.593 0.324 3.144 1.00 0.22 C ATOM 385 C ALA A 24 9.747 -0.887 2.785 1.00 0.17 C ATOM 386 O ALA A 24 10.131 -1.685 1.928 1.00 0.19 O ATOM 387 CB ALA A 24 10.432 1.414 2.100 1.00 0.26 C ATOM 0 H ALA A 24 12.440 -0.236 2.355 1.00 0.29 H new ATOM 0 HA ALA A 24 10.253 0.706 4.107 1.00 0.22 H new ATOM 0 HB1 ALA A 24 9.381 1.692 2.024 1.00 0.26 H new ATOM 0 HB2 ALA A 24 11.018 2.286 2.391 1.00 0.26 H new ATOM 0 HB3 ALA A 24 10.782 1.048 1.135 1.00 0.26 H new ATOM 393 N PHE A 25 8.598 -1.021 3.431 1.00 0.14 N ATOM 394 CA PHE A 25 7.749 -2.185 3.234 1.00 0.15 C ATOM 395 C PHE A 25 6.296 -1.862 3.565 1.00 0.15 C ATOM 396 O PHE A 25 6.001 -0.825 4.160 1.00 0.17 O ATOM 397 CB PHE A 25 8.245 -3.356 4.091 1.00 0.23 C ATOM 398 CG PHE A 25 8.231 -3.083 5.569 1.00 0.30 C ATOM 399 CD1 PHE A 25 9.252 -2.360 6.162 1.00 0.37 C ATOM 400 CD2 PHE A 25 7.195 -3.549 6.364 1.00 0.39 C ATOM 401 CE1 PHE A 25 9.243 -2.108 7.520 1.00 0.47 C ATOM 402 CE2 PHE A 25 7.181 -3.301 7.723 1.00 0.49 C ATOM 403 CZ PHE A 25 8.207 -2.580 8.301 1.00 0.52 C ATOM 0 H PHE A 25 8.233 -0.338 4.095 1.00 0.14 H new ATOM 0 HA PHE A 25 7.802 -2.472 2.184 1.00 0.15 H new ATOM 0 HB2 PHE A 25 7.625 -4.229 3.888 1.00 0.23 H new ATOM 0 HB3 PHE A 25 9.261 -3.609 3.789 1.00 0.23 H new ATOM 0 HD1 PHE A 25 10.065 -1.989 5.556 1.00 0.37 H new ATOM 0 HD2 PHE A 25 6.390 -4.112 5.916 1.00 0.39 H new ATOM 0 HE1 PHE A 25 10.045 -1.542 7.970 1.00 0.47 H new ATOM 0 HE2 PHE A 25 6.369 -3.670 8.332 1.00 0.49 H new ATOM 0 HZ PHE A 25 8.199 -2.385 9.363 1.00 0.52 H new ATOM 413 N ILE A 26 5.406 -2.757 3.163 1.00 0.20 N ATOM 414 CA ILE A 26 3.977 -2.608 3.392 1.00 0.23 C ATOM 415 C ILE A 26 3.376 -3.964 3.744 1.00 0.23 C ATOM 416 O ILE A 26 3.767 -4.975 3.167 1.00 0.26 O ATOM 417 CB ILE A 26 3.281 -2.008 2.133 1.00 0.31 C ATOM 418 CG1 ILE A 26 2.661 -0.660 2.472 1.00 0.41 C ATOM 419 CG2 ILE A 26 2.213 -2.943 1.561 1.00 0.39 C ATOM 420 CD1 ILE A 26 1.427 -0.780 3.319 1.00 0.73 C ATOM 0 H ILE A 26 5.657 -3.612 2.666 1.00 0.20 H new ATOM 0 HA ILE A 26 3.817 -1.921 4.223 1.00 0.23 H new ATOM 0 HB ILE A 26 4.048 -1.880 1.369 1.00 0.31 H new ATOM 0 HG12 ILE A 26 3.396 -0.049 2.995 1.00 0.41 H new ATOM 0 HG13 ILE A 26 2.412 -0.138 1.548 1.00 0.41 H new ATOM 0 HG21 ILE A 26 1.756 -2.481 0.685 1.00 0.39 H new ATOM 0 HG22 ILE A 26 2.673 -3.889 1.274 1.00 0.39 H new ATOM 0 HG23 ILE A 26 1.448 -3.126 2.315 1.00 0.39 H new ATOM 0 HD11 ILE A 26 1.031 0.214 3.528 1.00 0.73 H new ATOM 0 HD12 ILE A 26 0.677 -1.366 2.788 1.00 0.73 H new ATOM 0 HD13 ILE A 26 1.677 -1.275 4.257 1.00 0.73 H new ATOM 432 N GLU A 27 2.462 -4.000 4.704 1.00 0.22 N ATOM 433 CA GLU A 27 1.775 -5.241 5.052 1.00 0.23 C ATOM 434 C GLU A 27 0.323 -5.174 4.634 1.00 0.22 C ATOM 435 O GLU A 27 -0.174 -4.111 4.257 1.00 0.27 O ATOM 436 CB GLU A 27 1.834 -5.499 6.557 1.00 0.26 C ATOM 437 CG GLU A 27 2.469 -6.831 6.915 1.00 0.65 C ATOM 438 CD GLU A 27 2.607 -7.036 8.410 1.00 1.14 C ATOM 439 OE1 GLU A 27 3.642 -6.623 8.984 1.00 1.23 O ATOM 440 OE2 GLU A 27 1.681 -7.601 9.028 1.00 1.65 O ATOM 0 H GLU A 27 2.178 -3.190 5.255 1.00 0.22 H new ATOM 0 HA GLU A 27 2.279 -6.052 4.526 1.00 0.23 H new ATOM 0 HB2 GLU A 27 2.397 -4.697 7.034 1.00 0.26 H new ATOM 0 HB3 GLU A 27 0.823 -5.465 6.964 1.00 0.26 H new ATOM 0 HG2 GLU A 27 1.868 -7.638 6.497 1.00 0.65 H new ATOM 0 HG3 GLU A 27 3.454 -6.894 6.452 1.00 0.65 H new ATOM 447 N TYR A 28 -0.362 -6.303 4.709 1.00 0.23 N ATOM 448 CA TYR A 28 -1.801 -6.311 4.540 1.00 0.22 C ATOM 449 C TYR A 28 -2.405 -7.560 5.143 1.00 0.28 C ATOM 450 O TYR A 28 -1.776 -8.619 5.189 1.00 0.45 O ATOM 451 CB TYR A 28 -2.223 -6.190 3.071 1.00 0.29 C ATOM 452 CG TYR A 28 -1.753 -7.324 2.188 1.00 0.35 C ATOM 453 CD1 TYR A 28 -2.502 -8.489 2.068 1.00 0.44 C ATOM 454 CD2 TYR A 28 -0.562 -7.231 1.479 1.00 0.40 C ATOM 455 CE1 TYR A 28 -2.074 -9.531 1.272 1.00 0.56 C ATOM 456 CE2 TYR A 28 -0.129 -8.270 0.677 1.00 0.50 C ATOM 457 CZ TYR A 28 -0.888 -9.417 0.579 1.00 0.60 C ATOM 458 OH TYR A 28 -0.454 -10.457 -0.206 1.00 0.70 O ATOM 0 H TYR A 28 0.053 -7.218 4.884 1.00 0.23 H new ATOM 0 HA TYR A 28 -2.178 -5.433 5.065 1.00 0.22 H new ATOM 0 HB2 TYR A 28 -3.310 -6.135 3.022 1.00 0.29 H new ATOM 0 HB3 TYR A 28 -1.838 -5.252 2.672 1.00 0.29 H new ATOM 0 HD1 TYR A 28 -3.434 -8.580 2.607 1.00 0.44 H new ATOM 0 HD2 TYR A 28 0.034 -6.334 1.556 1.00 0.40 H new ATOM 0 HE1 TYR A 28 -2.665 -10.431 1.192 1.00 0.56 H new ATOM 0 HE2 TYR A 28 0.798 -8.184 0.130 1.00 0.50 H new ATOM 0 HH TYR A 28 -0.216 -10.119 -1.094 1.00 0.70 H new ATOM 468 N LYS A 29 -3.625 -7.421 5.620 1.00 0.24 N ATOM 469 CA LYS A 29 -4.334 -8.519 6.231 1.00 0.32 C ATOM 470 C LYS A 29 -5.644 -8.727 5.494 1.00 0.25 C ATOM 471 O LYS A 29 -6.510 -7.854 5.499 1.00 0.31 O ATOM 472 CB LYS A 29 -4.604 -8.227 7.714 1.00 0.49 C ATOM 473 CG LYS A 29 -3.695 -7.165 8.327 1.00 0.58 C ATOM 474 CD LYS A 29 -2.234 -7.596 8.364 1.00 0.74 C ATOM 475 CE LYS A 29 -1.976 -8.607 9.460 1.00 1.09 C ATOM 476 NZ LYS A 29 -0.575 -9.104 9.449 1.00 1.52 N ATOM 0 H LYS A 29 -4.149 -6.546 5.594 1.00 0.24 H new ATOM 0 HA LYS A 29 -3.727 -9.422 6.168 1.00 0.32 H new ATOM 0 HB2 LYS A 29 -5.640 -7.908 7.825 1.00 0.49 H new ATOM 0 HB3 LYS A 29 -4.493 -9.152 8.279 1.00 0.49 H new ATOM 0 HG2 LYS A 29 -3.783 -6.242 7.754 1.00 0.58 H new ATOM 0 HG3 LYS A 29 -4.031 -6.945 9.340 1.00 0.58 H new ATOM 0 HD2 LYS A 29 -1.957 -8.025 7.401 1.00 0.74 H new ATOM 0 HD3 LYS A 29 -1.601 -6.722 8.518 1.00 0.74 H new ATOM 0 HE2 LYS A 29 -2.191 -8.154 10.428 1.00 1.09 H new ATOM 0 HE3 LYS A 29 -2.659 -9.449 9.343 1.00 1.09 H new ATOM 0 HZ1 LYS A 29 -0.349 -9.527 10.372 1.00 1.52 H new ATOM 0 HZ2 LYS A 29 -0.467 -9.822 8.704 1.00 1.52 H new ATOM 0 HZ3 LYS A 29 0.073 -8.312 9.263 1.00 1.52 H new ATOM 490 N MET A 30 -5.784 -9.863 4.835 1.00 0.32 N ATOM 491 CA MET A 30 -6.977 -10.129 4.052 1.00 0.27 C ATOM 492 C MET A 30 -8.121 -10.558 4.966 1.00 0.30 C ATOM 493 O MET A 30 -8.109 -11.645 5.540 1.00 0.39 O ATOM 494 CB MET A 30 -6.704 -11.200 2.994 1.00 0.36 C ATOM 495 CG MET A 30 -5.551 -10.863 2.064 1.00 1.00 C ATOM 496 SD MET A 30 -5.340 -12.083 0.752 1.00 1.12 S ATOM 497 CE MET A 30 -5.160 -13.587 1.708 1.00 1.85 C ATOM 0 H MET A 30 -5.091 -10.612 4.826 1.00 0.32 H new ATOM 0 HA MET A 30 -7.265 -9.212 3.538 1.00 0.27 H new ATOM 0 HB2 MET A 30 -6.491 -12.145 3.494 1.00 0.36 H new ATOM 0 HB3 MET A 30 -7.606 -11.349 2.400 1.00 0.36 H new ATOM 0 HG2 MET A 30 -5.722 -9.883 1.620 1.00 1.00 H new ATOM 0 HG3 MET A 30 -4.630 -10.794 2.643 1.00 1.00 H new ATOM 0 HE1 MET A 30 -4.728 -14.367 1.081 1.00 1.85 H new ATOM 0 HE2 MET A 30 -4.505 -13.401 2.559 1.00 1.85 H new ATOM 0 HE3 MET A 30 -6.138 -13.909 2.067 1.00 1.85 H new ATOM 507 N ARG A 31 -9.094 -9.679 5.091 1.00 0.29 N ATOM 508 CA ARG A 31 -10.244 -9.876 5.950 1.00 0.39 C ATOM 509 C ARG A 31 -11.412 -10.372 5.123 1.00 0.42 C ATOM 510 O ARG A 31 -11.346 -10.357 3.893 1.00 0.38 O ATOM 511 CB ARG A 31 -10.620 -8.547 6.604 1.00 0.46 C ATOM 512 CG ARG A 31 -9.494 -7.937 7.428 1.00 0.67 C ATOM 513 CD ARG A 31 -9.743 -6.464 7.736 1.00 0.66 C ATOM 514 NE ARG A 31 -10.929 -6.254 8.563 1.00 0.98 N ATOM 515 CZ ARG A 31 -11.246 -5.091 9.132 1.00 1.28 C ATOM 516 NH1 ARG A 31 -10.458 -4.030 8.985 1.00 1.41 N ATOM 517 NH2 ARG A 31 -12.353 -4.996 9.855 1.00 2.03 N ATOM 0 H ARG A 31 -9.108 -8.791 4.589 1.00 0.29 H new ATOM 0 HA ARG A 31 -10.002 -10.610 6.719 1.00 0.39 H new ATOM 0 HB2 ARG A 31 -10.917 -7.840 5.829 1.00 0.46 H new ATOM 0 HB3 ARG A 31 -11.488 -8.699 7.245 1.00 0.46 H new ATOM 0 HG2 ARG A 31 -9.388 -8.489 8.362 1.00 0.67 H new ATOM 0 HG3 ARG A 31 -8.553 -8.040 6.888 1.00 0.67 H new ATOM 0 HD2 ARG A 31 -8.872 -6.051 8.245 1.00 0.66 H new ATOM 0 HD3 ARG A 31 -9.855 -5.915 6.801 1.00 0.66 H new ATOM 0 HE ARG A 31 -11.553 -7.046 8.714 1.00 0.98 H new ATOM 0 HH11 ARG A 31 -9.603 -4.102 8.433 1.00 1.41 H new ATOM 0 HH12 ARG A 31 -10.708 -3.144 9.424 1.00 1.41 H new ATOM 0 HH21 ARG A 31 -12.956 -5.810 9.973 1.00 2.03 H new ATOM 0 HH22 ARG A 31 -12.601 -4.109 10.293 1.00 2.03 H new ATOM 531 N ASN A 32 -12.475 -10.801 5.791 1.00 0.55 N ATOM 532 CA ASN A 32 -13.695 -11.215 5.109 1.00 0.64 C ATOM 533 C ASN A 32 -13.398 -12.381 4.167 1.00 0.65 C ATOM 534 O ASN A 32 -13.675 -12.306 2.972 1.00 0.66 O ATOM 535 CB ASN A 32 -14.271 -10.026 4.323 1.00 0.64 C ATOM 536 CG ASN A 32 -15.727 -10.203 3.950 1.00 0.77 C ATOM 537 OD1 ASN A 32 -16.065 -10.777 2.914 1.00 1.15 O ATOM 538 ND2 ASN A 32 -16.602 -9.675 4.784 1.00 0.99 N ATOM 0 H ASN A 32 -12.517 -10.872 6.808 1.00 0.55 H new ATOM 0 HA ASN A 32 -14.428 -11.544 5.846 1.00 0.64 H new ATOM 0 HB2 ASN A 32 -14.163 -9.120 4.919 1.00 0.64 H new ATOM 0 HB3 ASN A 32 -13.686 -9.882 3.415 1.00 0.64 H new ATOM 0 HD21 ASN A 32 -17.600 -9.734 4.581 1.00 0.99 H new ATOM 0 HD22 ASN A 32 -16.281 -9.208 5.632 1.00 0.99 H new ATOM 545 N ASN A 33 -12.779 -13.435 4.712 1.00 0.73 N ATOM 546 CA ASN A 33 -12.374 -14.614 3.928 1.00 0.83 C ATOM 547 C ASN A 33 -11.216 -14.265 2.982 1.00 0.78 C ATOM 548 O ASN A 33 -10.677 -15.123 2.282 1.00 1.04 O ATOM 549 CB ASN A 33 -13.565 -15.178 3.133 1.00 0.95 C ATOM 550 CG ASN A 33 -13.229 -16.440 2.354 1.00 1.62 C ATOM 551 OD1 ASN A 33 -12.481 -17.301 2.822 1.00 1.82 O ATOM 552 ND2 ASN A 33 -13.779 -16.555 1.156 1.00 2.33 N ATOM 0 H ASN A 33 -12.545 -13.498 5.703 1.00 0.73 H new ATOM 0 HA ASN A 33 -12.032 -15.380 4.624 1.00 0.83 H new ATOM 0 HB2 ASN A 33 -14.383 -15.392 3.821 1.00 0.95 H new ATOM 0 HB3 ASN A 33 -13.923 -14.417 2.440 1.00 0.95 H new ATOM 0 HD21 ASN A 33 -13.589 -17.378 0.585 1.00 2.33 H new ATOM 0 HD22 ASN A 33 -14.393 -15.820 0.804 1.00 2.33 H new ATOM 559 N GLY A 34 -10.825 -12.999 2.980 1.00 0.55 N ATOM 560 CA GLY A 34 -9.770 -12.545 2.102 1.00 0.52 C ATOM 561 C GLY A 34 -10.291 -11.636 1.005 1.00 0.48 C ATOM 562 O GLY A 34 -9.597 -11.371 0.027 1.00 0.62 O ATOM 0 H GLY A 34 -11.224 -12.274 3.576 1.00 0.55 H new ATOM 0 HA2 GLY A 34 -9.017 -12.014 2.685 1.00 0.52 H new ATOM 0 HA3 GLY A 34 -9.276 -13.407 1.654 1.00 0.52 H new ATOM 566 N LYS A 35 -11.516 -11.149 1.180 1.00 0.40 N ATOM 567 CA LYS A 35 -12.148 -10.281 0.191 1.00 0.40 C ATOM 568 C LYS A 35 -11.807 -8.827 0.450 1.00 0.28 C ATOM 569 O LYS A 35 -12.055 -7.963 -0.390 1.00 0.28 O ATOM 570 CB LYS A 35 -13.665 -10.452 0.209 1.00 0.52 C ATOM 571 CG LYS A 35 -14.123 -11.854 -0.134 1.00 0.67 C ATOM 572 CD LYS A 35 -13.633 -12.274 -1.513 1.00 0.85 C ATOM 573 CE LYS A 35 -14.311 -13.549 -1.984 1.00 1.14 C ATOM 574 NZ LYS A 35 -15.778 -13.367 -2.160 1.00 1.60 N ATOM 0 H LYS A 35 -12.092 -11.341 1.999 1.00 0.40 H new ATOM 0 HA LYS A 35 -11.766 -10.569 -0.788 1.00 0.40 H new ATOM 0 HB2 LYS A 35 -14.040 -10.188 1.198 1.00 0.52 H new ATOM 0 HB3 LYS A 35 -14.109 -9.751 -0.498 1.00 0.52 H new ATOM 0 HG2 LYS A 35 -13.752 -12.554 0.615 1.00 0.67 H new ATOM 0 HG3 LYS A 35 -15.212 -11.901 -0.102 1.00 0.67 H new ATOM 0 HD2 LYS A 35 -13.826 -11.474 -2.227 1.00 0.85 H new ATOM 0 HD3 LYS A 35 -12.554 -12.424 -1.486 1.00 0.85 H new ATOM 0 HE2 LYS A 35 -13.869 -13.867 -2.928 1.00 1.14 H new ATOM 0 HE3 LYS A 35 -14.128 -14.345 -1.262 1.00 1.14 H new ATOM 0 HZ1 LYS A 35 -16.145 -14.102 -2.797 1.00 1.60 H new ATOM 0 HZ2 LYS A 35 -16.250 -13.442 -1.237 1.00 1.60 H new ATOM 0 HZ3 LYS A 35 -15.965 -12.429 -2.569 1.00 1.60 H new ATOM 588 N VAL A 36 -11.262 -8.558 1.623 1.00 0.25 N ATOM 589 CA VAL A 36 -10.844 -7.217 1.979 1.00 0.19 C ATOM 590 C VAL A 36 -9.378 -7.217 2.393 1.00 0.16 C ATOM 591 O VAL A 36 -8.988 -7.922 3.302 1.00 0.22 O ATOM 592 CB VAL A 36 -11.718 -6.657 3.125 1.00 0.24 C ATOM 593 CG1 VAL A 36 -11.146 -5.355 3.668 1.00 0.31 C ATOM 594 CG2 VAL A 36 -13.148 -6.447 2.648 1.00 0.30 C ATOM 0 H VAL A 36 -11.099 -9.256 2.348 1.00 0.25 H new ATOM 0 HA VAL A 36 -10.968 -6.576 1.106 1.00 0.19 H new ATOM 0 HB VAL A 36 -11.720 -7.388 3.933 1.00 0.24 H new ATOM 0 HG11 VAL A 36 -11.782 -4.986 4.472 1.00 0.31 H new ATOM 0 HG12 VAL A 36 -10.141 -5.531 4.052 1.00 0.31 H new ATOM 0 HG13 VAL A 36 -11.105 -4.615 2.869 1.00 0.31 H new ATOM 0 HG21 VAL A 36 -13.750 -6.053 3.466 1.00 0.30 H new ATOM 0 HG22 VAL A 36 -13.155 -5.740 1.819 1.00 0.30 H new ATOM 0 HG23 VAL A 36 -13.564 -7.398 2.317 1.00 0.30 H new ATOM 604 N MET A 37 -8.568 -6.427 1.725 1.00 0.15 N ATOM 605 CA MET A 37 -7.170 -6.301 2.084 1.00 0.18 C ATOM 606 C MET A 37 -6.973 -5.111 2.989 1.00 0.16 C ATOM 607 O MET A 37 -7.126 -3.967 2.570 1.00 0.17 O ATOM 608 CB MET A 37 -6.282 -6.156 0.846 1.00 0.24 C ATOM 609 CG MET A 37 -5.992 -7.458 0.128 1.00 0.51 C ATOM 610 SD MET A 37 -4.813 -7.241 -1.217 1.00 1.03 S ATOM 611 CE MET A 37 -4.624 -8.928 -1.777 1.00 1.66 C ATOM 0 H MET A 37 -8.853 -5.859 0.927 1.00 0.15 H new ATOM 0 HA MET A 37 -6.879 -7.213 2.606 1.00 0.18 H new ATOM 0 HB2 MET A 37 -6.762 -5.469 0.148 1.00 0.24 H new ATOM 0 HB3 MET A 37 -5.337 -5.701 1.143 1.00 0.24 H new ATOM 0 HG2 MET A 37 -5.600 -8.185 0.840 1.00 0.51 H new ATOM 0 HG3 MET A 37 -6.921 -7.868 -0.267 1.00 0.51 H new ATOM 0 HE1 MET A 37 -3.656 -9.312 -1.455 1.00 1.66 H new ATOM 0 HE2 MET A 37 -5.418 -9.543 -1.353 1.00 1.66 H new ATOM 0 HE3 MET A 37 -4.683 -8.959 -2.865 1.00 1.66 H new ATOM 621 N ASP A 38 -6.657 -5.379 4.235 1.00 0.17 N ATOM 622 CA ASP A 38 -6.348 -4.319 5.167 1.00 0.18 C ATOM 623 C ASP A 38 -4.878 -3.999 5.047 1.00 0.18 C ATOM 624 O ASP A 38 -4.032 -4.762 5.497 1.00 0.20 O ATOM 625 CB ASP A 38 -6.683 -4.759 6.594 1.00 0.24 C ATOM 626 CG ASP A 38 -6.878 -3.600 7.560 1.00 0.32 C ATOM 627 OD1 ASP A 38 -5.913 -2.849 7.823 1.00 0.97 O ATOM 628 OD2 ASP A 38 -8.006 -3.455 8.081 1.00 0.81 O ATOM 0 H ASP A 38 -6.607 -6.320 4.626 1.00 0.17 H new ATOM 0 HA ASP A 38 -6.941 -3.433 4.939 1.00 0.18 H new ATOM 0 HB2 ASP A 38 -7.591 -5.362 6.575 1.00 0.24 H new ATOM 0 HB3 ASP A 38 -5.883 -5.399 6.965 1.00 0.24 H new ATOM 633 N LEU A 39 -4.582 -2.879 4.421 1.00 0.18 N ATOM 634 CA LEU A 39 -3.210 -2.484 4.185 1.00 0.19 C ATOM 635 C LEU A 39 -2.645 -1.923 5.468 1.00 0.20 C ATOM 636 O LEU A 39 -3.103 -0.891 5.961 1.00 0.28 O ATOM 637 CB LEU A 39 -3.121 -1.469 3.032 1.00 0.20 C ATOM 638 CG LEU A 39 -3.159 -2.064 1.620 1.00 0.19 C ATOM 639 CD1 LEU A 39 -4.238 -3.122 1.480 1.00 0.18 C ATOM 640 CD2 LEU A 39 -3.371 -0.964 0.596 1.00 0.22 C ATOM 0 H LEU A 39 -5.278 -2.223 4.065 1.00 0.18 H new ATOM 0 HA LEU A 39 -2.621 -3.350 3.884 1.00 0.19 H new ATOM 0 HB2 LEU A 39 -3.944 -0.761 3.131 1.00 0.20 H new ATOM 0 HB3 LEU A 39 -2.197 -0.901 3.143 1.00 0.20 H new ATOM 0 HG LEU A 39 -2.199 -2.548 1.441 1.00 0.19 H new ATOM 0 HD11 LEU A 39 -4.230 -3.517 0.464 1.00 0.18 H new ATOM 0 HD12 LEU A 39 -4.048 -3.931 2.186 1.00 0.18 H new ATOM 0 HD13 LEU A 39 -5.212 -2.679 1.689 1.00 0.18 H new ATOM 0 HD21 LEU A 39 -3.396 -1.398 -0.404 1.00 0.22 H new ATOM 0 HD22 LEU A 39 -4.315 -0.458 0.796 1.00 0.22 H new ATOM 0 HD23 LEU A 39 -2.554 -0.246 0.659 1.00 0.22 H new ATOM 652 N VAL A 40 -1.673 -2.620 6.020 1.00 0.17 N ATOM 653 CA VAL A 40 -1.181 -2.309 7.335 1.00 0.20 C ATOM 654 C VAL A 40 0.278 -1.899 7.273 1.00 0.18 C ATOM 655 O VAL A 40 1.111 -2.632 6.754 1.00 0.23 O ATOM 656 CB VAL A 40 -1.333 -3.523 8.278 1.00 0.29 C ATOM 657 CG1 VAL A 40 -0.670 -3.262 9.618 1.00 0.84 C ATOM 658 CG2 VAL A 40 -2.799 -3.869 8.477 1.00 0.88 C ATOM 0 H VAL A 40 -1.209 -3.409 5.570 1.00 0.17 H new ATOM 0 HA VAL A 40 -1.771 -1.480 7.726 1.00 0.20 H new ATOM 0 HB VAL A 40 -0.834 -4.371 7.809 1.00 0.29 H new ATOM 0 HG11 VAL A 40 -0.793 -4.134 10.261 1.00 0.84 H new ATOM 0 HG12 VAL A 40 0.392 -3.070 9.467 1.00 0.84 H new ATOM 0 HG13 VAL A 40 -1.132 -2.395 10.090 1.00 0.84 H new ATOM 0 HG21 VAL A 40 -2.883 -4.727 9.144 1.00 0.88 H new ATOM 0 HG22 VAL A 40 -3.318 -3.016 8.915 1.00 0.88 H new ATOM 0 HG23 VAL A 40 -3.249 -4.113 7.515 1.00 0.88 H new ATOM 668 N HIS A 41 0.564 -0.703 7.753 1.00 0.16 N ATOM 669 CA HIS A 41 1.930 -0.276 8.003 1.00 0.17 C ATOM 670 C HIS A 41 2.692 0.012 6.722 1.00 0.14 C ATOM 671 O HIS A 41 3.259 -0.884 6.096 1.00 0.17 O ATOM 672 CB HIS A 41 2.679 -1.328 8.841 1.00 0.22 C ATOM 673 CG HIS A 41 4.005 -0.886 9.390 