USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=27 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 Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN :FLIP amide:sc= -1.74! C(o=-4.3!,f=-1.7!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 22 HIS : no HE2:sc= 0.995 K(o=1,f=-5.7!) USER MOD Single : A 28 TYR OH : rot -119:sc= 0.663 USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= -0.552 (180deg=-0.976) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.0245 K(o=-0.025,f=-1.2) USER MOD Single : A 33 ASN : amide:sc= -0.258 K(o=-0.26,f=-0.94) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 145:sc= -1.01 (180deg=-2.35) USER MOD Single : A 41 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-1.7!) USER MOD Single : A 42 THR OG1 : rot 122:sc= 0.645 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.0057 USER MOD Single : A 48 LYS NZ :NH3+ -106:sc= 0.884 (180deg=-1.9!) USER MOD Single : A 55 SER OG : rot 180:sc=-0.00506 USER MOD Single : A 56 HIS : no HD1:sc=-0.00284 X(o=-0.0028,f=0) USER MOD Single : A 58 CYS SG : rot -72:sc= -0.466! USER MOD Single : A 64 HIS : no HE2:sc= 0.45 K(o=0.45,f=-1.6) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 77:sc= 1.24 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.189 F(o=-0.75,f=-0.19) 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 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 40:sc= -1.99 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 SER OG : rot 125:sc= -2.84! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.444 X(o=-0.44,f=-0.052) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 164:sc= -0.0457 (180deg=-0.279) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 96 SER OG : rot 44:sc= 0.133 USER MOD ----------------------------------------------------------------- ATOM 73 N PRO A 6 10.977 1.739 -8.418 1.00 0.66 N ATOM 74 CA PRO A 6 11.493 0.720 -7.504 1.00 0.47 C ATOM 75 C PRO A 6 10.998 -0.675 -7.871 1.00 0.48 C ATOM 76 O PRO A 6 10.254 -0.847 -8.839 1.00 0.62 O ATOM 77 CB PRO A 6 10.941 1.151 -6.133 1.00 0.59 C ATOM 78 CG PRO A 6 10.368 2.513 -6.351 1.00 0.87 C ATOM 79 CD PRO A 6 9.931 2.536 -7.780 1.00 0.84 C ATOM 0 HA PRO A 6 12.581 0.655 -7.530 1.00 0.47 H new ATOM 0 HB2 PRO A 6 10.180 0.456 -5.779 1.00 0.59 H new ATOM 0 HB3 PRO A 6 11.729 1.171 -5.380 1.00 0.59 H new ATOM 0 HG2 PRO A 6 9.529 2.698 -5.681 1.00 0.87 H new ATOM 0 HG3 PRO A 6 11.110 3.287 -6.154 1.00 0.87 H new ATOM 0 HD2 PRO A 6 8.942 2.097 -7.914 1.00 0.84 H new ATOM 0 HD3 PRO A 6 9.887 3.549 -8.179 1.00 0.84 H new ATOM 87 N LYS A 7 11.397 -1.665 -7.093 1.00 0.45 N ATOM 88 CA LYS A 7 11.016 -3.034 -7.361 1.00 0.52 C ATOM 89 C LYS A 7 10.544 -3.670 -6.076 1.00 0.42 C ATOM 90 O LYS A 7 11.333 -4.250 -5.331 1.00 0.42 O ATOM 91 CB LYS A 7 12.189 -3.825 -7.939 1.00 0.65 C ATOM 92 CG LYS A 7 11.770 -4.908 -8.919 1.00 1.24 C ATOM 93 CD LYS A 7 11.124 -4.301 -10.156 1.00 1.37 C ATOM 94 CE LYS A 7 12.033 -3.259 -10.789 1.00 1.70 C ATOM 95 NZ LYS A 7 11.399 -2.572 -11.945 1.00 2.49 N ATOM 0 H LYS A 7 11.986 -1.543 -6.269 1.00 0.45 H new ATOM 0 HA LYS A 7 10.213 -3.043 -8.098 1.00 0.52 H new ATOM 0 HB2 LYS A 7 12.868 -3.136 -8.441 1.00 0.65 H new ATOM 0 HB3 LYS A 7 12.746 -4.283 -7.121 1.00 0.65 H new ATOM 0 HG2 LYS A 7 12.640 -5.497 -9.210 1.00 1.24 H new ATOM 0 HG3 LYS A 7 11.070 -5.590 -8.436 1.00 1.24 H new ATOM 0 HD2 LYS A 7 10.906 -5.087 -10.880 1.00 1.37 H new ATOM 0 HD3 LYS A 7 10.172 -3.843 -9.886 1.00 1.37 H new ATOM 0 HE2 LYS A 7 12.309 -2.519 -10.038 1.00 1.70 H new ATOM 0 HE3 LYS A 7 12.955 -3.738 -11.117 1.00 1.70 H new ATOM 0 HZ1 LYS A 7 12.061 -1.873 -12.339 1.00 2.49 H new ATOM 0 HZ2 LYS A 7 11.159 -3.272 -12.676 1.00 2.49 H new ATOM 0 HZ3 LYS A 7 10.533 -2.090 -11.630 1.00 2.49 H new ATOM 109 N ILE A 8 9.268 -3.517 -5.791 1.00 0.41 N ATOM 110 CA ILE A 8 8.724 -4.009 -4.549 1.00 0.34 C ATOM 111 C ILE A 8 8.301 -5.464 -4.699 1.00 0.36 C ATOM 112 O ILE A 8 7.527 -5.819 -5.594 1.00 0.48 O ATOM 113 CB ILE A 8 7.540 -3.153 -4.033 1.00 0.45 C ATOM 114 CG1 ILE A 8 8.004 -1.770 -3.560 1.00 0.72 C ATOM 115 CG2 ILE A 8 6.866 -3.858 -2.882 1.00 0.36 C ATOM 116 CD1 ILE A 8 8.424 -0.832 -4.660 1.00 0.39 C ATOM 0 H ILE A 8 8.593 -3.057 -6.402 1.00 0.41 H new ATOM 0 HA ILE A 8 9.515 -3.935 -3.803 1.00 0.34 H new ATOM 0 HB ILE A 8 6.844 -3.021 -4.862 1.00 0.45 H new ATOM 0 HG12 ILE A 8 7.196 -1.305 -2.995 1.00 0.72 H new ATOM 0 HG13 ILE A 8 8.840 -1.899 -2.873 1.00 0.72 H new ATOM 0 HG21 ILE A 8 6.034 -3.253 -2.522 1.00 0.36 H new ATOM 0 HG22 ILE A 8 6.493 -4.826 -3.217 1.00 0.36 H new ATOM 0 HG23 ILE A 8 7.584 -4.005 -2.075 1.00 0.36 H new ATOM 0 HD11 ILE A 8 8.735 0.119 -4.228 1.00 0.39 H new ATOM 0 HD12 ILE A 8 9.256 -1.269 -5.213 1.00 0.39 H new ATOM 0 HD13 ILE A 8 7.586 -0.666 -5.337 1.00 0.39 H new ATOM 128 N VAL A 9 8.836 -6.294 -3.825 1.00 0.31 N ATOM 129 CA VAL A 9 8.608 -7.716 -3.859 1.00 0.36 C ATOM 130 C VAL A 9 7.460 -8.077 -2.930 1.00 0.34 C ATOM 131 O VAL A 9 7.055 -7.270 -2.094 1.00 0.47 O ATOM 132 CB VAL A 9 9.883 -8.474 -3.428 1.00 0.41 C ATOM 133 CG1 VAL A 9 11.112 -7.854 -4.072 1.00 0.89 C ATOM 134 CG2 VAL A 9 10.037 -8.493 -1.912 1.00 0.86 C ATOM 0 H VAL A 9 9.447 -5.992 -3.066 1.00 0.31 H new ATOM 0 HA VAL A 9 8.353 -8.005 -4.879 1.00 0.36 H new ATOM 0 HB VAL A 9 9.785 -9.505 -3.768 1.00 0.41 H new ATOM 0 HG11 VAL A 9 12.002 -8.400 -3.758 1.00 0.89 H new ATOM 0 HG12 VAL A 9 11.019 -7.905 -5.157 1.00 0.89 H new ATOM 0 HG13 VAL A 9 11.198 -6.812 -3.764 1.00 0.89 H new ATOM 0 HG21 VAL A 9 10.945 -9.035 -1.645 1.00 0.86 H new ATOM 0 HG22 VAL A 9 10.102 -7.470 -1.540 1.00 0.86 H new ATOM 0 HG23 VAL A 9 9.175 -8.988 -1.465 1.00 0.86 H new ATOM 144 N TRP A 10 6.940 -9.276 -3.073 1.00 0.33 N ATOM 145 CA TRP A 10 5.875 -9.737 -2.210 1.00 0.31 C ATOM 146 C TRP A 10 6.378 -10.861 -1.315 1.00 0.34 C ATOM 147 O TRP A 10 6.649 -11.974 -1.781 1.00 0.42 O ATOM 148 CB TRP A 10 