1.00 0.42 C ATOM 674 ND1 HIS A 41 4.772 -1.694 10.196 1.00 0.98 N ATOM 675 CD2 HIS A 41 4.693 0.277 9.264 1.00 0.56 C ATOM 676 CE1 HIS A 41 5.866 -1.050 10.549 1.00 1.03 C ATOM 677 NE2 HIS A 41 5.847 0.148 9.999 1.00 0.67 N ATOM 0 H HIS A 41 -0.141 -0.002 7.980 1.00 0.16 H new ATOM 0 HA HIS A 41 1.873 0.658 8.562 1.00 0.17 H new ATOM 0 HB2 HIS A 41 2.041 -1.627 9.673 1.00 0.22 H new ATOM 0 HB3 HIS A 41 2.836 -2.214 8.226 1.00 0.22 H new ATOM 0 HD2 HIS A 41 4.390 1.142 8.693 1.00 0.56 H new ATOM 0 HE1 HIS A 41 6.648 -1.439 11.184 1.00 1.03 H new ATOM 0 HE2 HIS A 41 6.569 0.861 10.102 1.00 0.67 H new ATOM 686 N THR A 42 2.688 1.270 6.338 1.00 0.16 N ATOM 687 CA THR A 42 3.593 1.744 5.319 1.00 0.16 C ATOM 688 C THR A 42 4.867 2.208 6.010 1.00 0.20 C ATOM 689 O THR A 42 4.813 2.822 7.080 1.00 0.31 O ATOM 690 CB THR A 42 2.993 2.914 4.503 1.00 0.20 C ATOM 691 OG1 THR A 42 3.910 3.318 3.485 1.00 0.22 O ATOM 692 CG2 THR A 42 2.679 4.101 5.400 1.00 0.31 C ATOM 0 H THR A 42 2.066 1.983 6.718 1.00 0.16 H new ATOM 0 HA THR A 42 3.790 0.933 4.618 1.00 0.16 H new ATOM 0 HB THR A 42 2.065 2.568 4.047 1.00 0.20 H new ATOM 0 HG1 THR A 42 3.532 3.114 2.604 1.00 0.22 H new ATOM 0 HG21 THR A 42 2.259 4.909 4.801 1.00 0.31 H new ATOM 0 HG22 THR A 42 1.959 3.801 6.161 1.00 0.31 H new ATOM 0 HG23 THR A 42 3.594 4.445 5.882 1.00 0.31 H new ATOM 700 N TYR A 43 6.009 1.874 5.456 1.00 0.22 N ATOM 701 CA TYR A 43 7.252 2.338 6.024 1.00 0.29 C ATOM 702 C TYR A 43 8.219 2.708 4.926 1.00 0.27 C ATOM 703 O TYR A 43 8.169 2.144 3.838 1.00 0.37 O ATOM 704 CB TYR A 43 7.867 1.283 6.942 1.00 0.45 C ATOM 705 CG TYR A 43 8.767 1.886 7.993 1.00 0.74 C ATOM 706 CD1 TYR A 43 8.265 2.818 8.890 1.00 1.15 C ATOM 707 CD2 TYR A 43 10.106 1.532 8.095 1.00 0.94 C ATOM 708 CE1 TYR A 43 9.064 3.380 9.860 1.00 1.53 C ATOM 709 CE2 TYR A 43 10.918 2.092 9.065 1.00 1.34 C ATOM 710 CZ TYR A 43 10.393 3.015 9.947 1.00 1.58 C ATOM 711 OH TYR A 43 11.196 3.570 10.921 1.00 2.02 O ATOM 0 H TYR A 43 6.103 1.291 4.624 1.00 0.22 H new ATOM 0 HA TYR A 43 7.042 3.223 6.624 1.00 0.29 H new ATOM 0 HB2 TYR A 43 7.070 0.721 7.429 1.00 0.45 H new ATOM 0 HB3 TYR A 43 8.438 0.573 6.343 1.00 0.45 H new ATOM 0 HD1 TYR A 43 7.227 3.108 8.826 1.00 1.15 H new ATOM 0 HD2 TYR A 43 10.519 0.809 7.407 1.00 0.94 H new ATOM 0 HE1 TYR A 43 8.653 4.103 10.550 1.00 1.53 H new ATOM 0 HE2 TYR A 43 11.958 1.808 9.132 1.00 1.34 H new ATOM 0 HH TYR A 43 12.102 3.205 10.845 1.00 2.02 H new ATOM 721 N VAL A 44 9.078 3.669 5.216 1.00 0.25 N ATOM 722 CA VAL A 44 10.088 4.113 4.272 1.00 0.28 C ATOM 723 C VAL A 44 11.191 4.876 5.016 1.00 0.34 C ATOM 724 O VAL A 44 10.905 5.643 5.941 1.00 0.36 O ATOM 725 CB VAL A 44 9.466 4.998 3.158 1.00 0.33 C ATOM 726 CG1 VAL A 44 8.975 6.331 3.702 1.00 0.71 C ATOM 727 CG2 VAL A 44 10.444 5.214 2.014 1.00 0.60 C ATOM 0 H VAL A 44 9.095 4.162 6.109 1.00 0.25 H new ATOM 0 HA VAL A 44 10.522 3.236 3.791 1.00 0.28 H new ATOM 0 HB VAL A 44 8.601 4.460 2.771 1.00 0.33 H new ATOM 0 HG11 VAL A 44 8.547 6.920 2.891 1.00 0.71 H new ATOM 0 HG12 VAL A 44 8.215 6.156 4.463 1.00 0.71 H new ATOM 0 HG13 VAL A 44 9.811 6.874 4.143 1.00 0.71 H new ATOM 0 HG21 VAL A 44 9.979 5.837 1.250 1.00 0.60 H new ATOM 0 HG22 VAL A 44 11.340 5.708 2.390 1.00 0.60 H new ATOM 0 HG23 VAL A 44 10.715 4.251 1.581 1.00 0.60 H new ATOM 737 N PRO A 45 12.467 4.640 4.663 1.00 0.41 N ATOM 738 CA PRO A 45 13.599 5.325 5.298 1.00 0.48 C ATOM 739 C PRO A 45 13.681 6.799 4.908 1.00 0.51 C ATOM 740 O PRO A 45 12.994 7.247 3.989 1.00 0.50 O ATOM 741 CB PRO A 45 14.813 4.565 4.764 1.00 0.61 C ATOM 742 CG PRO A 45 14.365 4.021 3.456 1.00 0.79 C ATOM 743 CD PRO A 45 12.913 3.681 3.636 1.00 0.48 C ATOM 0 HA PRO A 45 13.519 5.324 6.385 1.00 0.48 H new ATOM 0 HB2 PRO A 45 15.673 5.224 4.646 1.00 0.61 H new ATOM 0 HB3 PRO A 45 15.113 3.768 5.444 1.00 0.61 H new ATOM 0 HG2 PRO A 45 14.500 4.753 2.660 1.00 0.79 H new ATOM 0 HG3 PRO A 45 14.943 3.139 3.180 1.00 0.79 H new ATOM 0 HD2 PRO A 45 12.354 3.797 2.707 1.00 0.48 H new ATOM 0 HD3 PRO A 45 12.778 2.650 3.963 1.00 0.48 H new ATOM 751 N SER A 46 14.549 7.535 5.595 1.00 0.63 N ATOM 752 CA SER A 46 14.714 8.973 5.380 1.00 0.77 C ATOM 753 C SER A 46 15.190 9.297 3.958 1.00 0.80 C ATOM 754 O SER A 46 15.204 10.455 3.545 1.00 0.94 O ATOM 755 CB SER A 46 15.698 9.534 6.406 1.00 0.91 C ATOM 756 OG SER A 46 15.274 9.239 7.729 1.00 1.39 O ATOM 0 H SER A 46 15.159 7.153 6.318 1.00 0.63 H new ATOM 0 HA SER A 46 13.738 9.442 5.506 1.00 0.77 H new ATOM 0 HB2 SER A 46 16.688 9.112 6.235 1.00 0.91 H new ATOM 0 HB3 SER A 46 15.785 10.613 6.280 1.00 0.91 H new ATOM 0 HG SER A 46 15.919 9.606 8.369 1.00 1.39 H new ATOM 762 N PHE A 47 15.576 8.268 3.216 1.00 0.75 N ATOM 763 CA PHE A 47 16.017 8.438 1.840 1.00 0.80 C ATOM 764 C PHE A 47 14.839 8.761 0.922 1.00 0.73 C ATOM 765 O PHE A 47 14.991 9.479 -0.068 1.00 0.82 O ATOM 766 CB PHE A 47 16.708 7.166 1.338 1.00 0.83 C ATOM 767 CG PHE A 47 17.926 6.771 2.126 1.00 1.39 C ATOM 768 CD1 PHE A 47 19.167 7.314 1.832 1.00 1.61 C ATOM 769 CD2 PHE A 47 17.826 5.863 3.164 1.00 2.13 C ATOM 770 CE1 PHE A 47 20.285 6.959 2.561 1.00 2.39 C ATOM 771 CE2 PHE A 47 18.941 5.503 3.897 1.00 3.04 C ATOM 772 CZ PHE A 47 20.180 6.032 3.571 1.00 3.12 C ATOM 0 H PHE A 47 15.592 7.303 3.547 1.00 0.75 H new ATOM 0 HA PHE A 47 16.721 9.270 1.820 1.00 0.80 H new ATOM 0 HB2 PHE A 47 15.992 6.344 1.362 1.00 0.83 H new ATOM 0 HB3 PHE A 47 16.994 7.309 0.296 1.00 0.83 H new ATOM 0 HD1 PHE A 47 19.261 8.023 1.023 1.00 1.61 H new ATOM 0 HD2 PHE A 47 16.866 5.430 3.405 1.00 2.13 H new ATOM 0 HE1 PHE A 47 21.241 7.409 2.338 1.00 2.39 H new ATOM 0 HE2 PHE A 47 18.847 4.812 4.721 1.00 3.04 H new ATOM 0 HZ PHE A 47 21.061 5.717 4.109 1.00 3.12 H new ATOM 782 N LYS A 48 13.666 8.230 1.255 1.00 0.61 N ATOM 783 CA LYS A 48 12.516 8.317 0.361 1.00 0.60 C ATOM 784 C LYS A 48 11.226 8.628 1.124 1.00 0.64 C ATOM 785 O LYS A 48 10.151 8.171 0.736 1.00 0.78 O ATOM 786 CB LYS A 48 12.357 7.000 -0.413 1.00 0.55 C ATOM 787 CG LYS A 48 13.515 6.693 -1.354 1.00 0.76 C ATOM 788 CD LYS A 48 13.374 5.316 -1.987 1.00 0.81 C ATOM 789 CE LYS A 48 13.673 4.200 -0.994 1.00 0.97 C ATOM 790 NZ LYS A 48 15.123 4.111 -0.673 1.00 1.19 N ATOM 0 H LYS A 48 13.487 7.738 2.131 1.00 0.61 H new ATOM 0 HA LYS A 48 12.697 9.136 -0.335 1.00 0.60 H new ATOM 0 HB2 LYS A 48 12.254 6.182 0.299 1.00 0.55 H new ATOM 0 HB3 LYS A 48 11.433 7.038 -0.990 1.00 0.55 H new ATOM 0 HG2 LYS A 48 13.559 7.451 -2.136 1.00 0.76 H new ATOM 0 HG3 LYS A 48 14.455 6.747 -0.805 1.00 0.76 H new ATOM 0 HD2 LYS A 48 12.362 5.196 -2.374 1.00 0.81 H new ATOM 0 HD3 LYS A 48 14.051 5.236 -2.837 1.00 0.81 H new ATOM 0 HE2 LYS A 48 13.109 4.370 -0.077 1.00 0.97 H new ATOM 0 HE3 LYS A 48 13.334 3.249 -1.405 1.00 0.97 H new ATOM 0 HZ1 LYS A 48 15.245 3.690 0.270 1.00 1.19 H new ATOM 0 HZ2 LYS A 48 15.600 3.517 -1.381 1.00 1.19 H new ATOM 0 HZ3 LYS A 48 15.540 5.064 -0.683 1.00 1.19 H new ATOM 804 N ARG A 49 11.333 9.435 2.175 1.00 0.73 N ATOM 805 CA ARG A 49 10.177 9.790 3.001 1.00 0.84 C ATOM 806 C ARG A 49 9.129 10.525 2.178 1.00 0.91 C ATOM 807 O ARG A 49 8.011 10.042 1.987 1.00 1.75 O ATOM 808 CB ARG A 49 10.610 10.674 4.172 1.00 1.03 C ATOM 809 CG ARG A 49 11.557 9.987 5.136 1.00 1.35 C ATOM 810 CD ARG A 49 10.854 8.913 5.947 1.00 1.45 C ATOM 811 NE ARG A 49 10.126 9.473 7.082 1.00 1.92 N ATOM 812 CZ ARG A 49 10.124 8.929 8.299 1.00 2.48 C ATOM 813 NH1 ARG A 49 10.709 7.754 8.504 1.00 2.70 N ATOM 814 NH2 ARG A 49 9.525 9.548 9.311 1.00 3.23 N ATOM 0 H ARG A 49 12.210 9.858 2.478 1.00 0.73 H new ATOM 0 HA ARG A 49 9.744 8.866 3.384 1.00 0.84 H new ATOM 0 HB2 ARG A 49 11.091 11.570 3.781 1.00 1.03 H new ATOM 0 HB3 ARG A 49 9.724 11.000 4.717 1.00 1.03 H new ATOM 0 HG2 ARG A 49 12.382 9.541 4.580 1.00 1.35 H new ATOM 0 HG3 ARG A 49 11.990 10.727 5.810 1.00 1.35 H new ATOM 0 HD2 ARG A 49 10.161 8.369 5.305 1.00 1.45 H new ATOM 0 HD3 ARG A 49 11.588 8.192 6.307 1.00 1.45 H new ATOM 0 HE ARG A 49 9.589 