4.674 -10.192 -3.047 1.00 0.38 C ATOM 149 CG TRP A 10 3.550 -10.785 -2.242 1.00 0.41 C ATOM 150 CD1 TRP A 10 3.267 -10.561 -0.922 1.00 0.40 C ATOM 151 CD2 TRP A 10 2.547 -11.690 -2.716 1.00 0.50 C ATOM 152 NE1 TRP A 10 2.169 -11.293 -0.543 1.00 0.46 N ATOM 153 CE2 TRP A 10 1.703 -11.987 -1.629 1.00 0.52 C ATOM 154 CE3 TRP A 10 2.281 -12.282 -3.956 1.00 0.60 C ATOM 155 CZ2 TRP A 10 0.617 -12.851 -1.744 1.00 0.62 C ATOM 156 CZ3 TRP A 10 1.203 -13.135 -4.068 1.00 0.71 C ATOM 157 CH2 TRP A 10 0.381 -13.412 -2.968 1.00 0.72 C ATOM 0 H TRP A 10 7.237 -9.950 -3.779 1.00 0.33 H new ATOM 0 HA TRP A 10 5.550 -8.914 -1.573 1.00 0.31 H new ATOM 0 HB2 TRP A 10 4.293 -9.339 -3.609 1.00 0.38 H new ATOM 0 HB3 TRP A 10 5.012 -10.929 -3.776 1.00 0.38 H new ATOM 0 HD1 TRP A 10 3.826 -9.904 -0.273 1.00 0.40 H new ATOM 0 HE1 TRP A 10 1.766 -11.316 0.394 1.00 0.46 H new ATOM 0 HE3 TRP A 10 2.909 -12.075 -4.810 1.00 0.60 H new ATOM 0 HZ2 TRP A 10 -0.016 -13.070 -0.897 1.00 0.62 H new ATOM 0 HZ3 TRP A 10 0.989 -13.597 -5.020 1.00 0.71 H new ATOM 0 HH2 TRP A 10 -0.457 -14.083 -3.090 1.00 0.72 H new ATOM 168 N ASN A 11 6.514 -10.556 -0.034 1.00 0.34 N ATOM 169 CA ASN A 11 6.924 -11.537 0.950 1.00 0.43 C ATOM 170 C ASN A 11 5.686 -12.277 1.437 1.00 0.45 C ATOM 171 O ASN A 11 5.046 -11.881 2.416 1.00 0.46 O ATOM 172 CB ASN A 11 7.653 -10.861 2.114 1.00 0.47 C ATOM 173 CG ASN A 11 8.421 -11.852 2.964 1.00 0.63 C ATOM 174 OD1 ASN A 11 7.796 -12.335 4.022 1.00 1.39 O flip ATOM 175 ND2 ASN A 11 9.571 -12.172 2.677 1.00 1.08 N flip ATOM 0 H ASN A 11 6.344 -9.626 0.348 1.00 0.34 H new ATOM 0 HA ASN A 11 7.619 -12.246 0.500 1.00 0.43 H new ATOM 0 HB2 ASN A 11 8.341 -10.111 1.723 1.00 0.47 H new ATOM 0 HB3 ASN A 11 6.929 -10.335 2.737 1.00 0.47 H new ATOM 0 HD21 ASN A 11 10.019 -11.776 1.851 1.00 1.08 H new ATOM 0 HD22 ASN A 11 10.078 -12.833 3.265 1.00 1.08 H new ATOM 182 N GLU A 12 5.349 -13.336 0.718 1.00 0.53 N ATOM 183 CA GLU A 12 4.075 -14.028 0.866 1.00 0.59 C ATOM 184 C GLU A 12 3.876 -14.609 2.262 1.00 0.62 C ATOM 185 O GLU A 12 2.748 -14.689 2.743 1.00 0.65 O ATOM 186 CB GLU A 12 3.977 -15.128 -0.186 1.00 0.76 C ATOM 187 CG GLU A 12 4.168 -14.606 -1.600 1.00 1.09 C ATOM 188 CD GLU A 12 4.202 -15.704 -2.634 1.00 1.43 C ATOM 189 OE1 GLU A 12 3.116 -16.153 -3.060 1.00 1.71 O ATOM 190 OE2 GLU A 12 5.311 -16.120 -3.030 1.00 1.92 O ATOM 0 H GLU A 12 5.957 -13.745 0.008 1.00 0.53 H new ATOM 0 HA GLU A 12 3.281 -13.295 0.721 1.00 0.59 H new ATOM 0 HB2 GLU A 12 4.729 -15.890 0.020 1.00 0.76 H new ATOM 0 HB3 GLU A 12 3.003 -15.612 -0.110 1.00 0.76 H new ATOM 0 HG2 GLU A 12 3.360 -13.915 -1.839 1.00 1.09 H new ATOM 0 HG3 GLU A 12 5.097 -14.039 -1.650 1.00 1.09 H new ATOM 197 N GLY A 13 4.966 -14.978 2.928 1.00 0.65 N ATOM 198 CA GLY A 13 4.854 -15.586 4.241 1.00 0.73 C ATOM 199 C GLY A 13 4.326 -14.617 5.279 1.00 0.70 C ATOM 200 O GLY A 13 3.799 -15.021 6.311 1.00 0.80 O ATOM 0 H GLY A 13 5.920 -14.868 2.584 1.00 0.65 H new ATOM 0 HA2 GLY A 13 4.192 -16.450 4.184 1.00 0.73 H new ATOM 0 HA3 GLY A 13 5.831 -15.953 4.554 1.00 0.73 H new ATOM 204 N LYS A 14 4.470 -13.328 4.999 1.00 0.59 N ATOM 205 CA LYS A 14 4.028 -12.284 5.919 1.00 0.59 C ATOM 206 C LYS A 14 2.882 -11.493 5.310 1.00 0.51 C ATOM 207 O LYS A 14 2.327 -10.598 5.952 1.00 0.55 O ATOM 208 CB LYS A 14 5.181 -11.329 6.258 1.00 0.61 C ATOM 209 CG LYS A 14 6.179 -11.854 7.289 1.00 0.86 C ATOM 210 CD LYS A 14 6.775 -13.194 6.884 1.00 1.21 C ATOM 211 CE LYS A 14 7.964 -13.574 7.744 1.00 1.26 C ATOM 212 NZ LYS A 14 8.449 -14.946 7.443 1.00 1.79 N ATOM 0 H LYS A 14 4.891 -12.978 4.139 1.00 0.59 H new ATOM 0 HA LYS A 14 3.689 -12.768 6.835 1.00 0.59 H new ATOM 0 HB2 LYS A 14 5.720 -11.096 5.340 1.00 0.61 H new ATOM 0 HB3 LYS A 14 4.760 -10.394 6.627 1.00 0.61 H new ATOM 0 HG2 LYS A 14 6.980 -11.127 7.419 1.00 0.86 H new ATOM 0 HG3 LYS A 14 5.682 -11.956 8.254 1.00 0.86 H new ATOM 0 HD2 LYS A 14 6.011 -13.968 6.961 1.00 1.21 H new ATOM 0 HD3 LYS A 14 7.083 -13.152 5.839 1.00 1.21 H new ATOM 0 HE2 LYS A 14 8.772 -12.860 7.583 1.00 1.26 H new ATOM 0 HE3 LYS A 14 7.687 -13.510 8.796 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 9.262 -15.168 8.052 1.00 1.79 H new ATOM 0 HZ2 LYS A 14 7.687 -15.631 7.621 1.00 1.79 H new ATOM 0 HZ3 LYS A 14 8.738 -15.001 6.445 1.00 1.79 H new ATOM 226 N ARG A 15 2.534 -11.841 4.069 1.00 0.45 N ATOM 227 CA ARG A 15 1.520 -11.114 3.306 1.00 0.44 C ATOM 228 C ARG A 15 1.910 -9.652 3.169 1.00 0.37 C ATOM 229 O ARG A 15 1.064 -8.769 3.260 1.00 0.52 O ATOM 230 CB ARG A 15 0.154 -11.208 3.987 1.00 0.56 C ATOM 231 CG ARG A 15 -0.346 -12.623 4.192 1.00 0.66 C ATOM 232 CD ARG A 15 -1.568 -12.636 5.091 1.00 0.87 C ATOM 233 NE ARG A 15 -1.270 -12.071 6.406 1.00 1.83 N ATOM 234 CZ ARG A 15 -2.134 -12.015 7.416 1.00 2.36 C ATOM 235 NH1 ARG A 15 -3.378 -12.447 7.261 1.00 2.32 N ATOM 236 NH2 ARG A 15 -1.747 -11.504 8.577 1.00 3.42 N ATOM 0 H ARG A 15 2.945 -12.629 3.569 1.00 0.45 H new ATOM 0 HA ARG A 15 1.456 -11.569 2.318 1.00 0.44 H new ATOM 0 HB2 ARG A 15 0.209 -10.711 4.956 1.00 0.56 H new ATOM 0 HB3 ARG A 15 -0.575 -10.661 3.389 1.00 0.56 H new ATOM 0 HG2 ARG A 15 -0.592 -13.070 3.229 1.00 0.66 H new ATOM 0 HG3 ARG A 15 0.443 -13.232 4.634 1.00 0.66 H new ATOM 0 HD2 ARG A 15 -2.372 -12.068 4.623 1.00 0.87 H new ATOM 0 HD3 ARG A 15 -1.926 -13.659 5.206 1.00 0.87 H new ATOM 0 HE ARG A 15 -0.335 -11.694 6.560 1.00 1.83 H new ATOM 0 HH11 ARG A 15 -3.678 -12.826 6.363 1.00 2.32 H new ATOM 0 HH12 ARG A 15 -4.035 -12.401 8.040 1.00 2.32 H new ATOM 0 HH21 ARG A 15 -0.794 -11.158 8.690 1.00 3.42 H new ATOM 0 HH22 ARG A 15 -2.402 -11.457 9.357 1.00 3.42 H new ATOM 250 N ARG A 16 3.187 -9.389 2.941 1.00 0.27 N ATOM 251 CA ARG A 16 3.653 -8.017 2.897 1.00 0.24 C ATOM 252 C ARG A 16 4.499 -7.760 1.659 1.00 0.23 C ATOM 253 O ARG A 16 5.034 -8.687 1.059 1.00 0.29 O ATOM 254 CB ARG A 16 4.438 -7.685 4.171 1.00 0.33 C ATOM 255 CG ARG A 16 5.895 -8.117 4.169 1.00 0.55 C ATOM 256 CD ARG A 16 6.577 -7.683 5.457 1.00 0.68 C ATOM 257 NE ARG A 16 8.026 -7.862 5.417 1.00 0.91 N ATOM 258 CZ ARG A 16 8.833 -7.595 6.442 1.00 1.02 C ATOM 259 NH1 ARG A 16 8.331 -7.190 7.610 1.00 1.02 N ATOM 260 NH2 ARG A 16 10.143 -7.741 6.295 1.00 1.86 N ATOM 0 H ARG A 16 3.906 -10.095 2.786 1.00 0.27 H new ATOM 0 HA ARG A 16 2.783 -7.363 2.841 1.00 0.24 H new ATOM 0 HB2 ARG A 16 4.396 -6.608 4.333 1.00 0.33 H new ATOM 0 HB3 ARG A 16 3.938 -8.155 5.018 1.00 0.33 H new ATOM 0 HG2 ARG A 16 5.960 -9.200 4.062 1.00 0.55 H new ATOM 0 HG3 ARG A 16 6.409 -7.681 3.313 1.00 0.55 H new ATOM 0 HD2 ARG A 16 6.350 -6.634 5.648 1.00 0.68 H new ATOM 0 HD3 ARG A 16 6.168 -8.254 6.290 1.00 0.68 H new ATOM 0 HE ARG A 16 8.444 -8.212 4.555 1.00 0.91 H new ATOM 0 HH11 ARG A 16 7.323 -7.083 7.722 1.00 1.02 H new ATOM 0 HH12 ARG A 16 8.955 -6.987 8.391 1.00 1.02 H new ATOM 0 HH21 ARG A 16 10.524 -8.055 5.403 1.00 1.86 H new ATOM 0 HH22 ARG A 16 10.769 -7.539 7.074 1.00 1.86 H new ATOM 274 N PHE A 17 4.603 -6.502 1.281 1.00 0.23 N ATOM 275 CA PHE A 17 5.425 -6.099 0.157 1.00 0.24 C ATOM 276 C PHE A 17 6.648 -5.365 0.672 1.00 0.30 C ATOM 277 O PHE A 17 6.548 -4.595 1.620 1.00 0.55 O ATOM 278 CB PHE A 17 4.659 -5.177 -0.793 1.00 0.28 C ATOM 279 CG PHE A 17 3.413 -5.771 -1.382 1.00 0.29 C ATOM 280 CD1 PHE A 17 3.465 -6.979 -2.056 1.00 0.33 C ATOM 281 CD2 PHE A 17 2.193 -5.134 -1.247 1.00 0.34 C ATOM 282 CE1 PHE A 17 2.320 -7.538 -2.587 1.00 0.39 C ATOM 283 CE2 PHE A 17 1.043 -5.691 -1.774 1.00 0.40 C ATOM 284 CZ PHE A 17 1.107 -6.845 -2.498 1.00 0.41 C ATOM 0 H PHE A 17 4.121 -5.731 1.743 1.00 0.23 H new ATOM 0 HA PHE A 17 5.715 -6.996 -0.391 1.00 0.24 H new ATOM 0 HB2 PHE A 17 4.391 -4.267 -0.256 1.00 0.28 H new ATOM 0 HB3 PHE A 17 5.323 -4.884 -1.606 1.00 0.28 H new ATOM 0 HD1 PHE A 17 4.410 -7.489 -2.167 1.00 0.33 H new ATOM 0 HD2 PHE A 17 2.138 -4.191 -0.724 1.00 0.34 H new ATOM 0 HE1 PHE A 17 2.360 -8.504 -3.068 1.00 0.39 H new ATOM 0 HE2 PHE A 17 0.090 -5.210 -1.612 1.00 0.40 H new ATOM 0 HZ PHE A 17 0.228 -7.222 -2.999 1.00 0.41 H new ATOM 294 N GLU A 18 7.791 -5.600 0.060 1.00 0.22 N ATOM 295 CA GLU A 18 9.014 -4.907 0.441 1.00 0.25 C ATOM 296 C GLU A 18 9.721 -4.385 -0.783 1.00 0.29 C ATOM 297 O GLU A 18 9.864 -5.097 -1.770 1.00 0.39 O ATOM 298 CB GLU A 18 9.958 -5.818 1.232 1.00 0.34 C ATOM 299 CG GLU A 18 9.456 -7.238 1.403 1.00 1.08 C ATOM 300 CD GLU A 18 10.319 -8.046 2.348 1.00 0.96 C ATOM 301 OE1 GLU A 18 11.473 -8.364 1.984 1.00 0.85 O ATOM 302 OE2 GLU A 18 9.860 -8.351 3.467 1.00 1.16 O ATOM 0 H GLU A 18 7.903 -6.266 -0.705 1.00 0.22 H new ATOM 0 HA GLU A 18 8.731 -4.073 1.083 1.00 0.25 H new ATOM 0 HB2 GLU A 18 10.925 -5.845 0.729 1.00 0.34 H new ATOM 0 HB3 GLU A 18 10.124 -5.382 2.217 1.00 0.34 H new ATOM 0 HG2 GLU A 18 8.433 -7.216 1.779 1.00 1.08 H new ATOM 0 HG3 GLU A 18 9.428 -7.730 0.431 1.00 1.08 H new ATOM 309 N THR A 19 10.160 -3.139 -0.722 1.00 0.25 N ATOM 310 CA THR A 19 10.877 -2.538 -1.826 1.00 0.29 C ATOM 311 C THR A 19 12.165 -3.317 -2.108 1.00 0.35 C ATOM 312 O THR A 19 12.531 -4.226 -1.360 1.00 0.37 O ATOM 313 CB THR A 19 11.202 -1.047 -1.536 1.00 0.33 C ATOM 314 OG1 THR A 19 11.746 -0.425 -2.710 1.00 0.46 O ATOM 315 CG2 THR A 19 12.190 -0.911 -0.389 1.00 0.37 C ATOM 0 H THR A 19 10.031 -2.526 0.083 1.00 0.25 H new ATOM 0 HA THR A 19 10.238 -2.579 -2.708 1.00 0.29 H new ATOM 0 HB THR A 19 10.273 -0.552 -1.253 1.00 0.33 H new ATOM 0 HG1 THR A 19 11.946 0.515 -2.519 1.00 0.46 H new ATOM 0 HG21 THR A 19 12.397 0.144 -0.210 1.00 0.37 H new ATOM 0 HG22 THR A 19 11.765 -1.355 0.511 1.00 0.37 H new ATOM 0 HG23 THR A 19 13.117 -1.425 -0.644 1.00 0.37 H new ATOM 323 N GLU A 20 12.858 -2.949 -3.175 1.00 0.43 N ATOM 324 CA GLU A 20 14.107 -3.609 -3.563 1.00 0.53 C ATOM 325 C GLU A 20 15.166 -3.453 -2.483 1.00 0.56 C ATOM 326 O GLU A 20 16.214 -4.099 -2.511 1.00 0.68 O ATOM 327 CB GLU A 20 14.609 -3.020 -4.875 1.00 0.62 C ATOM 328 CG GLU A 20 14.666 -1.503 -4.871 1.00 0.77 C ATOM 329 CD GLU A 20 15.242 -0.945 -6.150 1.00 1.31 C ATOM 330 OE1 GLU A 20 14.461 -0.708 -7.096 1.00 1.90 O ATOM 331 OE2 GLU A 20 16.471 -0.733 -6.218 1.00 1.83 O ATOM 0 H GLU A 20 12.578 -2.190 -3.796 1.00 0.43 H new ATOM 0 HA GLU A 20 13.911 -4.673 -3.692 1.00 0.53 H new ATOM 0 HB2 GLU A 20 15.604 -3.413 -5.084 1.00 0.62 H new ATOM 0 HB3 GLU A 20 13.959 -3.350 -5.685 1.00 0.62 H new ATOM 0 HG2 GLU A 20 13.662 -1.105 -4.724 1.00 0.77 H new ATOM 0 HG3 GLU A 20 15.269 -1.167 -4.027 1.00 0.77 H new ATOM 338 N ASP A 21 14.851 -2.608 -1.525 1.00 0.52 N ATOM 339 CA ASP A 21 15.745 -2.283 -0.435 1.00 0.60 C ATOM 340 C ASP A 21 15.338 -3.054 0.820 1.00 0.54 C ATOM 341 O ASP A 21 16.120 -3.206 1.754 1.00 0.59 O ATOM 342 CB ASP A 21 15.721 -0.761 -0.250 1.00 0.67 C ATOM 343 CG ASP A 21 16.137 -0.291 1.121 1.00 0.97 C ATOM 344 OD1 ASP A 21 17.357 -0.265 1.376 1.00 1.39 O ATOM 345 OD2 ASP A 21 15.260 -0.008 1.961 1.00 1.31 O ATOM 0 H ASP A 21 13.956 -2.121 -1.481 1.00 0.52 H new ATOM 0 HA ASP A 21 16.771 -2.583 -0.650 1.00 0.60 H new ATOM 0 HB2 ASP A 21 16.379 -0.307 -0.991 1.00 0.67 H new ATOM 0 HB3 ASP A 21 14.713 -0.399 -0.454 1.00 0.67 H new ATOM 350 N HIS A 22 14.100 -3.568 0.798 1.00 0.45 N ATOM 351 CA HIS A 22 13.557 -4.456 1.842 1.00 0.45 C ATOM 352 C HIS A 22 13.367 -3.753 3.186 1.00 0.44 C ATOM 353 O HIS A 22 12.642 -4.248 4.049 1.00 0.51 O ATOM 354 CB HIS A 22 14.431 -5.705 2.020 1.00 0.57 C ATOM 355 CG HIS A 22 14.461 -6.599 0.818 1.00 0.64 C ATOM 356 ND1 HIS A 22 13.590 -7.653 0.634 1.00 0.65 N ATOM 357 CD2 HIS A 22 15.277 -6.600 -0.260 1.00 0.74 C ATOM 358 CE1 HIS A 22 13.872 -8.260 -0.503 1.00 0.76 C ATOM 359 NE2 HIS A 22 14.891 -7.640 -1.067 1.00 0.82 N ATOM 0 H HIS A 22 13.437 -3.378 0.046 1.00 0.45 H new ATOM 0 HA HIS A 22 12.569 -4.758 1.493 1.00 0.45 H new ATOM 0 HB2 HIS A 22 15.449 -5.394 2.255 1.00 0.57 H new ATOM 0 HB3 HIS A 22 14.066 -6.274 2.875 