10.328 6.936 1.00 1.92 H new ATOM 0 HH11 ARG A 49 11.160 7.267 7.730 1.00 2.70 H new ATOM 0 HH12 ARG A 49 10.707 7.339 9.436 1.00 2.70 H new ATOM 0 HH21 ARG A 49 9.063 10.445 9.159 1.00 3.23 H new ATOM 0 HH22 ARG A 49 9.527 9.126 10.240 1.00 3.23 H new ATOM 828 N GLY A 50 9.504 11.690 1.676 1.00 1.00 N ATOM 829 CA GLY A 50 8.601 12.473 0.862 1.00 1.07 C ATOM 830 C GLY A 50 8.804 12.210 -0.608 1.00 0.98 C ATOM 831 O GLY A 50 8.593 13.083 -1.449 1.00 1.12 O ATOM 0 H GLY A 50 10.423 12.109 1.819 1.00 1.00 H new ATOM 0 HA2 GLY A 50 7.571 12.241 1.134 1.00 1.07 H new ATOM 0 HA3 GLY A 50 8.753 13.533 1.066 1.00 1.07 H new ATOM 835 N LEU A 51 9.215 10.992 -0.913 1.00 0.81 N ATOM 836 CA LEU A 51 9.456 10.587 -2.282 1.00 0.81 C ATOM 837 C LEU A 51 8.165 10.060 -2.898 1.00 0.71 C ATOM 838 O LEU A 51 7.870 10.313 -4.066 1.00 0.88 O ATOM 839 CB LEU A 51 10.538 9.503 -2.316 1.00 0.82 C ATOM 840 CG LEU A 51 11.500 9.549 -3.511 1.00 1.11 C ATOM 841 CD1 LEU A 51 10.742 9.487 -4.827 1.00 1.46 C ATOM 842 CD2 LEU A 51 12.365 10.799 -3.450 1.00 1.95 C ATOM 0 H LEU A 51 9.389 10.262 -0.222 1.00 0.81 H new ATOM 0 HA LEU A 51 9.797 11.447 -2.859 1.00 0.81 H new ATOM 0 HB2 LEU A 51 11.125 9.574 -1.400 1.00 0.82 H new ATOM 0 HB3 LEU A 51 10.049 8.529 -2.306 1.00 0.82 H new ATOM 0 HG LEU A 51 12.149 8.675 -3.456 1.00 1.11 H new ATOM 0 HD11 LEU A 51 11.449 9.521 -5.656 1.00 1.46 H new ATOM 0 HD12 LEU A 51 10.171 8.560 -4.875 1.00 1.46 H new ATOM 0 HD13 LEU A 51 10.061 10.336 -4.895 1.00 1.46 H new ATOM 0 HD21 LEU A 51 13.041 10.816 -4.305 1.00 1.95 H new ATOM 0 HD22 LEU A 51 11.728 11.683 -3.474 1.00 1.95 H new ATOM 0 HD23 LEU A 51 12.946 10.795 -2.528 1.00 1.95 H new ATOM 854 N GLY A 52 7.382 9.342 -2.103 1.00 0.52 N ATOM 855 CA GLY A 52 6.202 8.701 -2.642 1.00 0.43 C ATOM 856 C GLY A 52 6.247 7.200 -2.465 1.00 0.32 C ATOM 857 O GLY A 52 5.212 6.536 -2.472 1.00 0.28 O ATOM 0 H GLY A 52 7.541 9.194 -1.106 1.00 0.52 H new ATOM 0 HA2 GLY A 52 5.315 9.099 -2.149 1.00 0.43 H new ATOM 0 HA3 GLY A 52 6.111 8.939 -3.702 1.00 0.43 H new ATOM 861 N LEU A 53 7.461 6.671 -2.333 1.00 0.31 N ATOM 862 CA LEU A 53 7.707 5.229 -2.312 1.00 0.27 C ATOM 863 C LEU A 53 6.826 4.512 -1.287 1.00 0.20 C ATOM 864 O LEU A 53 6.268 3.457 -1.584 1.00 0.20 O ATOM 865 CB LEU A 53 9.194 4.972 -2.023 1.00 0.29 C ATOM 866 CG LEU A 53 9.680 3.523 -2.196 1.00 0.33 C ATOM 867 CD1 LEU A 53 9.367 2.687 -0.966 1.00 0.55 C ATOM 868 CD2 LEU A 53 9.060 2.891 -3.434 1.00 0.67 C ATOM 0 H LEU A 53 8.307 7.233 -2.237 1.00 0.31 H new ATOM 0 HA LEU A 53 7.448 4.824 -3.290 1.00 0.27 H new ATOM 0 HB2 LEU A 53 9.786 5.612 -2.678 1.00 0.29 H new ATOM 0 HB3 LEU A 53 9.403 5.283 -0.999 1.00 0.29 H new ATOM 0 HG LEU A 53 10.762 3.550 -2.322 1.00 0.33 H new ATOM 0 HD11 LEU A 53 9.723 1.668 -1.119 1.00 0.55 H new ATOM 0 HD12 LEU A 53 9.864 3.118 -0.097 1.00 0.55 H new ATOM 0 HD13 LEU A 53 8.290 2.674 -0.799 1.00 0.55 H new ATOM 0 HD21 LEU A 53 9.417 1.866 -3.537 1.00 0.67 H new ATOM 0 HD22 LEU A 53 7.974 2.889 -3.336 1.00 0.67 H new ATOM 0 HD23 LEU A 53 9.344 3.465 -4.316 1.00 0.67 H new ATOM 880 N ALA A 54 6.692 5.086 -0.098 1.00 0.19 N ATOM 881 CA ALA A 54 5.854 4.497 0.944 1.00 0.17 C ATOM 882 C ALA A 54 4.430 4.279 0.433 1.00 0.15 C ATOM 883 O ALA A 54 3.813 3.235 0.663 1.00 0.15 O ATOM 884 CB ALA A 54 5.847 5.394 2.171 1.00 0.24 C ATOM 0 H ALA A 54 7.151 5.957 0.170 1.00 0.19 H new ATOM 0 HA ALA A 54 6.268 3.527 1.218 1.00 0.17 H new ATOM 0 HB1 ALA A 54 5.220 4.949 2.944 1.00 0.24 H new ATOM 0 HB2 ALA A 54 6.864 5.504 2.547 1.00 0.24 H new ATOM 0 HB3 ALA A 54 5.452 6.374 1.903 1.00 0.24 H new ATOM 890 N SER A 55 3.929 5.273 -0.278 1.00 0.17 N ATOM 891 CA SER A 55 2.611 5.210 -0.882 1.00 0.21 C ATOM 892 C SER A 55 2.567 4.204 -2.034 1.00 0.21 C ATOM 893 O SER A 55 1.541 3.571 -2.267 1.00 0.25 O ATOM 894 CB SER A 55 2.214 6.601 -1.368 1.00 0.28 C ATOM 895 OG SER A 55 2.227 7.526 -0.296 1.00 1.08 O ATOM 0 H SER A 55 4.425 6.147 -0.453 1.00 0.17 H new ATOM 0 HA SER A 55 1.900 4.868 -0.130 1.00 0.21 H new ATOM 0 HB2 SER A 55 2.901 6.930 -2.147 1.00 0.28 H new ATOM 0 HB3 SER A 55 1.220 6.566 -1.814 1.00 0.28 H new ATOM 0 HG SER A 55 1.972 8.413 -0.626 1.00 1.08 H new ATOM 901 N HIS A 56 3.685 4.048 -2.740 1.00 0.21 N ATOM 902 CA HIS A 56 3.770 3.073 -3.829 1.00 0.23 C ATOM 903 C HIS A 56 3.580 1.661 -3.299 1.00 0.20 C ATOM 904 O HIS A 56 3.018 0.803 -3.973 1.00 0.23 O ATOM 905 CB HIS A 56 5.109 3.166 -4.569 1.00 0.29 C ATOM 906 CG HIS A 56 5.185 4.283 -5.561 1.00 0.45 C ATOM 907 ND1 HIS A 56 4.861 4.129 -6.890 1.00 0.79 N ATOM 908 CD2 HIS A 56 5.564 5.573 -5.418 1.00 0.70 C ATOM 909 CE1 HIS A 56 5.040 5.273 -7.522 1.00 0.99 C ATOM 910 NE2 HIS A 56 5.467 6.167 -6.650 1.00 0.93 N ATOM 0 H HIS A 56 4.541 4.580 -2.580 1.00 0.21 H new ATOM 0 HA HIS A 56 2.972 3.307 -4.534 1.00 0.23 H new ATOM 0 HB2 HIS A 56 5.908 3.290 -3.838 1.00 0.29 H new ATOM 0 HB3 HIS A 56 5.292 2.224 -5.085 1.00 0.29 H new ATOM 0 HD2 HIS A 56 5.884 6.048 -4.502 1.00 0.70 H new ATOM 0 HE1 HIS A 56 4.867 5.448 -8.574 1.00 0.99 H new ATOM 0 HE2 HIS A 56 5.689 7.141 -6.858 1.00 0.93 H new ATOM 919 N LEU A 57 4.042 1.435 -2.079 1.00 0.15 N ATOM 920 CA LEU A 57 3.881 0.145 -1.429 1.00 0.13 C ATOM 921 C LEU A 57 2.398 -0.133 -1.189 1.00 0.13 C ATOM 922 O LEU A 57 1.901 -1.233 -1.450 1.00 0.15 O ATOM 923 CB LEU A 57 4.647 0.138 -0.109 1.00 0.14 C ATOM 924 CG LEU A 57 6.143 0.436 -0.224 1.00 0.17 C ATOM 925 CD1 LEU A 57 6.727 0.737 1.144 1.00 0.19 C ATOM 926 CD2 LEU A 57 6.870 -0.735 -0.864 1.00 0.22 C ATOM 0 H LEU A 57 4.533 2.131 -1.518 1.00 0.15 H new ATOM 0 HA LEU A 57 4.281 -0.639 -2.072 1.00 0.13 H new ATOM 0 HB2 LEU A 57 4.196 0.873 0.558 1.00 0.14 H new ATOM 0 HB3 LEU A 57 4.522 -0.838 0.360 1.00 0.14 H new ATOM 0 HG LEU A 57 6.274 1.312 -0.859 1.00 0.17 H new ATOM 0 HD11 LEU A 57 7.792 0.947 1.047 1.00 0.19 H new ATOM 0 HD12 LEU A 57 6.224 1.604 1.572 1.00 0.19 H new ATOM 0 HD13 LEU A 57 6.585 -0.124 1.798 1.00 0.19 H new ATOM 0 HD21 LEU A 57 7.933 -0.506 -0.938 1.00 0.22 H new ATOM 0 HD22 LEU A 57 6.732 -1.627 -0.253 1.00 0.22 H new ATOM 0 HD23 LEU A 57 6.467 -0.913 -1.861 1.00 0.22 H new ATOM 938 N CYS A 58 1.697 0.884 -0.708 1.00 0.16 N ATOM 939 CA CYS A 58 0.253 0.801 -0.520 1.00 0.19 C ATOM 940 C CYS A 58 -0.444 0.544 -1.859 1.00 0.19 C ATOM 941 O CYS A 58 -1.404 -0.226 -1.937 1.00 0.20 O ATOM 942 CB CYS A 58 -0.265 2.098 0.107 1.00 0.23 C ATOM 943 SG CYS A 58 -2.046 2.128 0.421 1.00 0.27 S ATOM 0 H CYS A 58 2.105 1.779 -0.440 1.00 0.16 H new ATOM 0 HA CYS A 58 0.031 -0.030 0.150 1.00 0.19 H new ATOM 0 HB2 CYS A 58 0.259 2.265 1.048 1.00 0.23 H new ATOM 0 HB3 CYS A 58 -0.012 2.930 -0.551 1.00 0.23 H new ATOM 0 HG CYS A 58 -2.683 2.267 -0.704 1.00 0.27 H new ATOM 949 N VAL A 59 0.055 1.188 -2.910 1.00 0.19 N ATOM 950 CA VAL A 59 -0.479 1.008 -4.257 1.00 0.22 C ATOM 951 C VAL A 59 -0.293 -0.426 -4.740 1.00 0.20 C ATOM 952 O VAL A 59 -1.156 -0.971 -5.424 1.00 0.22 O ATOM 953 CB VAL A 59 0.185 1.982 -5.256 1.00 0.25 C ATOM 954 CG1 VAL A 59 -0.199 1.654 -6.693 1.00 0.29 C ATOM 955 CG2 VAL A 59 -0.202 3.410 -4.926 1.00 0.29 C ATOM 0 H VAL A 59 0.834 1.844 -2.854 1.00 0.19 H new ATOM 0 HA VAL A 59 -1.546 1.225 -4.210 1.00 0.22 H new ATOM 0 HB VAL A 59 1.265 1.871 -5.165 1.00 0.25 H new ATOM 0 HG11 VAL A 59 0.286 2.359 -7.369 1.00 0.29 H new ATOM 0 HG12 VAL A 59 0.123 0.641 -6.933 1.00 0.29 H new ATOM 0 HG13 VAL A 59 -1.281 1.728 -6.806 1.00 0.29 H new ATOM 0 HG21 VAL A 59 0.271 4.088 -5.636 1.00 0.29 H new ATOM 0 HG22 VAL A 59 -1.285 3.517 -4.988 1.00 0.29 H new ATOM 0 HG23 VAL A 59 0.129 3.653 -3.916 1.00 0.29 H new ATOM 965 N ALA A 60 0.820 -1.039 -4.365 1.00 0.18 N ATOM 966 CA ALA A 60 1.111 -2.405 -4.778 1.00 0.21 C ATOM 967 C ALA A 60 0.034 -3.374 -4.294 1.00 0.17 C ATOM 968 O ALA A 60 -0.296 -4.341 -4.988 1.00 0.17 O ATOM 969 CB ALA A 60 2.483 -2.828 -4.278 1.00 0.28 C ATOM 0 H ALA A 60 1.536 -0.613 -3.776 1.00 0.18 H new ATOM 0 HA ALA A 60 1.114 -2.435 -5.868 1.00 0.21 H new