1.00 0.57 H new ATOM 0 HD1 HIS A 22 12.845 -7.921 1.277 1.00 0.65 H new ATOM 0 HD2 HIS A 22 16.085 -5.909 -0.451 1.00 0.74 H new ATOM 0 HE1 HIS A 22 13.356 -9.120 -0.904 1.00 0.76 H new ATOM 368 N GLU A 23 14.008 -2.611 3.364 1.00 0.47 N ATOM 369 CA GLU A 23 13.893 -1.853 4.599 1.00 0.52 C ATOM 370 C GLU A 23 12.590 -1.072 4.596 1.00 0.40 C ATOM 371 O GLU A 23 12.031 -0.753 5.647 1.00 0.49 O ATOM 372 CB GLU A 23 15.088 -0.916 4.749 1.00 0.69 C ATOM 373 CG GLU A 23 16.426 -1.632 4.667 1.00 0.84 C ATOM 374 CD GLU A 23 16.645 -2.572 5.834 1.00 1.51 C ATOM 375 OE1 GLU A 23 16.213 -3.743 5.758 1.00 2.28 O ATOM 376 OE2 GLU A 23 17.247 -2.139 6.839 1.00 1.72 O ATOM 0 H GLU A 23 14.617 -2.186 2.665 1.00 0.47 H new ATOM 0 HA GLU A 23 13.888 -2.537 5.448 1.00 0.52 H new ATOM 0 HB2 GLU A 23 15.043 -0.154 3.971 1.00 0.69 H new ATOM 0 HB3 GLU A 23 15.018 -0.399 5.706 1.00 0.69 H new ATOM 0 HG2 GLU A 23 16.478 -2.195 3.735 1.00 0.84 H new ATOM 0 HG3 GLU A 23 17.229 -0.896 4.640 1.00 0.84 H new ATOM 383 N ALA A 24 12.120 -0.765 3.400 1.00 0.29 N ATOM 384 CA ALA A 24 10.809 -0.175 3.223 1.00 0.22 C ATOM 385 C ALA A 24 9.823 -1.254 2.814 1.00 0.17 C ATOM 386 O ALA A 24 10.067 -1.990 1.854 1.00 0.19 O ATOM 387 CB ALA A 24 10.857 0.924 2.180 1.00 0.26 C ATOM 0 H ALA A 24 12.633 -0.917 2.532 1.00 0.29 H new ATOM 0 HA ALA A 24 10.485 0.268 4.165 1.00 0.22 H new ATOM 0 HB1 ALA A 24 9.863 1.356 2.060 1.00 0.26 H new ATOM 0 HB2 ALA A 24 11.553 1.699 2.500 1.00 0.26 H new ATOM 0 HB3 ALA A 24 11.189 0.508 1.229 1.00 0.26 H new ATOM 393 N PHE A 25 8.718 -1.343 3.529 1.00 0.14 N ATOM 394 CA PHE A 25 7.760 -2.406 3.302 1.00 0.15 C ATOM 395 C PHE A 25 6.358 -1.987 3.691 1.00 0.15 C ATOM 396 O PHE A 25 6.160 -0.991 4.393 1.00 0.17 O ATOM 397 CB PHE A 25 8.149 -3.669 4.080 1.00 0.23 C ATOM 398 CG PHE A 25 8.391 -3.448 5.551 1.00 0.30 C ATOM 399 CD1 PHE A 25 7.343 -3.520 6.457 1.00 0.39 C ATOM 400 CD2 PHE A 25 9.663 -3.164 6.025 1.00 0.37 C ATOM 401 CE1 PHE A 25 7.561 -3.315 7.806 1.00 0.49 C ATOM 402 CE2 PHE A 25 9.884 -2.959 7.373 1.00 0.47 C ATOM 403 CZ PHE A 25 8.840 -3.044 8.265 1.00 0.52 C ATOM 0 H PHE A 25 8.462 -0.692 4.271 1.00 0.14 H new ATOM 0 HA PHE A 25 7.773 -2.623 2.234 1.00 0.15 H new ATOM 0 HB2 PHE A 25 7.359 -4.411 3.962 1.00 0.23 H new ATOM 0 HB3 PHE A 25 9.051 -4.091 3.636 1.00 0.23 H new ATOM 0 HD1 PHE A 25 6.346 -3.739 6.104 1.00 0.39 H new ATOM 0 HD2 PHE A 25 10.490 -3.102 5.333 1.00 0.37 H new ATOM 0 HE1 PHE A 25 6.736 -3.366 8.501 1.00 0.49 H new ATOM 0 HE2 PHE A 25 10.878 -2.732 7.728 1.00 0.47 H new ATOM 0 HZ PHE A 25 9.017 -2.900 9.321 1.00 0.52 H new ATOM 413 N ILE A 26 5.396 -2.760 3.222 1.00 0.20 N ATOM 414 CA ILE A 26 4.008 -2.578 3.583 1.00 0.23 C ATOM 415 C ILE A 26 3.395 -3.926 3.920 1.00 0.23 C ATOM 416 O ILE A 26 3.646 -4.920 3.239 1.00 0.26 O ATOM 417 CB ILE A 26 3.206 -1.869 2.455 1.00 0.31 C ATOM 418 CG1 ILE A 26 2.468 -0.674 3.051 1.00 0.41 C ATOM 419 CG2 ILE A 26 2.228 -2.808 1.745 1.00 0.39 C ATOM 420 CD1 ILE A 26 1.484 -0.020 2.109 1.00 0.73 C ATOM 0 H ILE A 26 5.559 -3.534 2.578 1.00 0.20 H new ATOM 0 HA ILE A 26 3.961 -1.930 4.458 1.00 0.23 H new ATOM 0 HB ILE A 26 3.913 -1.536 1.695 1.00 0.31 H new ATOM 0 HG12 ILE A 26 1.936 -0.999 3.945 1.00 0.41 H new ATOM 0 HG13 ILE A 26 3.200 0.069 3.368 1.00 0.41 H new ATOM 0 HG21 ILE A 26 1.696 -2.259 0.968 1.00 0.39 H new ATOM 0 HG22 ILE A 26 2.779 -3.634 1.294 1.00 0.39 H new ATOM 0 HG23 ILE A 26 1.512 -3.201 2.467 1.00 0.39 H new ATOM 0 HD11 ILE A 26 1.003 0.820 2.611 1.00 0.73 H new ATOM 0 HD12 ILE A 26 2.010 0.339 1.225 1.00 0.73 H new ATOM 0 HD13 ILE A 26 0.728 -0.746 1.811 1.00 0.73 H new ATOM 432 N GLU A 27 2.622 -3.963 4.983 1.00 0.22 N ATOM 433 CA GLU A 27 1.990 -5.192 5.427 1.00 0.23 C ATOM 434 C GLU A 27 0.516 -5.166 5.042 1.00 0.22 C ATOM 435 O GLU A 27 -0.031 -4.098 4.776 1.00 0.27 O ATOM 436 CB GLU A 27 2.148 -5.326 6.946 1.00 0.26 C ATOM 437 CG GLU A 27 1.594 -6.614 7.524 1.00 0.65 C ATOM 438 CD GLU A 27 1.575 -6.600 9.034 1.00 1.14 C ATOM 439 OE1 GLU A 27 2.660 -6.539 9.644 1.00 1.23 O ATOM 440 OE2 GLU A 27 0.471 -6.657 9.621 1.00 1.65 O ATOM 0 H GLU A 27 2.413 -3.150 5.562 1.00 0.22 H new ATOM 0 HA GLU A 27 2.464 -6.050 4.949 1.00 0.23 H new ATOM 0 HB2 GLU A 27 3.207 -5.256 7.196 1.00 0.26 H new ATOM 0 HB3 GLU A 27 1.651 -4.483 7.426 1.00 0.26 H new ATOM 0 HG2 GLU A 27 0.582 -6.772 7.151 1.00 0.65 H new ATOM 0 HG3 GLU A 27 2.196 -7.454 7.178 1.00 0.65 H new ATOM 447 N TYR A 28 -0.125 -6.327 4.970 1.00 0.23 N ATOM 448 CA TYR A 28 -1.565 -6.360 4.784 1.00 0.22 C ATOM 449 C TYR A 28 -2.144 -7.707 5.196 1.00 0.28 C ATOM 450 O TYR A 28 -1.439 -8.713 5.244 1.00 0.45 O ATOM 451 CB TYR A 28 -1.957 -6.011 3.334 1.00 0.29 C ATOM 452 CG TYR A 28 -1.593 -7.042 2.283 1.00 0.35 C ATOM 453 CD1 TYR A 28 -2.381 -8.168 2.086 1.00 0.44 C ATOM 454 CD2 TYR A 28 -0.445 -6.903 1.508 1.00 0.40 C ATOM 455 CE1 TYR A 28 -2.036 -9.125 1.151 1.00 0.56 C ATOM 456 CE2 TYR A 28 -0.097 -7.854 0.569 1.00 0.50 C ATOM 457 CZ TYR A 28 -0.954 -8.907 0.319 1.00 0.60 C ATOM 458 OH TYR A 28 -0.545 -9.917 -0.531 1.00 0.70 O ATOM 0 H TYR A 28 0.323 -7.241 5.037 1.00 0.23 H new ATOM 0 HA TYR A 28 -1.994 -5.597 5.434 1.00 0.22 H new ATOM 0 HB2 TYR A 28 -3.034 -5.849 3.298 1.00 0.29 H new ATOM 0 HB3 TYR A 28 -1.484 -5.066 3.068 1.00 0.29 H new ATOM 0 HD1 TYR A 28 -3.278 -8.298 2.673 1.00 0.44 H new ATOM 0 HD2 TYR A 28 0.185 -6.036 1.643 1.00 0.40 H new ATOM 0 HE1 TYR A 28 -2.608 -10.038 1.071 1.00 0.56 H new ATOM 0 HE2 TYR A 28 0.838 -7.775 0.035 1.00 0.50 H new ATOM 0 HH TYR A 28 0.375 -10.174 -0.314 1.00 0.70 H new ATOM 468 N LYS A 29 -3.428 -7.704 5.519 1.00 0.24 N ATOM 469 CA LYS A 29 -4.151 -8.924 5.838 1.00 0.32 C ATOM 470 C LYS A 29 -5.503 -8.897 5.151 1.00 0.25 C ATOM 471 O LYS A 29 -6.099 -7.833 4.988 1.00 0.31 O ATOM 472 CB LYS A 29 -4.335 -9.100 7.354 1.00 0.49 C ATOM 473 CG LYS A 29 -4.980 -7.915 8.058 1.00 0.58 C ATOM 474 CD LYS A 29 -3.944 -6.918 8.563 1.00 0.74 C ATOM 475 CE LYS A 29 -3.095 -7.503 9.684 1.00 1.09 C ATOM 476 NZ LYS A 29 -2.131 -6.512 10.235 1.00 1.52 N ATOM 0 H LYS A 29 -3.996 -6.858 5.567 1.00 0.24 H new ATOM 0 HA LYS A 29 -3.565 -9.771 5.480 1.00 0.32 H new ATOM 0 HB2 LYS A 29 -4.944 -9.986 7.532 1.00 0.49 H new ATOM 0 HB3 LYS A 29 -3.361 -9.287 7.805 1.00 0.49 H new ATOM 0 HG2 LYS A 29 -5.662 -7.413 7.372 1.00 0.58 H new ATOM 0 HG3 LYS A 29 -5.578 -8.273 8.896 1.00 0.58 H new ATOM 0 HD2 LYS A 29 -3.299 -6.615 7.738 1.00 0.74 H new ATOM 0 HD3 LYS A 29 -4.448 -6.020 8.920 1.00 0.74 H new ATOM 0 HE2 LYS A 29 -3.746 -7.857 10.483 1.00 1.09 H new ATOM 0 HE3 LYS A 29 -2.549 -8.369 9.310 1.00 1.09 H new ATOM 0 HZ1 LYS A 29 -1.785 -6.841 11.159 1.00 1.52 H new ATOM 0 HZ2 LYS A 29 -1.328 -6.408 9.582 1.00 1.52 H new ATOM 0 HZ3 LYS A 29 -2.605 -5.593 10.350 1.00 1.52 H new ATOM 490 N MET A 30 -5.985 -10.051 4.731 1.00 0.32 N ATOM 491 CA MET A 30 -7.260 -10.113 4.042 1.00 0.27 C ATOM 492 C MET A 30 -8.389 -10.359 5.039 1.00 0.30 C ATOM 493 O MET A 30 -8.503 -11.436 5.623 1.00 0.39 O ATOM 494 CB MET A 30 -7.239 -11.202 2.968 1.00 0.36 C ATOM 495 CG MET A 30 -6.124 -11.036 1.948 1.00 1.00 C ATOM 496 SD MET A 30 -6.161 -12.302 0.664 1.00 1.12 S ATOM 497 CE MET A 30 -4.709 -11.864 -0.293 1.00 1.85 C ATOM 0 H MET A 30 -5.519 -10.950 4.853 1.00 0.32 H new ATOM 0 HA MET A 30 -7.436 -9.156 3.551 1.00 0.27 H new ATOM 0 HB2 MET A 30 -7.135 -12.174 3.451 1.00 0.36 H new ATOM 0 HB3 MET A 30 -8.197 -11.205 2.448 1.00 0.36 H new ATOM 0 HG2 MET A 30 -6.204 -10.052 1.485 1.00 1.00 H new ATOM 0 HG3 MET A 30 -5.162 -11.070 2.459 1.00 1.00 H new ATOM 0 HE1 MET A 30 -4.599 -12.559 -1.125 1.00 1.85 H new ATOM 0 HE2 MET A 30 -4.820 -10.851 -0.679 1.00 1.85 H new ATOM 0 HE3 MET A 30 -3.825 -11.916 0.343 1.00 1.85 H new ATOM 507 N ARG A 31 -9.210 -9.342 5.218 1.00 0.29 N ATOM 508 CA ARG A 31 -10.322 -9.362 6.154 1.00 0.39 C ATOM 509 C ARG A 31 -11.571 -9.897 5.479 1.00 0.42 C ATOM 510 O ARG A 31 -11.618 -10.005 4.251 1.00 0.38 O ATOM 511 CB ARG A 31 -10.606 -7.943 6.644 1.00 0.46 C ATOM 512 CG ARG A 31 -9.538 -7.365 7.553 1.00 0.67 C ATOM 513 CD ARG A 31 -9.653 -5.850 7.631 1.00 0.66 C ATOM 514 NE ARG A 31 -11.019 -5.405 7.898 1.00 0.98 N ATOM 515 CZ ARG A 31 -11.357 -4.140 8.151 1.00 1.28 C ATOM 516 NH1 ARG A 31 -10.437 -3.188 8.157 1.00 1.41 N ATOM 517 NH2 ARG A 31 -12.623 -3.826 8.384 1.00 2.03 N ATOM 0 H ARG A 31 -9.123 -8.462 4.709 1.00 0.29 H new ATOM 0 HA ARG A 31 -10.056 -10.006 6.992 1.00 0.39 H new ATOM 0 HB2 ARG A 31 -10.721 -7.290 5.779 1.00 0.46 H new ATOM 0 HB3 ARG A 31 -11.558 -7.939 7.175 1.00 0.46 H new ATOM 0 HG2 ARG A 31 -9.634 -7.793 8.551 1.00 0.67 H new ATOM 0 HG3 ARG A 31 -8.551 -7.640 7.182 1.00 0.67 H new ATOM 0 HD2 ARG A 31 -8.994 -5.479 8.416 1.00 0.66 H new ATOM 0 HD3 ARG A 31 -9.309 -5.414 6.693 1.00 0.66 H new ATOM 0 HE ARG A 31 -11.760 -6.106 7.890 1.00 0.98 H new ATOM 0 HH11 ARG A 31 -9.462 -3.420 7.967 1.00 1.41 H new ATOM 0 HH12 ARG A 31 -10.703 -2.223 8.351 1.00 1.41 H new ATOM 0 HH21 ARG A 31 -13.339 -4.552 8.370 1.00 2.03 H new ATOM 0 HH22 ARG A 31 -12.881 -2.858 8.577 1.00 2.03 H new ATOM 531 N ASN A 32 -12.576 -10.218 6.286 1.00 0.55 N ATOM 532 CA ASN A 32 -13.891 -10.616 5.789 1.00 0.64 C ATOM 533 C ASN A 32 -13.778 -11.810 4.847 1.00 0.65 C ATOM 534 O ASN A 32 -14.184 -11.732 3.689 1.00 0.66 O ATOM 535 CB ASN A 32 -14.562 -9.439 5.067 1.00 0.64 C ATOM 536 CG ASN A 32 -16.055 -9.633 4.884 1.00 0.77 C ATOM 537 OD1 ASN A 32 -16.712 -10.296 5.687 1.00 1.15 O ATOM 538 ND2 ASN A 32 -16.604 -9.053 3.831 1.00 0.99 N ATOM 0 H ASN A 32 -12.504 -10.210 7.303 1.00 0.55 H new ATOM 0 HA ASN A 32 -14.504 -10.908 6.642 1.00 0.64 H new ATOM 0 HB2 ASN A 32 -14.386 -8.524 5.633 1.00 0.64 H new ATOM 0 HB3 ASN A 32 -14.096 -9.305 4.091 1.00 0.64 H new ATOM 0 HD21 ASN A 32 -17.605 -9.147 3.661 1.00 0.99 H new ATOM 0 HD22 ASN A 32 -16.026 -8.511 3.188 1.00 0.99 H new ATOM 545 N ASN A 33 -13.180 -12.894 5.342 1.00 0.73 N ATOM 546 CA ASN A 33 -13.032 -14.135 4.572 1.00 0.83 C ATOM 547 C ASN A 33 -12.031 -13.953 3.424 1.00 0.78 C ATOM 548 O ASN A 33 -11.858 -14.831 2.577 1.00 1.04 O ATOM 549 CB ASN A 33 -14.398 -14.597 4.042 1.00 0.95 C ATOM 550 CG ASN A 33 -14.366 -15.981 3.419 1.00 1.62 C ATOM 551 OD1 ASN A 33 -13.586 -16.846 3.823 1.00 1.82 O ATOM 552 ND2 ASN A 33 -15.224 -16.202 2.436 1.00 2.33 N ATOM 0 H ASN A 33 -12.786 -12.940 6.282 1.00 0.73 H new ATOM 0 HA ASN A 33 -12.639 -14.907 5.234 1.00 0.83 H new ATOM 0 HB2 ASN A 33 -15.118 -14.592 4.861 1.00 0.95 H new ATOM 0 HB3 ASN A 33 -14.753 -13.881 3.301 1.00 0.95 H new ATOM 0 HD21 ASN A 33 -15.256 -17.115 1.983 1.00 2.33 H new ATOM 0 HD22 ASN A 33 -15.853 -15.459 2.131 1.00 2.33 H new ATOM 559 N GLY A 34 -11.354 -12.812 3.416 1.00 0.55 N ATOM 560 CA GLY A 34 -10.364 -12.543 2.393 1.00 0.52 C ATOM 561 C GLY A 34 -10.890 -11.633 1.303 1.00 0.48 C ATOM 562 O GLY A 34 -10.319 -11.564 0.215 1.00 0.62 O ATOM 0 H GLY A 34 -11.474 -12.067 4.102 1.00 0.55 H new ATOM 0 HA2 GLY A 34 -9.487 -12.086 2.852 1.00 0.52 H new ATOM 0 HA3 GLY A 34 -10.038 -13.484 1.950 1.00 0.52 H new ATOM 566 N LYS A 35 -11.971 -10.926 1.598 1.00 0.40 N ATOM 567 CA LYS A 35 -12.600 -10.045 0.621 1.00 0.40 C ATOM 568 C LYS A 35 -12.004 -8.652 0.679 1.00 0.28 C ATOM 569 O LYS A 35 -12.075 -7.895 -0.285 1.00 0.28 O ATOM 570 CB LYS A 35 -14.107 -9.960 0.863 1.00 0.52 C ATOM 571 CG LYS A 35 -14.831 -11.273 0.648 1.00 0.67 C ATOM 572 CD LYS A 35 -14.611 -11.788 -0.764 1.00 0.85 C ATOM 573 CE LYS A 35 -15.415 -13.044 -1.044 1.00 1.14 C ATOM 574 NZ LYS A 35 -15.168 -13.548 -2.419 1.00 1.60 N ATOM 0 H LYS A 35 -12.433 -10.944 2.507 1.00 0.40 H new ATOM 0 HA LYS A 35 -12.416 -10.467 -0.367 1.00 0.40 H new ATOM 0 HB2 LYS A 35 -14.284 -9.620 1.883 1.00 0.52 H new ATOM 0 HB3 LYS A 35 -14.531 -9.208 0.198 1.00 0.52 H new ATOM 0 HG2 LYS A 35 -14.476 -12.011 1.368 1.00 0.67 