ATOM 0 HB1 ALA A 60 2.686 -3.851 -4.595 1.00 0.28 H new ATOM 0 HB2 ALA A 60 3.242 -2.163 -4.691 1.00 0.28 H new ATOM 0 HB3 ALA A 60 2.506 -2.774 -3.190 1.00 0.28 H new ATOM 975 N ALA A 61 -0.521 -3.125 -3.109 1.00 0.16 N ATOM 976 CA ALA A 61 -1.626 -3.943 -2.627 1.00 0.16 C ATOM 977 C ALA A 61 -2.897 -3.619 -3.400 1.00 0.14 C ATOM 978 O ALA A 61 -3.704 -4.507 -3.672 1.00 0.15 O ATOM 979 CB ALA A 61 -1.826 -3.747 -1.135 1.00 0.20 C ATOM 0 H ALA A 61 -0.229 -2.379 -2.478 1.00 0.16 H new ATOM 0 HA ALA A 61 -1.384 -4.993 -2.795 1.00 0.16 H new ATOM 0 HB1 ALA A 61 -2.656 -4.366 -0.795 1.00 0.20 H new ATOM 0 HB2 ALA A 61 -0.918 -4.034 -0.605 1.00 0.20 H new ATOM 0 HB3 ALA A 61 -2.048 -2.699 -0.932 1.00 0.20 H new ATOM 985 N PHE A 62 -3.060 -2.350 -3.772 1.00 0.14 N ATOM 986 CA PHE A 62 -4.180 -1.939 -4.616 1.00 0.15 C ATOM 987 C PHE A 62 -4.166 -2.710 -5.929 1.00 0.15 C ATOM 988 O PHE A 62 -5.194 -3.227 -6.364 1.00 0.16 O ATOM 989 CB PHE A 62 -4.135 -0.440 -4.928 1.00 0.17 C ATOM 990 CG PHE A 62 -4.560 0.468 -3.803 1.00 0.19 C ATOM 991 CD1 PHE A 62 -5.733 0.230 -3.111 1.00 0.21 C ATOM 992 CD2 PHE A 62 -3.802 1.580 -3.467 1.00 0.20 C ATOM 993 CE1 PHE A 62 -6.142 1.080 -2.099 1.00 0.23 C ATOM 994 CE2 PHE A 62 -4.203 2.431 -2.455 1.00 0.23 C ATOM 995 CZ PHE A 62 -5.375 2.180 -1.770 1.00 0.24 C ATOM 0 H PHE A 62 -2.433 -1.592 -3.503 1.00 0.14 H new ATOM 0 HA PHE A 62 -5.093 -2.156 -4.062 1.00 0.15 H new ATOM 0 HB2 PHE A 62 -3.118 -0.177 -5.220 1.00 0.17 H new ATOM 0 HB3 PHE A 62 -4.774 -0.246 -5.790 1.00 0.17 H new ATOM 0 HD1 PHE A 62 -6.337 -0.629 -3.363 1.00 0.21 H new ATOM 0 HD2 PHE A 62 -2.887 1.783 -4.003 1.00 0.20 H new ATOM 0 HE1 PHE A 62 -7.061 0.883 -1.567 1.00 0.23 H new ATOM 0 HE2 PHE A 62 -3.601 3.291 -2.200 1.00 0.23 H new ATOM 0 HZ PHE A 62 -5.691 2.843 -0.978 1.00 0.24 H new ATOM 1005 N GLU A 63 -2.990 -2.782 -6.551 1.00 0.16 N ATOM 1006 CA GLU A 63 -2.821 -3.507 -7.806 1.00 0.19 C ATOM 1007 C GLU A 63 -3.280 -4.949 -7.652 1.00 0.19 C ATOM 1008 O GLU A 63 -3.909 -5.519 -8.540 1.00 0.24 O ATOM 1009 CB GLU A 63 -1.351 -3.509 -8.240 1.00 0.22 C ATOM 1010 CG GLU A 63 -0.684 -2.145 -8.224 1.00 0.29 C ATOM 1011 CD GLU A 63 0.715 -2.191 -8.793 1.00 1.16 C ATOM 1012 OE1 GLU A 63 1.666 -2.438 -8.024 1.00 1.58 O ATOM 1013 OE2 GLU A 63 0.878 -1.957 -10.009 1.00 1.98 O ATOM 0 H GLU A 63 -2.137 -2.344 -6.203 1.00 0.16 H new ATOM 0 HA GLU A 63 -3.424 -3.003 -8.561 1.00 0.19 H new ATOM 0 HB2 GLU A 63 -0.794 -4.179 -7.585 1.00 0.22 H new ATOM 0 HB3 GLU A 63 -1.284 -3.920 -9.248 1.00 0.22 H new ATOM 0 HG2 GLU A 63 -1.286 -1.441 -8.798 1.00 0.29 H new ATOM 0 HG3 GLU A 63 -0.647 -1.772 -7.201 1.00 0.29 H new ATOM 1020 N HIS A 64 -2.971 -5.521 -6.502 1.00 0.17 N ATOM 1021 CA HIS A 64 -3.257 -6.921 -6.236 1.00 0.19 C ATOM 1022 C HIS A 64 -4.732 -7.140 -5.967 1.00 0.19 C ATOM 1023 O HIS A 64 -5.345 -8.054 -6.519 1.00 0.24 O ATOM 1024 CB HIS A 64 -2.413 -7.402 -5.059 1.00 0.20 C ATOM 1025 CG HIS A 64 -1.049 -7.847 -5.486 1.00 0.58 C ATOM 1026 ND1 HIS A 64 0.012 -6.985 -5.648 1.00 1.50 N ATOM 1027 CD2 HIS A 64 -0.590 -9.072 -5.829 1.00 1.13 C ATOM 1028 CE1 HIS A 64 1.061 -7.658 -6.081 1.00 1.68 C ATOM 1029 NE2 HIS A 64 0.727 -8.930 -6.200 1.00 1.33 N ATOM 0 H HIS A 64 -2.518 -5.032 -5.730 1.00 0.17 H new ATOM 0 HA HIS A 64 -2.999 -7.503 -7.121 1.00 0.19 H new ATOM 0 HB2 HIS A 64 -2.319 -6.598 -4.329 1.00 0.20 H new ATOM 0 HB3 HIS A 64 -2.923 -8.227 -4.561 1.00 0.20 H new ATOM 0 HD1 HIS A 64 -0.009 -5.982 -5.462 1.00 1.50 H new ATOM 0 HD2 HIS A 64 -1.154 -9.993 -5.814 1.00 1.13 H new ATOM 0 HE1 HIS A 64 2.031 -7.238 -6.301 1.00 1.68 H new ATOM 1038 N ALA A 65 -5.301 -6.288 -5.139 1.00 0.15 N ATOM 1039 CA ALA A 65 -6.706 -6.383 -4.813 1.00 0.16 C ATOM 1040 C ALA A 65 -7.565 -6.143 -6.043 1.00 0.15 C ATOM 1041 O ALA A 65 -8.376 -6.986 -6.408 1.00 0.17 O ATOM 1042 CB ALA A 65 -7.061 -5.400 -3.719 1.00 0.20 C ATOM 0 H ALA A 65 -4.810 -5.521 -4.680 1.00 0.15 H new ATOM 0 HA ALA A 65 -6.905 -7.392 -4.452 1.00 0.16 H new ATOM 0 HB1 ALA A 65 -8.122 -5.484 -3.485 1.00 0.20 H new ATOM 0 HB2 ALA A 65 -6.474 -5.620 -2.827 1.00 0.20 H new ATOM 0 HB3 ALA A 65 -6.843 -4.387 -4.056 1.00 0.20 H new ATOM 1048 N SER A 66 -7.366 -5.003 -6.693 1.00 0.16 N ATOM 1049 CA SER A 66 -8.158 -4.640 -7.868 1.00 0.20 C ATOM 1050 C SER A 66 -8.142 -5.741 -8.935 1.00 0.24 C ATOM 1051 O SER A 66 -9.178 -6.053 -9.534 1.00 0.31 O ATOM 1052 CB SER A 66 -7.650 -3.321 -8.462 1.00 0.24 C ATOM 1053 OG SER A 66 -8.522 -2.841 -9.474 1.00 1.21 O ATOM 0 H SER A 66 -6.664 -4.312 -6.429 1.00 0.16 H new ATOM 0 HA SER A 66 -9.190 -4.516 -7.541 1.00 0.20 H new ATOM 0 HB2 SER A 66 -7.560 -2.575 -7.672 1.00 0.24 H new ATOM 0 HB3 SER A 66 -6.653 -3.467 -8.877 1.00 0.24 H new ATOM 0 HG SER A 66 -8.174 -1.998 -9.833 1.00 1.21 H new ATOM 1059 N SER A 67 -6.982 -6.351 -9.152 1.00 0.25 N ATOM 1060 CA SER A 67 -6.848 -7.381 -10.176 1.00 0.33 C ATOM 1061 C SER A 67 -7.514 -8.688 -9.741 1.00 0.34 C ATOM 1062 O SER A 67 -7.967 -9.472 -10.576 1.00 0.44 O ATOM 1063 CB SER A 67 -5.369 -7.622 -10.480 1.00 0.39 C ATOM 1064 OG SER A 67 -4.723 -6.415 -10.851 1.00 1.20 O ATOM 0 H SER A 67 -6.125 -6.152 -8.636 1.00 0.25 H new ATOM 0 HA SER A 67 -7.352 -7.031 -11.077 1.00 0.33 H new ATOM 0 HB2 SER A 67 -4.879 -8.047 -9.604 1.00 0.39 H new ATOM 0 HB3 SER A 67 -5.274 -8.352 -11.284 1.00 0.39 H new ATOM 0 HG SER A 67 -4.259 -6.040 -10.073 1.00 1.20 H new ATOM 1070 N HIS A 68 -7.581 -8.911 -8.435 1.00 0.29 N ATOM 1071 CA HIS A 68 -8.140 -10.146 -7.896 1.00 0.35 C ATOM 1072 C HIS A 68 -9.573 -9.923 -7.405 1.00 0.37 C ATOM 1073 O HIS A 68 -10.163 -10.799 -6.776 1.00 0.44 O ATOM 1074 CB HIS A 68 -7.257 -10.659 -6.753 1.00 0.37 C ATOM 1075 CG HIS A 68 -7.452 -12.109 -6.419 1.00 0.48 C ATOM 1076 ND1 HIS A 68 -6.941 -13.128 -7.187 1.00 1.25 N ATOM 1077 CD2 HIS A 68 -8.082 -12.707 -5.381 1.00 1.16 C ATOM 1078 CE1 HIS A 68 -7.244 -14.288 -6.637 1.00 1.03 C ATOM 1079 NE2 HIS A 68 -7.935 -14.063 -5.536 1.00 0.82 N ATOM 0 H HIS A 68 -7.255 -8.252 -7.728 1.00 0.29 H new ATOM 0 HA HIS A 68 -8.167 -10.894 -8.689 1.00 0.35 H new ATOM 0 HB2 HIS A 68 -6.212 -10.497 -7.017 1.00 0.37 H new ATOM 0 HB3 HIS A 68 -7.456 -10.064 -5.862 1.00 0.37 H new ATOM 0 HD2 HIS A 68 -8.605 -12.209 -4.578 1.00 1.16 H new ATOM 0 HE1 HIS A 68 -6.972 -15.259 -7.023 1.00 1.03 H new ATOM 0 HE2 HIS A 68 -8.299 -14.777 -4.905 1.00 0.82 H new ATOM 1088 N SER A 69 -10.115 -8.741 -7.702 1.00 0.33 N ATOM 1089 CA SER A 69 -11.474 -8.371 -7.300 1.00 0.37 C ATOM 1090 C SER A 69 -11.598 -8.310 -5.776 1.00 0.34 C ATOM 1091 O SER A 69 -12.633 -8.651 -5.201 1.00 0.54 O ATOM 1092 CB SER A 69 -12.486 -9.351 -7.897 1.00 0.47 C ATOM 1093 OG SER A 69 -12.376 -9.374 -9.312 1.00 1.12 O ATOM 0 H SER A 69 -9.627 -8.015 -8.226 1.00 0.33 H new ATOM 0 HA SER A 69 -11.690 -7.375 -7.687 1.00 0.37 H new ATOM 0 HB2 SER A 69 -12.315 -10.350 -7.496 1.00 0.47 H new ATOM 0 HB3 SER A 69 -13.496 -9.061 -7.609 1.00 0.47 H new ATOM 0 HG SER A 69 -13.028 -10.006 -9.681 1.00 1.12 H new ATOM 1099 N ILE A 70 -10.535 -7.840 -5.140 1.00 0.22 N ATOM 1100 CA ILE A 70 -10.490 -7.708 -3.698 1.00 0.21 C ATOM 1101 C ILE A 70 -10.709 -6.250 -3.293 1.00 0.19 C ATOM 1102 O ILE A 70 -10.263 -5.332 -3.980 1.00 0.20 O ATOM 1103 CB ILE A 70 -9.134 -8.221 -3.136 1.00 0.23 C ATOM 1104 CG1 ILE A 70 -8.943 -9.699 -3.488 1.00 0.30 C ATOM 1105 CG2 ILE A 70 -9.056 -8.031 -1.630 1.00 0.27 C ATOM 1106 CD1 ILE A 70 -7.662 -10.295 -2.942 1.00 0.36 C ATOM 0 H ILE A 70 -9.682 -7.541 -5.612 1.00 0.22 H new ATOM 0 HA ILE A 70 -11.289 -8.318 -3.276 1.00 0.21 H new ATOM 0 HB ILE A 70 -8.336 -7.636 -3.594 1.00 0.23 H new ATOM 0 HG12 ILE A 70 -9.790 -10.267 -3.104 1.00 0.30 H new ATOM 0 HG13 ILE A 70 -8.951 -9.809 -4.572 1.00 0.30 H new ATOM 0 HG21 ILE A 70 -8.097 -8.399 -1.266 1.00 0.27 H new ATOM 0 HG22 ILE A 70 -9.153 -6.972 -1.391 1.00 0.27 H new ATOM 0 HG23 ILE A 70 -9.863 -8.586 -1.151 1.00 0.27 H new ATOM 0 HD11 ILE A 70 -7.596 -11.344 -3.232 