H new ATOM 0 HG3 LYS A 35 -15.898 -11.139 0.828 1.00 0.67 H new ATOM 0 HD2 LYS A 35 -14.888 -11.014 -1.479 1.00 0.85 H new ATOM 0 HD3 LYS A 35 -13.551 -11.995 -0.913 1.00 0.85 H new ATOM 0 HE2 LYS A 35 -15.153 -13.815 -0.319 1.00 1.14 H new ATOM 0 HE3 LYS A 35 -16.477 -12.834 -0.917 1.00 1.14 H new ATOM 0 HZ1 LYS A 35 -15.732 -14.407 -2.580 1.00 1.60 H new ATOM 0 HZ2 LYS A 35 -15.441 -12.820 -3.110 1.00 1.60 H new ATOM 0 HZ3 LYS A 35 -14.158 -13.770 -2.531 1.00 1.60 H new ATOM 588 N VAL A 36 -11.420 -8.315 1.815 1.00 0.25 N ATOM 589 CA VAL A 36 -10.865 -6.989 2.012 1.00 0.19 C ATOM 590 C VAL A 36 -9.383 -7.061 2.364 1.00 0.16 C ATOM 591 O VAL A 36 -9.000 -7.717 3.314 1.00 0.22 O ATOM 592 CB VAL A 36 -11.627 -6.243 3.130 1.00 0.24 C ATOM 593 CG1 VAL A 36 -10.956 -4.918 3.456 1.00 0.31 C ATOM 594 CG2 VAL A 36 -13.079 -6.020 2.727 1.00 0.30 C ATOM 0 H VAL A 36 -11.318 -8.941 2.614 1.00 0.25 H new ATOM 0 HA VAL A 36 -10.975 -6.442 1.076 1.00 0.19 H new ATOM 0 HB VAL A 36 -11.605 -6.863 4.026 1.00 0.24 H new ATOM 0 HG11 VAL A 36 -11.512 -4.413 4.246 1.00 0.31 H new ATOM 0 HG12 VAL A 36 -9.935 -5.100 3.791 1.00 0.31 H new ATOM 0 HG13 VAL A 36 -10.939 -4.290 2.565 1.00 0.31 H new ATOM 0 HG21 VAL A 36 -13.601 -5.493 3.526 1.00 0.30 H new ATOM 0 HG22 VAL A 36 -13.116 -5.425 1.815 1.00 0.30 H new ATOM 0 HG23 VAL A 36 -13.560 -6.982 2.552 1.00 0.30 H new ATOM 604 N MET A 37 -8.556 -6.387 1.593 1.00 0.15 N ATOM 605 CA MET A 37 -7.139 -6.305 1.886 1.00 0.18 C ATOM 606 C MET A 37 -6.855 -5.100 2.761 1.00 0.16 C ATOM 607 O MET A 37 -6.985 -3.961 2.327 1.00 0.17 O ATOM 608 CB MET A 37 -6.316 -6.232 0.597 1.00 0.24 C ATOM 609 CG MET A 37 -6.010 -7.596 0.000 1.00 0.51 C ATOM 610 SD MET A 37 -5.004 -7.503 -1.496 1.00 1.03 S ATOM 611 CE MET A 37 -3.648 -6.473 -0.940 1.00 1.66 C ATOM 0 H MET A 37 -8.842 -5.884 0.753 1.00 0.15 H new ATOM 0 HA MET A 37 -6.848 -7.208 2.423 1.00 0.18 H new ATOM 0 HB2 MET A 37 -6.856 -5.635 -0.137 1.00 0.24 H new ATOM 0 HB3 MET A 37 -5.379 -5.714 0.801 1.00 0.24 H new ATOM 0 HG2 MET A 37 -5.492 -8.203 0.742 1.00 0.51 H new ATOM 0 HG3 MET A 37 -6.947 -8.104 -0.230 1.00 0.51 H new ATOM 0 HE1 MET A 37 -2.725 -6.796 -1.421 1.00 1.66 H new ATOM 0 HE2 MET A 37 -3.849 -5.434 -1.202 1.00 1.66 H new ATOM 0 HE3 MET A 37 -3.544 -6.561 0.141 1.00 1.66 H new ATOM 621 N ASP A 38 -6.489 -5.360 3.998 1.00 0.17 N ATOM 622 CA ASP A 38 -6.190 -4.298 4.938 1.00 0.18 C ATOM 623 C ASP A 38 -4.723 -3.932 4.831 1.00 0.18 C ATOM 624 O ASP A 38 -3.859 -4.687 5.263 1.00 0.20 O ATOM 625 CB ASP A 38 -6.525 -4.756 6.359 1.00 0.24 C ATOM 626 CG ASP A 38 -6.710 -3.608 7.336 1.00 0.32 C ATOM 627 OD1 ASP A 38 -5.692 -3.051 7.791 1.00 0.97 O ATOM 628 OD2 ASP A 38 -7.863 -3.232 7.629 1.00 0.81 O ATOM 0 H ASP A 38 -6.391 -6.301 4.378 1.00 0.17 H new ATOM 0 HA ASP A 38 -6.793 -3.420 4.705 1.00 0.18 H new ATOM 0 HB2 ASP A 38 -7.437 -5.353 6.335 1.00 0.24 H new ATOM 0 HB3 ASP A 38 -5.728 -5.406 6.720 1.00 0.24 H new ATOM 633 N LEU A 39 -4.462 -2.778 4.242 1.00 0.18 N ATOM 634 CA LEU A 39 -3.104 -2.310 4.012 1.00 0.19 C ATOM 635 C LEU A 39 -2.557 -1.697 5.283 1.00 0.20 C ATOM 636 O LEU A 39 -2.893 -0.565 5.640 1.00 0.28 O ATOM 637 CB LEU A 39 -3.066 -1.291 2.862 1.00 0.20 C ATOM 638 CG LEU A 39 -3.105 -1.870 1.445 1.00 0.19 C ATOM 639 CD1 LEU A 39 -4.142 -2.972 1.308 1.00 0.18 C ATOM 640 CD2 LEU A 39 -3.373 -0.761 0.442 1.00 0.22 C ATOM 0 H LEU A 39 -5.184 -2.139 3.910 1.00 0.18 H new ATOM 0 HA LEU A 39 -2.482 -3.159 3.728 1.00 0.19 H new ATOM 0 HB2 LEU A 39 -3.910 -0.612 2.978 1.00 0.20 H new ATOM 0 HB3 LEU A 39 -2.160 -0.694 2.963 1.00 0.20 H new ATOM 0 HG LEU A 39 -2.132 -2.317 1.241 1.00 0.19 H new ATOM 0 HD11 LEU A 39 -4.135 -3.353 0.287 1.00 0.18 H new ATOM 0 HD12 LEU A 39 -3.907 -3.781 1.999 1.00 0.18 H new ATOM 0 HD13 LEU A 39 -5.130 -2.573 1.539 1.00 0.18 H new ATOM 0 HD21 LEU A 39 -3.400 -1.179 -0.564 1.00 0.22 H new ATOM 0 HD22 LEU A 39 -4.331 -0.292 0.666 1.00 0.22 H new ATOM 0 HD23 LEU A 39 -2.581 -0.015 0.504 1.00 0.22 H new ATOM 652 N VAL A 40 -1.704 -2.438 5.956 1.00 0.17 N ATOM 653 CA VAL A 40 -1.237 -2.064 7.273 1.00 0.20 C ATOM 654 C VAL A 40 0.227 -1.661 7.242 1.00 0.18 C ATOM 655 O VAL A 40 1.072 -2.418 6.778 1.00 0.23 O ATOM 656 CB VAL A 40 -1.389 -3.234 8.265 1.00 0.29 C ATOM 657 CG1 VAL A 40 -1.097 -2.785 9.684 1.00 0.84 C ATOM 658 CG2 VAL A 40 -2.769 -3.844 8.171 1.00 0.88 C ATOM 0 H VAL A 40 -1.316 -3.314 5.607 1.00 0.17 H new ATOM 0 HA VAL A 40 -1.846 -1.220 7.596 1.00 0.20 H new ATOM 0 HB VAL A 40 -0.660 -3.998 7.995 1.00 0.29 H new ATOM 0 HG11 VAL A 40 -1.211 -3.629 10.364 1.00 0.84 H new ATOM 0 HG12 VAL A 40 -0.076 -2.407 9.743 1.00 0.84 H new ATOM 0 HG13 VAL A 40 -1.793 -1.995 9.966 1.00 0.84 H new ATOM 0 HG21 VAL A 40 -2.852 -4.667 8.880 1.00 0.88 H new ATOM 0 HG22 VAL A 40 -3.518 -3.087 8.404 1.00 0.88 H new ATOM 0 HG23 VAL A 40 -2.933 -4.218 7.160 1.00 0.88 H new ATOM 668 N HIS A 41 0.509 -0.455 7.707 1.00 0.16 N ATOM 669 CA HIS A 41 1.871 -0.050 8.019 1.00 0.17 C ATOM 670 C HIS A 41 2.709 0.166 6.769 1.00 0.14 C ATOM 671 O HIS A 41 3.361 -0.749 6.271 1.00 0.17 O ATOM 672 CB HIS A 41 2.526 -1.097 8.939 1.00 0.22 C ATOM 673 CG HIS A 41 3.917 -0.783 9.413 1.00 0.42 C ATOM 674 ND1 HIS A 41 4.701 -1.712 10.058 1.00 0.98 N ATOM 675 CD2 HIS A 41 4.656 0.354 9.362 1.00 0.56 C ATOM 676 CE1 HIS A 41 5.853 -1.166 10.385 1.00 1.03 C ATOM 677 NE2 HIS A 41 5.857 0.090 9.977 1.00 0.67 N ATOM 0 H HIS A 41 -0.192 0.266 7.878 1.00 0.16 H new ATOM 0 HA HIS A 41 1.824 0.909 8.535 1.00 0.17 H new ATOM 0 HB2 HIS A 41 1.888 -1.233 9.813 1.00 0.22 H new ATOM 0 HB3 HIS A 41 2.551 -2.050 8.411 1.00 0.22 H new ATOM 0 HD2 HIS A 41 4.356 1.293 8.920 1.00 0.56 H new ATOM 0 HE1 HIS A 41 6.661 -1.663 10.901 1.00 1.03 H new ATOM 0 HE2 HIS A 41 6.623 0.753 10.098 1.00 0.67 H new ATOM 686 N THR A 42 2.674 1.387 6.268 1.00 0.16 N ATOM 687 CA THR A 42 3.598 1.801 5.239 1.00 0.16 C ATOM 688 C