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -6.807 -9.753 -3.346 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -7.659 -10.218 -1.855 1.00 0.36 H new ATOM 1118 N SER A 71 -11.412 -6.045 -2.190 1.00 0.19 N ATOM 1119 CA SER A 71 -11.613 -4.716 -1.642 1.00 0.19 C ATOM 1120 C SER A 71 -10.508 -4.437 -0.633 1.00 0.17 C ATOM 1121 O SER A 71 -9.808 -5.352 -0.232 1.00 0.19 O ATOM 1122 CB SER A 71 -12.986 -4.627 -0.976 1.00 0.23 C ATOM 1123 OG SER A 71 -14.020 -4.953 -1.895 1.00 1.01 O ATOM 0 H SER A 71 -11.856 -6.791 -1.654 1.00 0.19 H new ATOM 0 HA SER A 71 -11.576 -3.972 -2.438 1.00 0.19 H new ATOM 0 HB2 SER A 71 -13.025 -5.305 -0.123 1.00 0.23 H new ATOM 0 HB3 SER A 71 -13.142 -3.620 -0.590 1.00 0.23 H new ATOM 0 HG SER A 71 -14.889 -4.891 -1.446 1.00 1.01 H new ATOM 1129 N ILE A 72 -10.336 -3.192 -0.223 1.00 0.15 N ATOM 1130 CA ILE A 72 -9.202 -2.831 0.621 1.00 0.14 C ATOM 1131 C ILE A 72 -9.613 -1.867 1.750 1.00 0.14 C ATOM 1132 O ILE A 72 -10.645 -1.197 1.677 1.00 0.16 O ATOM 1133 CB ILE A 72 -8.063 -2.215 -0.255 1.00 0.14 C ATOM 1134 CG1 ILE A 72 -7.404 -3.295 -1.119 1.00 0.16 C ATOM 1135 CG2 ILE A 72 -7.007 -1.492 0.570 1.00 0.14 C ATOM 1136 CD1 ILE A 72 -6.094 -2.860 -1.741 1.00 0.20 C ATOM 0 H ILE A 72 -10.959 -2.418 -0.456 1.00 0.15 H new ATOM 0 HA ILE A 72 -8.831 -3.738 1.098 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.534 -1.471 -0.897 1.00 0.14 H new ATOM 0 HG12 ILE A 72 -7.230 -4.181 -0.508 1.00 0.16 H new ATOM 0 HG13 ILE A 72 -8.094 -3.585 -1.911 1.00 0.16 H new ATOM 0 HG21 ILE A 72 -6.243 -1.086 -0.093 1.00 0.14 H new ATOM 0 HG22 ILE A 72 -7.474 -0.679 1.127 1.00 0.14 H new ATOM 0 HG23 ILE A 72 -6.547 -2.193 1.267 1.00 0.14 H new ATOM 0 HD11 ILE A 72 -5.686 -3.676 -2.338 1.00 0.20 H new ATOM 0 HD12 ILE A 72 -6.264 -1.993 -2.379 1.00 0.20 H new ATOM 0 HD13 ILE A 72 -5.387 -2.598 -0.954 1.00 0.20 H new ATOM 1148 N ILE A 73 -8.806 -1.856 2.803 1.00 0.13 N ATOM 1149 CA ILE A 73 -8.925 -0.936 3.928 1.00 0.13 C ATOM 1150 C ILE A 73 -7.512 -0.517 4.334 1.00 0.13 C ATOM 1151 O ILE A 73 -6.744 -1.332 4.829 1.00 0.13 O ATOM 1152 CB ILE A 73 -9.604 -1.613 5.145 1.00 0.14 C ATOM 1153 CG1 ILE A 73 -11.104 -1.818 4.904 1.00 0.19 C ATOM 1154 CG2 ILE A 73 -9.359 -0.811 6.420 1.00 0.15 C ATOM 1155 CD1 ILE A 73 -11.906 -0.536 4.877 1.00 0.24 C ATOM 0 H ILE A 73 -8.027 -2.507 2.901 1.00 0.13 H new ATOM 0 HA ILE A 73 -9.535 -0.084 3.628 1.00 0.13 H new ATOM 0 HB ILE A 73 -9.153 -2.597 5.272 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -11.241 -2.340 3.957 1.00 0.19 H new ATOM 0 HG13 ILE A 73 -11.501 -2.466 5.685 1.00 0.19 H new ATOM 0 HG21 ILE A 73 -9.845 -1.306 7.260 1.00 0.15 H new ATOM 0 HG22 ILE A 73 -8.287 -0.745 6.608 1.00 0.15 H new ATOM 0 HG23 ILE A 73 -9.769 0.192 6.303 1.00 0.15 H new ATOM 0 HD11 ILE A 73 -12.957 -0.768 4.702 1.00 0.24 H new ATOM 0 HD12 ILE A 73 -11.802 -0.022 5.832 1.00 0.24 H new ATOM 0 HD13 ILE A 73 -11.538 0.107 4.077 1.00 0.24 H new ATOM 1167 N PRO A 74 -7.124 0.732 4.090 1.00 0.17 N ATOM 1168 CA PRO A 74 -5.772 1.188 4.358 1.00 0.18 C ATOM 1169 C PRO A 74 -5.579 1.771 5.763 1.00 0.17 C ATOM 1170 O PRO A 74 -5.997 2.894 6.045 1.00 0.19 O ATOM 1171 CB PRO A 74 -5.554 2.260 3.280 1.00 0.23 C ATOM 1172 CG PRO A 74 -6.915 2.572 2.709 1.00 0.31 C ATOM 1173 CD PRO A 74 -7.931 1.798 3.511 1.00 0.23 C ATOM 0 HA PRO A 74 -5.058 0.365 4.326 1.00 0.18 H new ATOM 0 HB2 PRO A 74 -5.098 3.153 3.707 1.00 0.23 H new ATOM 0 HB3 PRO A 74 -4.880 1.898 2.503 1.00 0.23 H new ATOM 0 HG2 PRO A 74 -7.118 3.642 2.763 1.00 0.31 H new ATOM 0 HG3 PRO A 74 -6.963 2.292 1.657 1.00 0.31 H new ATOM 0 HD2 PRO A 74 -8.400 2.415 4.278 1.00 0.23 H new ATOM 0 HD3 PRO A 74 -8.732 1.407 2.883 1.00 0.23 H new ATOM 1181 N SER A 75 -4.945 0.994 6.639 1.00 0.16 N ATOM 1182 CA SER A 75 -4.492 1.498 7.933 1.00 0.17 C ATOM 1183 C SER A 75 -3.237 2.343 7.712 1.00 0.16 C ATOM 1184 O SER A 75 -2.828 3.149 8.546 1.00 0.20 O ATOM 1185 CB SER A 75 -4.213 0.329 8.880 1.00 0.20 C ATOM 1186 OG SER A 75 -5.382 -0.454 9.065 1.00 1.19 O ATOM 0 H SER A 75 -4.733 0.010 6.475 1.00 0.16 H new ATOM 0 HA SER A 75 -5.263 2.117 8.391 1.00 0.17 H new ATOM 0 HB2 SER A 75 -3.414 -0.291 8.475 1.00 0.20 H new ATOM 0 HB3 SER A 75 -3.866 0.708 9.842 1.00 0.20 H new ATOM 0 HG SER A 75 -5.328 -1.258 8.508 1.00 1.19 H new ATOM 1192 N CYS A 76 -2.659 2.126 6.540 1.00 0.17 N ATOM 1193 CA CYS A 76 -1.608 2.950 5.940 1.00 0.17 C ATOM 1194 C CYS A 76 -2.116 4.349 5.591 1.00 0.16 C ATOM 1195 O CYS A 76 -1.547 5.018 4.731 1.00 0.20 O ATOM 1196 CB CYS A 76 -1.042 2.263 4.713 1.00 0.25 C ATOM 1197 SG CYS A 76 -0.685 0.533 5.011 1.00 0.90 S ATOM 0 H CYS A 76 -2.919 1.335 5.950 1.00 0.17 H new ATOM 0 HA CYS A 76 -0.814 3.068 6.677 1.00 0.17 H new ATOM 0 HB2 CYS A 76 -1.752 2.349 3.890 1.00 0.25 H new ATOM 0 HB3 CYS A 76 -0.130 2.772 4.402 1.00 0.25 H new ATOM 0 HG CYS A 76 -1.537 0.056 5.869 1.00 0.90 H new ATOM 1203 N SER A 77 -3.264 4.708 6.156 1.00 0.20 N ATOM 1204 CA SER A 77 -4.035 5.891 5.789 1.00 0.25 C ATOM 1205 C SER A 77 -3.225 7.199 5.694 1.00 0.24 C ATOM 1206 O SER A 77 -3.770 8.215 5.278 1.00 0.26 O ATOM 1207 CB SER A 77 -5.167 6.059 6.801 1.00 0.34 C ATOM 1208 OG SER A 77 -4.691 5.892 8.128 1.00 0.71 O ATOM 0 H SER A 77 -3.697 4.167 6.905 1.00 0.20 H new ATOM 0 HA SER A 77 -4.406 5.716 4.779 1.00 0.25 H new ATOM 0 HB2 SER A 77 -5.613 7.048 6.692 1.00 0.34 H new ATOM 0 HB3 SER A 77 -5.952 5.331 6.598 1.00 0.34 H new ATOM 0 HG SER A 77 -5.433 6.005 8.758 1.00 0.71 H new ATOM 1214 N TYR A 78 -1.946 7.192 6.062 1.00 0.23 N ATOM 1215 CA TYR A 78 -1.058 8.282 5.665 1.00 0.24 C ATOM 1216 C TYR A 78 -1.072 8.374 4.141 1.00 0.20 C ATOM 1217 O TYR A 78 -1.234 9.448 3.563 1.00 0.21 O ATOM 1218 CB TYR A 78 0.381 8.046 6.171 1.00 0.27 C ATOM 1219 CG TYR A 78 1.455 8.351 5.133 1.00 0.24 C ATOM 1220 CD1 TYR A 78 1.859 9.655 4.869 1.00 0.24 C ATOM 1221 CD2 TYR A 78 2.044 7.325 4.401 1.00 0.26 C ATOM 1222 CE1 TYR A 78 2.819 9.925 3.907 1.00 0.25 C ATOM 1223 CE2 TYR A 78 3.004 7.585 3.440 1.00 0.27 C ATOM 1224 CZ TYR A 78 3.387 8.887 3.194 1.00 0.25 C ATOM 1225 OH TYR A 78 4.343 9.155 2.234 1.00 0.30 O ATOM 0 H TYR A 78 -1.508 6.461 6.622 1.00 0.23 H new ATOM 0 HA TYR A 78 -1.408 9.214 6.108 1.00 0.24 H new ATOM 0 HB2 TYR A 78 0.553 8.665 7.051 1.00 0.27 H new ATOM 0 HB3 TYR A 78 0.479 7.008 6.488 1.00 0.27 H new ATOM 0 HD1 TYR A 78 1.417 10.470 5.423 1.00 0.24 H new ATOM 0 HD2 TYR A 78 1.745 6.304 4.587 1.00 0.26 H new ATOM 0 HE1 TYR A 78 3.122 10.944 3.715 1.00 0.25 H new ATOM 0 HE2 TYR A 78 3.451 6.773 2.885 1.00 0.27 H new ATOM 0 HH TYR A 78 4.839 9.963 2.483 1.00 0.30 H new ATOM 1235 N VAL A 79 -0.934 7.212 3.510 1.00 0.18 N ATOM 1236 CA VAL A 79 -0.967 7.096 2.066 1.00 0.17 C ATOM 1237 C VAL A 79 -2.343 7.442 1.548 1.00 0.18 C ATOM 1238 O VAL A 79 -2.493 8.297 0.686 1.00 0.19 O ATOM 1239 CB VAL A 79 -0.633 5.667 1.595 1.00 0.18 C ATOM 1240 CG1 VAL A 79 -0.736 5.570 0.079 1.00 0.20 C ATOM 1241 CG2 VAL A 79 0.744 5.243 2.074 1.00 0.18 C ATOM 0 H VAL A 79 -0.796 6.324 3.993 1.00 0.18 H new ATOM 0 HA VAL A 79 -0.218 7.786 1.678 1.00 0.17 H new ATOM 0 HB VAL A 79 -1.361 4.984 2.033 1.00 0.18 H new ATOM 0 HG11 VAL A 79 -0.497 4.555 -0.238 1.00 0.20 H new ATOM 0 HG12 VAL A 79 -1.750 5.818 -0.233 1.00 0.20 H new ATOM 0 HG13 VAL A 79 -0.034 6.267 -0.379 1.00 0.20 H new ATOM 0 HG21 VAL A 79 0.954 4.231 1.728 1.00 0.18 H new ATOM 0 HG22 VAL A 79 1.494 5.926 1.675 1.00 0.18 H new ATOM 0 HG23 VAL A 79 0.774 5.267 3.163 1.00 0.18 H new ATOM 1251 N SER A 80 -3.353 6.787 2.102 1.00 0.20 N ATOM 1252 CA SER A 80 -4.707 6.913 1.573 1.00 0.25 C ATOM 1253 C SER A 80 -5.194 8.357 1.658 1.00 0.23 C ATOM 1254 O SER A 80 -5.912 8.836 0.786 1.00 0.23 O ATOM 1255 CB SER A 80 -5.673 5.979 2.308 1.00 0.36 C ATOM 1256 OG SER A 80 -5.821 6.342 3.662 1.00 0.99 O ATOM 0 H SER A 80 -3.265 6.169 2.909 1.00 0.20 H new ATOM 0 HA SER A 80 -4.681 6.621 0.523 1.00 0.25 H new ATOM 0 HB2 SER A 80 -6.646 6.002 1.817 1.00 0.36 H new ATOM 0 HB3 SER A 80 -5.308 