THR A 42 4.863 2.309 5.914 1.00 0.20 C ATOM 689 O THR A 42 4.807 3.191 6.778 1.00 0.31 O ATOM 690 CB THR A 42 3.002 2.906 4.331 1.00 0.20 C ATOM 691 OG1 THR A 42 3.957 3.307 3.349 1.00 0.22 O ATOM 692 CG2 THR A 42 2.565 4.117 5.145 1.00 0.31 C ATOM 0 H THR A 42 2.013 2.107 6.560 1.00 0.16 H new ATOM 0 HA THR A 42 3.815 0.947 4.598 1.00 0.16 H new ATOM 0 HB THR A 42 2.124 2.491 3.836 1.00 0.20 H new ATOM 0 HG1 THR A 42 3.580 3.177 2.454 1.00 0.22 H new ATOM 0 HG21 THR A 42 2.152 4.874 4.478 1.00 0.31 H new ATOM 0 HG22 THR A 42 1.806 3.816 5.867 1.00 0.31 H new ATOM 0 HG23 THR A 42 3.424 4.530 5.673 1.00 0.31 H new ATOM 700 N TYR A 43 5.995 1.723 5.591 1.00 0.22 N ATOM 701 CA TYR A 43 7.228 2.182 6.180 1.00 0.29 C ATOM 702 C TYR A 43 8.333 2.240 5.150 1.00 0.27 C ATOM 703 O TYR A 43 8.481 1.343 4.328 1.00 0.37 O ATOM 704 CB TYR A 43 7.642 1.302 7.356 1.00 0.45 C ATOM 705 CG TYR A 43 8.523 2.042 8.331 1.00 0.74 C ATOM 706 CD1 TYR A 43 8.115 3.265 8.844 1.00 1.15 C ATOM 707 CD2 TYR A 43 9.757 1.540 8.725 1.00 0.94 C ATOM 708 CE1 TYR A 43 8.903 3.969 9.724 1.00 1.53 C ATOM 709 CE2 TYR A 43 10.555 2.239 9.613 1.00 1.34 C ATOM 710 CZ TYR A 43 10.125 3.456 10.106 1.00 1.58 C ATOM 711 OH TYR A 43 10.916 4.158 10.989 1.00 2.02 O ATOM 0 H TYR A 43 6.085 0.945 4.938 1.00 0.22 H new ATOM 0 HA TYR A 43 7.055 3.190 6.556 1.00 0.29 H new ATOM 0 HB2 TYR A 43 6.751 0.943 7.872 1.00 0.45 H new ATOM 0 HB3 TYR A 43 8.170 0.424 6.984 1.00 0.45 H new ATOM 0 HD1 TYR A 43 7.160 3.672 8.546 1.00 1.15 H new ATOM 0 HD2 TYR A 43 10.097 0.593 8.333 1.00 0.94 H new ATOM 0 HE1 TYR A 43 8.567 4.918 10.114 1.00 1.53 H new ATOM 0 HE2 TYR A 43 11.509 1.836 9.919 1.00 1.34 H new ATOM 0 HH TYR A 43 11.743 3.659 11.156 1.00 2.02 H new ATOM 721 N VAL A 44 9.096 3.313 5.208 1.00 0.25 N ATOM 722 CA VAL A 44 10.192 3.536 4.289 1.00 0.28 C ATOM 723 C VAL A 44 11.261 4.403 4.963 1.00 0.34 C ATOM 724 O VAL A 44 10.954 5.455 5.522 1.00 0.36 O ATOM 725 CB VAL A 44 9.688 4.198 2.985 1.00 0.33 C ATOM 726 CG1 VAL A 44 8.952 5.497 3.270 1.00 0.71 C ATOM 727 CG2 VAL A 44 10.835 4.432 2.024 1.00 0.60 C ATOM 0 H VAL A 44 8.972 4.056 5.896 1.00 0.25 H new ATOM 0 HA VAL A 44 10.633 2.575 4.024 1.00 0.28 H new ATOM 0 HB VAL A 44 8.981 3.512 2.518 1.00 0.33 H new ATOM 0 HG11 VAL A 44 8.612 5.936 2.332 1.00 0.71 H new ATOM 0 HG12 VAL A 44 8.093 5.296 3.909 1.00 0.71 H new ATOM 0 HG13 VAL A 44 9.623 6.193 3.773 1.00 0.71 H new ATOM 0 HG21 VAL A 44 10.458 4.898 1.114 1.00 0.60 H new ATOM 0 HG22 VAL A 44 11.571 5.087 2.489 1.00 0.60 H new ATOM 0 HG23 VAL A 44 11.302 3.479 1.776 1.00 0.60 H new ATOM 737 N PRO A 45 12.520 3.936 4.974 1.00 0.41 N ATOM 738 CA PRO A 45 13.638 4.664 5.592 1.00 0.48 C ATOM 739 C PRO A 45 13.910 6.027 4.950 1.00 0.51 C ATOM 740 O PRO A 45 13.379 6.346 3.881 1.00 0.50 O ATOM 741 CB PRO A 45 14.833 3.731 5.393 1.00 0.61 C ATOM 742 CG PRO A 45 14.238 2.389 5.151 1.00 0.79 C ATOM 743 CD PRO A 45 12.951 2.644 4.426 1.00 0.48 C ATOM 0 HA PRO A 45 13.424 4.895 6.635 1.00 0.48 H new ATOM 0 HB2 PRO A 45 15.446 4.049 4.549 1.00 0.61 H new ATOM 0 HB3 PRO A 45 15.479 3.724 6.271 1.00 0.61 H new ATOM 0 HG2 PRO A 45 14.906 1.765 4.557 1.00 0.79 H new ATOM 0 HG3 PRO A 45 14.062 1.863 6.089 1.00 0.79 H new ATOM 0 HD2 PRO A 45 13.097 2.691 3.347 1.00 0.48 H new ATOM 0 HD3 PRO A 45 12.218 1.860 4.615 1.00 0.48 H new ATOM 751 N SER A 46 14.786 6.794 5.598 1.00 0.63 N ATOM 752 CA SER A 46 15.032 8.202 5.277 1.00 0.77 C ATOM 753 C SER A 46 15.271 8.460 3.789 1.00 0.80 C ATOM 754 O SER A 46 14.768 9.439 3.241 1.00 0.94 O ATOM 755 CB SER A 46 16.231 8.700 6.084 1.00 0.91 C ATOM 756 OG SER A 46 16.068 8.404 7.463 1.00 1.39 O ATOM 0 H SER A 46 15.354 6.451 6.373 1.00 0.63 H new ATOM 0 HA SER A 46 14.127 8.749 5.542 1.00 0.77 H new ATOM 0 HB2 SER A 46 17.144 8.234 5.713 1.00 0.91 H new ATOM 0 HB3 SER A 46 16.345 9.776 5.949 1.00 0.91 H new ATOM 0 HG SER A 46 16.846 8.729 7.962 1.00 1.39 H new ATOM 762 N PHE A 47 16.016 7.582 3.137 1.00 0.75 N ATOM 763 CA PHE A 47 16.410 7.796 1.747 1.00 0.80 C ATOM 764 C PHE A 47 15.199 7.940 0.826 1.00 0.73 C ATOM 765 O PHE A 47 15.219 8.718 -0.126 1.00 0.82 O ATOM 766 CB PHE A 47 17.262 6.628 1.263 1.00 0.83 C ATOM 767 CG PHE A 47 17.915 6.863 -0.070 1.00 1.39 C ATOM 768 CD1 PHE A 47 18.907 7.821 -0.211 1.00 1.61 C ATOM 769 CD2 PHE A 47 17.538 6.130 -1.183 1.00 2.13 C ATOM 770 CE1 PHE A 47 19.509 8.042 -1.435 1.00 2.39 C ATOM 771 CE2 PHE A 47 18.137 6.346 -2.409 1.00 3.04 C ATOM 772 CZ PHE A 47 19.123 7.304 -2.535 1.00 3.12 C ATOM 0 H PHE A 47 16.362 6.713 3.545 1.00 0.75 H new ATOM 0 HA PHE A 47 16.981 8.724 1.711 1.00 0.80 H new ATOM 0 HB2 PHE A 47 18.035 6.423 2.004 1.00 0.83 H new ATOM 0 HB3 PHE A 47 16.637 5.737 1.199 1.00 0.83 H new ATOM 0 HD1 PHE A 47 19.213 8.402 0.646 1.00 1.61 H new ATOM 0 HD2 PHE A 47 16.766 5.380 -1.091 1.00 2.13 H new ATOM 0 HE1 PHE A 47 20.281 8.791 -1.530 1.00 2.39 H new ATOM 0 HE2 PHE A 47 17.834 5.766 -3.268 1.00 3.04 H new ATOM 0 HZ PHE A 47 19.591 7.475 -3.493 1.00 3.12 H new ATOM 782 N LYS A 48 14.139 7.206 1.128 1.00 0.61 N ATOM 783 CA LYS A 48 13.020 7.078 0.204 1.00 0.60 C ATOM 784 C LYS A 48 11.705 7.480 0.866 1.00 0.64 C ATOM 785 O LYS A 48 10.629 7.266 0.303 1.00 0.78 O ATOM 786 CB LYS A 48 12.946 5.627 -0.288 1.00 0.55 C ATOM 787 CG LYS A 48 14.274 5.106 -0.822 1.00 0.76 C ATOM 788 CD LYS A 48 14.574 3.681 -0.362 1.00 0.81 C ATOM 789 CE LYS A 48 14.439 3.534 1.148 1.00 0.97 C ATOM 790 NZ LYS A 48 15.496 2.665 1.736 1.00 1.19 N ATOM 0 H LYS A 48 14.029 6.691 2.002 1.00 0.61 H new ATOM 0 HA LYS A 48 13.180 7.749 -0.640 1.00 0.60 H new ATOM 0 HB2 LYS A 48 12.616 4.989 0.532 1.00 0.55 H new ATOM 0 HB3 LYS A 48 12.193 5.554 -1.072 1.00 0.55 H new ATOM 0 HG2 LYS A 48 14.260 5.137 -1.911 1.00 0.76 H new ATOM 0 HG3 LYS A 48 15.077 5.766 -0.494 1.00 0.76 H new ATOM 0 HD2 LYS A 48 13.893 2.988 -0.857 1.00 0.81 H new ATOM 0 HD3 LYS A 48 15.584 3.406 -0.665 