4.954 2.244 1.00 0.36 H new ATOM 0 HG SER A 80 -6.445 5.726 4.100 1.00 0.99 H new ATOM 1262 N ASP A 81 -4.759 9.048 2.694 1.00 0.24 N ATOM 1263 CA ASP A 81 -5.181 10.416 2.944 1.00 0.25 C ATOM 1264 C ASP A 81 -4.624 11.377 1.897 1.00 0.25 C ATOM 1265 O ASP A 81 -5.363 12.168 1.325 1.00 0.27 O ATOM 1266 CB ASP A 81 -4.739 10.844 4.346 1.00 0.31 C ATOM 1267 CG ASP A 81 -5.004 12.304 4.645 1.00 0.38 C ATOM 1268 OD1 ASP A 81 -6.145 12.760 4.460 1.00 0.48 O ATOM 1269 OD2 ASP A 81 -4.072 12.993 5.110 1.00 0.47 O ATOM 0 H ASP A 81 -4.105 8.680 3.385 1.00 0.24 H new ATOM 0 HA ASP A 81 -6.268 10.453 2.877 1.00 0.25 H new ATOM 0 HB2 ASP A 81 -5.256 10.231 5.084 1.00 0.31 H new ATOM 0 HB3 ASP A 81 -3.673 10.646 4.458 1.00 0.31 H new ATOM 1274 N THR A 82 -3.320 11.330 1.665 1.00 0.23 N ATOM 1275 CA THR A 82 -2.705 12.222 0.686 1.00 0.25 C ATOM 1276 C THR A 82 -2.733 11.640 -0.736 1.00 0.22 C ATOM 1277 O THR A 82 -3.156 12.306 -1.687 1.00 0.23 O ATOM 1278 CB THR A 82 -1.255 12.607 1.084 1.00 0.28 C ATOM 1279 OG1 THR A 82 -0.691 13.496 0.107 1.00 0.31 O ATOM 1280 CG2 THR A 82 -0.359 11.385 1.238 1.00 0.26 C ATOM 0 H THR A 82 -2.673 10.695 2.132 1.00 0.23 H new ATOM 0 HA THR A 82 -3.310 13.129 0.684 1.00 0.25 H new ATOM 0 HB THR A 82 -1.309 13.106 2.051 1.00 0.28 H new ATOM 0 HG1 THR A 82 0.223 13.733 0.369 1.00 0.31 H new ATOM 0 HG21 THR A 82 0.646 11.703 1.517 1.00 0.26 H new ATOM 0 HG22 THR A 82 -0.762 10.734 2.014 1.00 0.26 H new ATOM 0 HG23 THR A 82 -0.318 10.842 0.294 1.00 0.26 H new ATOM 1288 N PHE A 83 -2.305 10.392 -0.867 1.00 0.19 N ATOM 1289 CA PHE A 83 -2.039 9.785 -2.167 1.00 0.19 C ATOM 1290 C PHE A 83 -3.312 9.450 -2.931 1.00 0.19 C ATOM 1291 O PHE A 83 -3.358 9.597 -4.148 1.00 0.21 O ATOM 1292 CB PHE A 83 -1.215 8.522 -1.981 1.00 0.18 C ATOM 1293 CG PHE A 83 -0.322 8.200 -3.142 1.00 0.80 C ATOM 1294 CD1 PHE A 83 0.538 9.153 -3.661 1.00 0.81 C ATOM 1295 CD2 PHE A 83 -0.356 6.944 -3.725 1.00 1.54 C ATOM 1296 CE1 PHE A 83 1.350 8.858 -4.739 1.00 1.50 C ATOM 1297 CE2 PHE A 83 0.453 6.643 -4.804 1.00 2.25 C ATOM 1298 CZ PHE A 83 1.355 7.604 -5.276 1.00 2.24 C ATOM 0 H PHE A 83 -2.132 9.771 -0.077 1.00 0.19 H new ATOM 0 HA PHE A 83 -1.489 10.518 -2.757 1.00 0.19 H new ATOM 0 HB2 PHE A 83 -0.604 8.628 -1.084 1.00 0.18 H new ATOM 0 HB3 PHE A 83 -1.889 7.683 -1.810 1.00 0.18 H new ATOM 0 HD1 PHE A 83 0.574 10.137 -3.218 1.00 0.81 H new ATOM 0 HD2 PHE A 83 -1.023 6.191 -3.332 1.00 1.54 H new ATOM 0 HE1 PHE A 83 1.984 9.624 -5.159 1.00 1.50 H new ATOM 0 HE2 PHE A 83 0.390 5.675 -5.279 1.00 2.25 H new ATOM 0 HZ PHE A 83 2.052 7.354 -6.062 1.00 2.24 H new ATOM 1308 N LEU A 84 -4.340 8.993 -2.228 1.00 0.18 N ATOM 1309 CA LEU A 84 -5.577 8.587 -2.896 1.00 0.19 C ATOM 1310 C LEU A 84 -6.259 9.758 -3.605 1.00 0.22 C ATOM 1311 O LEU A 84 -6.701 9.609 -4.737 1.00 0.26 O ATOM 1312 CB LEU A 84 -6.525 7.901 -1.919 1.00 0.20 C ATOM 1313 CG LEU A 84 -6.201 6.429 -1.670 1.00 0.25 C ATOM 1314 CD1 LEU A 84 -7.125 5.848 -0.628 1.00 0.35 C ATOM 1315 CD2 LEU A 84 -6.314 5.642 -2.959 1.00 0.34 C ATOM 0 H LEU A 84 -4.347 8.894 -1.213 1.00 0.18 H new ATOM 0 HA LEU A 84 -5.306 7.866 -3.667 1.00 0.19 H new ATOM 0 HB2 LEU A 84 -6.499 8.434 -0.969 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -7.543 7.979 -2.301 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.177 6.362 -1.302 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -6.877 4.799 -0.466 1.00 0.35 H new ATOM 0 HD12 LEU A 84 -7.010 6.397 0.307 1.00 0.35 H new ATOM 0 HD13 LEU A 84 -8.156 5.928 -0.971 1.00 0.35 H new ATOM 0 HD21 LEU A 84 -6.081 4.595 -2.767 1.00 0.34 H new ATOM 0 HD22 LEU A 84 -7.330 5.722 -3.347 1.00 0.34 H new ATOM 0 HD23 LEU A 84 -5.613 6.042 -3.692 1.00 0.34 H new ATOM 1327 N PRO A 85 -6.369 10.938 -2.967 1.00 0.22 N ATOM 1328 CA PRO A 85 -6.845 12.142 -3.648 1.00 0.26 C ATOM 1329 C PRO A 85 -5.888 12.596 -4.748 1.00 0.28 C ATOM 1330 O PRO A 85 -6.286 13.295 -5.681 1.00 0.33 O ATOM 1331 CB PRO A 85 -6.911 13.202 -2.547 1.00 0.28 C ATOM 1332 CG PRO A 85 -6.857 12.452 -1.265 1.00 0.30 C ATOM 1333 CD PRO A 85 -6.111 11.180 -1.541 1.00 0.22 C ATOM 0 HA PRO A 85 -7.803 11.966 -4.138 1.00 0.26 H new ATOM 0 HB2 PRO A 85 -6.079 13.902 -2.627 1.00 0.28 H new ATOM 0 HB3 PRO A 85 -7.828 13.787 -2.621 1.00 0.28 H new ATOM 0 HG2 PRO A 85 -6.353 13.037 -0.495 1.00 0.30 H new ATOM 0 HG3 PRO A 85 -7.861 12.240 -0.898 1.00 0.30 H new ATOM 0 HD2 PRO A 85 -5.045 11.287 -1.338 1.00 0.22 H new ATOM 0 HD3 PRO A 85 -6.473 10.359 -0.922 1.00 0.22 H new ATOM 1341 N ARG A 86 -4.626 12.202 -4.624 1.00 0.27 N ATOM 1342 CA ARG A 86 -3.610 12.534 -5.614 1.00 0.31 C ATOM 1343 C ARG A 86 -3.796 11.696 -6.880 1.00 0.35 C ATOM 1344 O ARG A 86 -3.591 12.179 -7.994 1.00 0.48 O ATOM 1345 CB ARG A 86 -2.216 12.323 -5.014 1.00 0.33 C ATOM 1346 CG ARG A 86 -1.076 12.533 -5.995 1.00 0.75 C ATOM 1347 CD ARG A 86 0.268 12.446 -5.293 1.00 0.72 C ATOM 1348 NE ARG A 86 1.384 12.434 -6.238 1.00 1.43 N ATOM 1349 CZ ARG A 86 2.660 12.588 -5.885 1.00 1.69 C ATOM 1350 NH1 ARG A 86 2.977 12.848 -4.624 1.00 1.44 N ATOM 1351 NH2 ARG A 86 3.619 12.504 -6.798 1.00 2.56 N ATOM 0 H ARG A 86 -4.281 11.648 -3.841 1.00 0.27 H new ATOM 0 HA ARG A 86 -3.714 13.582 -5.893 1.00 0.31 H new ATOM 0 HB2 ARG A 86 -2.088 13.006 -4.174 1.00 0.33 H new ATOM 0 HB3 ARG A 86 -2.154 11.311 -4.614 1.00 0.33 H new ATOM 0 HG2 ARG A 86 -1.128 11.783 -6.784 1.00 0.75 H new ATOM 0 HG3 ARG A 86 -1.178 13.507 -6.474 1.00 0.75 H new ATOM 0 HD2 ARG A 86 0.377 13.292 -4.615 1.00 0.72 H new ATOM 0 HD3 ARG A 86 0.300 11.543 -4.684 1.00 0.72 H new ATOM 0 HE ARG A 86 1.173 12.300 -7.227 1.00 1.43 H new ATOM 0 HH11 ARG A 86 2.243 12.931 -3.920 1.00 1.44 H new ATOM 0 HH12 ARG A 86 3.955 12.965 -4.358 1.00 1.44 H new ATOM 0 HH21 ARG A 86 3.381 12.321 -7.773 1.00 2.56 H new ATOM 0 HH22 ARG A 86 4.595 12.622 -6.525 1.00 2.56 H new ATOM 1365 N ASN A 87 -4.186 10.440 -6.706 1.00 0.30 N ATOM 1366 CA ASN A 87 -4.520 9.579 -7.836 1.00 0.37 C ATOM 1367 C ASN A 87 -5.707 8.682 -7.497 1.00 0.34 C ATOM 1368 O ASN A 87 -5.549 7.529 -7.100 1.00 0.35 O ATOM 1369 CB ASN A 87 -3.306 8.751 -8.304 1.00 0.50 C ATOM 1370 CG ASN A 87 -2.600 7.994 -7.187 1.00 0.95 C ATOM 1371 OD1 ASN A 87 -2.916 6.841 -6.893 1.00 1.78 O ATOM 1372 ND2 ASN A 87 -1.618 8.634 -6.574 1.00 1.22 N ATOM 0 H ASN A 87 -4.279 9.994 -5.794 1.00 0.30 H new ATOM 0 HA ASN A 87 -4.806 10.222 -8.669 1.00 0.37 H new ATOM 0 HB2 ASN A 87 -3.636 8.038 -9.059 1.00 0.50 H new ATOM 0 HB3 ASN A 87 -2.590 9.417 -8.786 1.00 0.50 H new ATOM 0 HD21 ASN A 87 -1.094 8.172 -5.830 1.00 1.22 H new ATOM 0 HD22 ASN A 87 -1.385 9.589 -6.845 1.00 1.22 H new ATOM 1379 N PRO A 88 -6.928 9.219 -7.621 1.00 0.38 N ATOM 1380 CA PRO A 88 -8.144 8.492 -7.285 1.00 0.42 C ATOM 1381 C PRO A 88 -8.498 7.451 -8.337 1.00 0.49 C ATOM 1382 O PRO A 88 -9.233 7.734 -9.286 1.00 0.89 O ATOM 1383 CB PRO A 88 -9.228 9.581 -7.222 1.00 0.53 C ATOM 1384 CG PRO A 88 -8.507 10.884 -7.361 1.00 0.51 C ATOM 1385 CD PRO A 88 -7.227 10.578 -8.080 1.00 0.46 C ATOM 0 HA PRO A 88 -8.036 7.938 -6.352 1.00 0.42 H new ATOM 0 HB2 PRO A 88 -9.959 9.452 -8.020 1.00 0.53 H new ATOM 0 HB3 PRO A 88 -9.774 9.535 -6.280 1.00 0.53 H new ATOM 0 HG2 PRO A 88 -9.106 11.603 -7.921 1.00 0.51 H new ATOM 0 HG3 PRO A 88 -8.309 11.326 -6.384 1.00 0.51 H new ATOM 0 HD2 PRO A 88 -7.347 10.624 -9.162 1.00 0.46 H new ATOM 0 HD3 PRO A 88 -6.435 11.279 -7.817 1.00 0.46 H new ATOM 1393 N SER A 89 -7.942 6.259 -8.190 1.00 0.30 N ATOM 1394 CA SER A 89 -8.239 5.170 -9.106 1.00 0.36 C ATOM 1395 C SER A 89 -8.450 3.873 -8.332 1.00 0.34 C ATOM 1396 O SER A 89 -8.681 2.812 -8.909 1.00 0.42 O ATOM 1397 CB SER A 89 -7.097 5.013 -10.116 1.00 0.44 C ATOM 1398 OG SER A 89 -7.507 4.267 -11.248 1.00 1.37 O ATOM 0 H SER A 89 -7.284 6.022 -7.447 1.00 0.30 H new ATOM 0 HA SER A 89 -9.157 5.400 -9.647 1.00 0.36 H new ATOM 0 HB2 SER A 89 -6.751 5.997 -10.433 1.00 0.44 H new ATOM 0 HB3 SER A 89 -6.252 4.517 -9.638 1.00 0.44 H new ATOM 0 HG SER A 89 -8.098 3.539 -10.963 1.00 1.37 H new ATOM 1404 N TRP A 90 -8.384 3.970 -7.011 1.00 0.30 N ATOM 1405 CA TRP A 90 -8.489 2.799 -6.151 1.00 0.28 C ATOM 1406 C TRP A 90 -9.769 2.877 -5.330 1.00 0.32 C ATOM 1407 O TRP A 90 -9.965 2.130 -4.372 1.00 0.33 O ATOM 1408 CB TRP A 90 -7.269 2.730 -5.232 1.00 0.29 C ATOM 1409 CG TRP A 90 -5.998 3.113 -5.926 1.00 0.30 C ATOM 1410 CD1 TRP A 90 -5.263 4.240 -5.709 1.00 0.35 C ATOM 1411 CD2 TRP A 90 -5.326 2.391 -6.968 1.00 0.30 C ATOM 1412 NE1 TRP A 90 -4.175 4.263 -6.536 1.00 0.38 N ATOM 1413 CE2 TRP A 90 -4.186 3.139 -7.320 1.00 0.35 C ATOM 1414 CE3 TRP A 90 -5.572 1.184 -7.631 1.00 0.29 C ATOM 1415 CZ2 TRP A 90 -3.299 2.721 -8.307 1.00 0.39 C ATOM 1416 CZ3 TRP A 90 -4.690 0.770 -8.611 1.00 0.34 C ATOM 1417 CH2 TRP A 90 -3.565 1.537 -8.941 1.00 0.38 C ATOM 0 H TRP A 90 -8.258 4.850 -6.511 1.00 0.30 H new ATOM 0 HA TRP A 90 -8.522 1.898 -6.763 1.00 0.28 H new ATOM 0 HB2 TRP A 90 -7.425 3.390 -4.379 1.00 0.29 H new ATOM 0 HB3 TRP A 90 -7.172 1.718 -4.839 1.00 0.29 H new ATOM 0 HD1 TRP A 90 -5.506 5.005 -4.987 1.00 0.35 H new ATOM 0 HE1 TRP A 90 -3.469 4.998 -6.565 1.00 0.38 H new ATOM 0 HE3 TRP A 90 -6.436 0.586 -7.381 1.00 0.29 H new ATOM 0 HZ2 TRP A 90 -2.431 3.310 -8.564 1.00 0.39 H new ATOM 0 HZ3 TRP A 90 -4.871 -0.159 -9.131 1.00 0.34 H new ATOM 0 HH2 TRP A 90 -2.894 1.187 -9.711 1.00 0.38 H new ATOM 1428 N LYS A 91 -10.642 3.787 -5.745 1.00 0.37 N ATOM 1429 CA LYS A 91 -11.907 4.038 -5.062 1.00 0.43 C ATOM 1430 C LYS A 91 -12.821 2.796 -5.039 1.00 0.41 C ATOM 1431 O LYS A 91 -13.433 2.522 -4.015 1.00 0.42 O ATOM 1432 CB LYS A 91 -12.628 5.223 -5.718 1.00 0.55 C ATOM 1433 CG LYS A 91 -13.847 5.712 -4.949 1.00 1.20 C ATOM 1434 CD LYS A 91 -14.414 6.985 -5.559 1.00 1.38 C ATOM 1435 CE LYS A 91 -15.611 7.508 -4.775 1.00 1.83 C ATOM 1436 NZ LYS A 91 -16.753 6.556 -4.792 1.00 2.61 N ATOM 0 H LYS A 91 -10.493 4.373 -6.566 1.00 0.37 H new ATOM 0 HA LYS A 91 -11.676 4.280 -4.024 1.00 0.43 H new ATOM 0 HB2 LYS A 91 -11.924 6.048 -5.825 1.00 0.55 H new ATOM 0 HB3 LYS A 91 -12.937 4.935 -6.723 1.00 0.55 H new ATOM 0 HG2 LYS A 91 -14.612 4.936 -4.946 1.00 1.20 H new ATOM 0 HG3 LYS A 91 -13.574 5.895 -3.910 1.00 1.20 H new ATOM 0 HD2 LYS A 91 -13.638 7.750 -5.589 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -14.712 6.792 -6.590 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -15.313 7.697 -3.744 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -15.929 8.462 -5.195 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -17.587 7.007 -4.365 1.00 2.61 H new ATOM 0 HZ2 LYS A 91 -16.968 6.289 -5.774 1.00 2.61 H new ATOM 0 HZ3 LYS A 91 -16.504 5.705 -4.249 1.00 2.61 H new ATOM 1450 N PRO A 92 -12.943 2.025 -6.153 1.00 0.41 N ATOM 1451 CA PRO A 92 -13.779 0.807 -6.177 1.00 0.42 C ATOM 1452 C PRO A 92 -13.378 -0.242 -5.137 1.00 0.38 C ATOM 1453 O PRO A 92 -14.166 -1.129 -4.804 1.00 0.48 O ATOM 1454 CB PRO A 92 -13.565 0.248 -7.584 1.00 0.46 C ATOM 1455 CG PRO A 92 -13.155 1.421 -8.398 1.00 0.69 C ATOM 1456 CD PRO A 92 -12.344 2.286 -7.481 1.00 0.43 C ATOM 0 HA PRO A 92 -14.814 1.049 -5.937 1.00 0.42 H new ATOM 0 HB2 PRO A 92 -12.797 -0.526 -7.590 1.00 0.46 H new ATOM 0 HB3 PRO A 92 -14.477 -0.205 -7.973 1.00 0.46 H new ATOM 0 HG2 PRO A 92 -12.570 1.112 -9.264 1.00 0.69 H new ATOM 0 HG3 PRO A 92 -14.025 1.958 -8.776 1.00 0.69 H new ATOM 0 HD2 PRO A 92 -11.287 2.019 -7.506 1.00 0.43 H new ATOM 0 HD3 PRO A 92 -12.414 3.339 -7.754 1.00 0.43 H new ATOM 1464 N LEU A 93 -12.161 -0.139 -4.629 1.00 0.30 N ATOM 1465 CA LEU A 93 -11.639 -1.125 -3.691 1.00 0.26 C ATOM 1466 C LEU A 93 -11.956 -0.727 -2.267 1.00 0.22 C ATOM 1467 O LEU A 93 -12.274 -1.560 -1.418 1.00 0.21 O ATOM 1468 CB LEU A 93 -10.128 -1.219 -3.835 1.00 0.25 C ATOM 1469 CG LEU A 93 -9.631 -1.227 -5.268 1.00 0.25 C ATOM 1470 CD1 LEU A 93 -8.142 -0.943 -5.304 1.00 0.26 C ATOM 1471 CD2 LEU A 93 -9.947 -2.557 -5.928 1.00 0.26 C ATOM 0 H LEU A 93 -11.514 0.618 -4.849 1.00 0.30 H new ATOM 0 HA LEU A 93 -12.105 -2.085 -3.914 1.00 0.26 H new ATOM 0 HB2 LEU A 93 -9.673 -0.379 -3.311 1.00 0.25 H new ATOM 0 HB3 LEU A 93 -9.785 -2.127 -3.340 1.00 0.25 H new ATOM 0 HG LEU A 93 -10.143 -0.443 -5.826 1.00 0.25 H new ATOM 0 HD11 LEU A 93 -7.795 -0.951 -6.337 1.00 0.26 H new ATOM 0 HD12 LEU A 93 -7.947 0.035 -4.863 1.00 0.26 H new ATOM 0 HD13 LEU A 93 -7.612 -1.708 -4.737 1.00 0.26 H new ATOM 0 HD21 LEU A 93 -9.585 -2.548 -6.956 1.00 0.26 H new ATOM 0 HD22 LEU A 93 -9.459 -3.361 -5.378 1.00 0.26 H new ATOM 0 HD23 LEU A 93 -11.025 -2.718 -5.925 1.00 0.26 H new ATOM 1483 N ILE A 94 -11.856 0.558 -2.012 1.00 0.27 N ATOM 1484 CA ILE A 94 -11.938 1.067 -0.664 1.00 0.22 C ATOM 1485 C ILE A 94 -13.034 2.117 -0.550 1.00 0.27 C ATOM 1486 O ILE A 94 -13.958 2.156 -1.356 1.00 0.36 O ATOM 1487 CB ILE A 94 -10.591 1.686 -0.229 1.00 0.25 C ATOM 1488 CG1 ILE A 94 -10.258 2.921 -1.050 1.00 0.39 C ATOM 1489 CG2 ILE A 94 -9.468 0.685 -0.376 1.00 0.27 C ATOM 1490 CD1 ILE A 94 -9.708 4.032 -0.200 1.00 0.75 C ATOM 0 H ILE A 94 -11.717 1.273 -2.726 1.00 0.27 H new ATOM 0 HA ILE A 94 -12.175 0.229 -0.008 1.00 0.22 H new ATOM 0 HB ILE A 94 -10.694 1.971 0.818 1.00 0.25 H new ATOM 0 HG12 ILE A 94 -9.531 2.660 -1.819 1.00 0.39 H new ATOM 0 HG13 ILE A 94 -11.155 3.268 -1.563 1.00 0.39 H new ATOM 0 HG21 ILE A 94 -8.529 1.143 -0.064 1.00 0.27 H new ATOM 0 HG22 ILE A 94 -9.672 -0.185 0.248 1.00 0.27 H new ATOM 0 HG23 ILE A 94 -9.391 0.374 -1.418 1.00 0.27 H new ATOM 0 HD11 ILE A 94 -9.484 4.894 -0.828 1.00 0.75 H new ATOM 0 HD12 ILE A 94 -10.445 4.313 0.553 1.00 0.75 H new ATOM 0 HD13 ILE A 94 -8.796 3.696 0.293 1.00 0.75 H new ATOM 1502 N HIS A 95 -12.945 2.935 0.483 1.00 0.31 N ATOM 1503 CA HIS A 95 -13.825 4.075 0.627 1.00 0.43 C ATOM 1504 C HIS A 95 -13.529 5.121 -0.453 1.00 0.39 C ATOM 1505 O HIS A 95 -14.289 5.262 -1.408 1.00 0.55 O ATOM 1506 CB HIS A 95 -13.682 4.671 2.028 1.00 0.64 C ATOM 1507 CG HIS A 95 -14.507 3.968 3.063 1.00 1.05 C ATOM 1508 ND1 HIS A 95 -15.877 3.850 2.981 1.00 2.01 N ATOM 1509 CD2 HIS A 95 -14.147 3.344 4.211 1.00 1.22 C ATOM 1510 CE1 HIS A 95 -16.323 3.190 4.033 1.00 2.24 C ATOM 1511 NE2 HIS A 95 -15.296 2.870 4.793 1.00 1.70 N ATOM 0 H HIS A 95 -12.267 2.828 1.238 1.00 0.31 H new ATOM 0 HA HIS A 95 -14.856 3.747 0.498 1.00 0.43 H new ATOM 0 HB2 HIS A 95 -12.634 4.635 2.324 1.00 0.64 H new ATOM 0 HB3 HIS A 95 -13.969 5.722 1.998 1.00 0.64 H new ATOM 0 HD2 HIS A 95 -13.143 3.239 4.596 1.00 1.22 H new ATOM 0 HE1 HIS A 95 -17.357 2.952 4.237 1.00 2.24 H new ATOM 0 HE2 HIS A 95 -15.346 2.354 5.671 1.00 1.70 H new ATOM 1520 N SER A 96 -12.408 5.826 -0.315 1.00 0.41 N ATOM 1521 CA SER A 96 -12.019 6.854 -1.282 1.00 0.49 C ATOM 1522 C SER A 96 -10.731 7.541 -0.847 1.00 0.67 C ATOM 1523 O SER A 96 -9.944 7.987 -1.679 1.00 1.53 O ATOM 1524 CB SER A 96 -13.120 7.911 -1.431 1.00 0.51 C ATOM 1525 OG SER A 96 -12.822 8.818 -2.480 1.00 1.43 O ATOM 0 H SER A 96 -11.752 5.705 0.457 1.00 0.41 H new ATOM 0 HA SER A 96 -11.863 6.359 -2.241 1.00 0.49 H new ATOM 0 HB2 SER A 96 -14.073 7.421 -1.630 1.00 0.51 H new ATOM 0 HB3 SER A 96 -13.232 8.458 -0.495 1.00 0.51 H new ATOM 0 HG SER A 96 -13.541 9.480 -2.554 1.00 1.43 H new ATOM 1531 N GLU A 97 -10.535 7.624 0.459 1.00 0.58 N ATOM 1532 CA GLU A 97 -9.430 8.356 1.033 1.00 0.52 C ATOM 1533 C GLU A 97 -9.248 7.866 2.473 1.00 0.61 C ATOM 1534 O GLU A 97 -9.659 6.747 2.784 1.00 0.83 O ATOM 1535 CB GLU A 97 -9.742 9.858 0.937 1.00 0.47 C ATOM 1536 CG GLU A 97 -8.617 10.797 1.340 1.00 1.09 C ATOM 1537 CD GLU A 97 -9.073 12.241 1.388 1.00 1.52 C ATOM 1538 OE1 GLU A 97 -9.543 12.756 0.356 1.00 1.89 O ATOM 1539 OE2 GLU A 97 -8.988 12.859 2.464 1.00 1.79 O ATOM 0 H GLU A 97 -11.143 7.182 1.149 1.00 0.58 H new ATOM 0 HA GLU A 97 -8.492 8.190 0.503 1.00 0.52 H new ATOM 0 HB2 GLU A 97 -10.028 10.085 -0.090 1.00 0.47 H new ATOM 0 HB3 GLU A 97 -10.608 10.070 1.564 1.00 0.47 H new ATOM 0 HG2 GLU A 97 -8.234 10.505 2.318 1.00 1.09 H new ATOM 0 HG3 GLU A 97 -7.793 10.700 0.633 1.00 1.09 H new