1.00 0.81 H new ATOM 0 HE2 LYS A 48 14.485 4.520 1.611 1.00 0.97 H new ATOM 0 HE3 LYS A 48 13.459 3.117 1.383 1.00 0.97 H new ATOM 0 HZ1 LYS A 48 15.085 1.746 1.996 1.00 1.19 H new ATOM 0 HZ2 LYS A 48 16.254 2.520 1.039 1.00 1.19 H new ATOM 0 HZ3 LYS A 48 15.888 3.121 2.584 1.00 1.19 H new ATOM 804 N ARG A 49 11.799 8.078 2.052 1.00 0.73 N ATOM 805 CA ARG A 49 10.618 8.421 2.848 1.00 0.84 C ATOM 806 C ARG A 49 9.693 9.385 2.105 1.00 0.91 C ATOM 807 O ARG A 49 8.479 9.182 2.066 1.00 1.75 O ATOM 808 CB ARG A 49 11.031 9.016 4.201 1.00 1.03 C ATOM 809 CG ARG A 49 11.940 10.228 4.086 1.00 1.35 C ATOM 810 CD ARG A 49 12.397 10.729 5.448 1.00 1.45 C ATOM 811 NE ARG A 49 11.290 11.129 6.320 1.00 1.92 N ATOM 812 CZ ARG A 49 11.463 11.622 7.550 1.00 2.48 C ATOM 813 NH1 ARG A 49 12.690 11.815 8.020 1.00 2.70 N ATOM 814 NH2 ARG A 49 10.413 11.931 8.302 1.00 3.23 N ATOM 0 H ARG A 49 12.685 8.337 2.486 1.00 0.73 H new ATOM 0 HA ARG A 49 10.065 7.498 3.022 1.00 0.84 H new ATOM 0 HB2 ARG A 49 10.134 9.297 4.753 1.00 1.03 H new ATOM 0 HB3 ARG A 49 11.537 8.248 4.786 1.00 1.03 H new ATOM 0 HG2 ARG A 49 12.811 9.972 3.483 1.00 1.35 H new ATOM 0 HG3 ARG A 49 11.414 11.027 3.563 1.00 1.35 H new ATOM 0 HD2 ARG A 49 12.974 9.946 5.941 1.00 1.45 H new ATOM 0 HD3 ARG A 49 13.066 11.578 5.309 1.00 1.45 H new ATOM 0 HE ARG A 49 10.337 11.026 5.970 1.00 1.92 H new ATOM 0 HH11 ARG A 49 13.499 11.587 7.442 1.00 2.70 H new ATOM 0 HH12 ARG A 49 12.823 12.191 8.959 1.00 2.70 H new ATOM 0 HH21 ARG A 49 9.469 11.792 7.941 1.00 3.23 H new ATOM 0 HH22 ARG A 49 10.551 12.307 9.240 1.00 3.23 H new ATOM 828 N GLY A 50 10.267 10.420 1.507 1.00 1.00 N ATOM 829 CA GLY A 50 9.473 11.380 0.768 1.00 1.07 C ATOM 830 C GLY A 50 9.623 11.202 -0.725 1.00 0.98 C ATOM 831 O GLY A 50 9.304 12.099 -1.502 1.00 1.12 O ATOM 0 H GLY A 50 11.269 10.612 1.521 1.00 1.00 H new ATOM 0 HA2 GLY A 50 8.424 11.272 1.043 1.00 1.07 H new ATOM 0 HA3 GLY A 50 9.773 12.390 1.046 1.00 1.07 H new ATOM 835 N LEU A 51 10.103 10.033 -1.126 1.00 0.81 N ATOM 836 CA LEU A 51 10.360 9.751 -2.530 1.00 0.81 C ATOM 837 C LEU A 51 9.105 9.223 -3.213 1.00 0.71 C ATOM 838 O LEU A 51 9.037 9.150 -4.439 1.00 0.88 O ATOM 839 CB LEU A 51 11.478 8.718 -2.663 1.00 0.82 C ATOM 840 CG LEU A 51 12.064 8.557 -4.067 1.00 1.11 C ATOM 841 CD1 LEU A 51 12.719 9.851 -4.527 1.00 1.46 C ATOM 842 CD2 LEU A 51 13.069 7.418 -4.090 1.00 1.95 C ATOM 0 H LEU A 51 10.323 9.262 -0.495 1.00 0.81 H new ATOM 0 HA LEU A 51 10.662 10.681 -3.012 1.00 0.81 H new ATOM 0 HB2 LEU A 51 12.284 8.991 -1.981 1.00 0.82 H new ATOM 0 HB3 LEU A 51 11.096 7.751 -2.335 1.00 0.82 H new ATOM 0 HG LEU A 51 11.252 8.321 -4.755 1.00 1.11 H new ATOM 0 HD11 LEU A 51 13.129 9.715 -5.528 1.00 1.46 H new ATOM 0 HD12 LEU A 51 11.976 10.649 -4.545 1.00 1.46 H new ATOM 0 HD13 LEU A 51 13.521 10.117 -3.839 1.00 1.46 H new ATOM 0 HD21 LEU A 51 13.478 7.314 -5.095 1.00 1.95 H new ATOM 0 HD22 LEU A 51 13.876 7.631 -3.389 1.00 1.95 H new ATOM 0 HD23 LEU A 51 12.574 6.490 -3.802 1.00 1.95 H new ATOM 854 N GLY A 52 8.109 8.846 -2.419 1.00 0.52 N ATOM 855 CA GLY A 52 6.917 8.260 -2.996 1.00 0.43 C ATOM 856 C GLY A 52 6.766 6.799 -2.638 1.00 0.32 C ATOM 857 O GLY A 52 5.660 6.265 -2.636 1.00 0.28 O ATOM 0 H GLY A 52 8.105 8.934 -1.403 1.00 0.52 H new ATOM 0 HA2 GLY A 52 6.041 8.809 -2.651 1.00 0.43 H new ATOM 0 HA3 GLY A 52 6.952 8.365 -4.080 1.00 0.43 H new ATOM 861 N LEU A 53 7.894 6.161 -2.344 1.00 0.31 N ATOM 862 CA LEU A 53 7.967 4.713 -2.137 1.00 0.27 C ATOM 863 C LEU A 53 6.936 4.222 -1.113 1.00 0.20 C ATOM 864 O LEU A 53 6.325 3.176 -1.304 1.00 0.20 O ATOM 865 CB LEU A 53 9.387 4.342 -1.690 1.00 0.29 C ATOM 866 CG LEU A 53 9.747 2.850 -1.743 1.00 0.33 C ATOM 867 CD1 LEU A 53 9.225 2.113 -0.523 1.00 0.55 C ATOM 868 CD2 LEU A 53 9.198 2.217 -3.011 1.00 0.67 C ATOM 0 H LEU A 53 8.792 6.635 -2.241 1.00 0.31 H new ATOM 0 HA LEU A 53 7.732 4.220 -3.081 1.00 0.27 H new ATOM 0 HB2 LEU A 53 10.096 4.888 -2.313 1.00 0.29 H new ATOM 0 HB3 LEU A 53 9.526 4.692 -0.667 1.00 0.29 H new ATOM 0 HG LEU A 53 10.834 2.770 -1.748 1.00 0.33 H new ATOM 0 HD11 LEU A 53 9.496 1.059 -0.591 1.00 0.55 H new ATOM 0 HD12 LEU A 53 9.663 2.543 0.377 1.00 0.55 H new ATOM 0 HD13 LEU A 53 8.140 2.206 -0.478 1.00 0.55 H new ATOM 0 HD21 LEU A 53 9.462 1.160 -3.033 1.00 0.67 H new ATOM 0 HD22 LEU A 53 8.113 2.321 -3.029 1.00 0.67 H new ATOM 0 HD23 LEU A 53 9.625 2.716 -3.881 1.00 0.67 H new ATOM 880 N ALA A 54 6.754 4.969 -0.039 1.00 0.19 N ATOM 881 CA ALA A 54 5.760 4.627 0.975 1.00 0.17 C ATOM 882 C ALA A 54 4.371 4.432 0.363 1.00 0.15 C ATOM 883 O ALA A 54 3.725 3.401 0.562 1.00 0.15 O ATOM 884 CB ALA A 54 5.711 5.716 2.019 1.00 0.24 C ATOM 0 H ALA A 54 7.281 5.820 0.158 1.00 0.19 H new ATOM 0 HA ALA A 54 6.056 3.683 1.434 1.00 0.17 H new ATOM 0 HB1 ALA A 54 4.969 5.461 2.776 1.00 0.24 H new ATOM 0 HB2 ALA A 54 6.690 5.814 2.489 1.00 0.24 H new ATOM 0 HB3 ALA A 54 5.439 6.660 1.547 1.00 0.24 H new ATOM 890 N SER A 55 3.916 5.433 -0.372 1.00 0.17 N ATOM 891 CA SER A 55 2.627 5.368 -1.045 1.00 0.21 C ATOM 892 C SER A 55 2.671 4.354 -2.185 1.00 0.21 C ATOM 893 O SER A 55 1.674 3.712 -2.510 1.00 0.25 O ATOM 894 CB SER A 55 2.245 6.753 -1.567 1.00 0.28 C ATOM 895 OG SER A 55 2.137 7.687 -0.502 1.00 1.08 O ATOM 0 H SER A 55 4.423 6.306 -0.519 1.00 0.17 H new ATOM 0 HA SER A 55 1.870 5.042 -0.332 1.00 0.21 H new ATOM 0 HB2 SER A 55 2.994 7.096 -2.281 1.00 0.28 H new ATOM 0 HB3 SER A 55 1.297 6.695 -2.102 1.00 0.28 H new ATOM 0 HG SER A 55 1.893 8.566 -0.861 1.00 1.08 H new ATOM 901 N HIS A 56 3.851 4.218 -2.772 1.00 0.21 N ATOM 902 CA HIS A 56 4.117 3.224 -3.804 1.00 0.23 C ATOM 903 C HIS A 56 3.767 1.831 -3.297 1.00 0.20 C ATOM 904 O HIS A 56 3.201 1.012 -4.018 1.00 0.23 O ATOM 905 CB HIS A 56 5.599 3.281 -4.157 1.00 0.29 C ATOM 906 CG HIS A 56 5.896 3.348 -5.616 1.00 0.45 C ATOM 907 ND1 HIS A 56 5.811 2.277 -6.475 1.00 0.79 N ATOM 908 CD2 HIS A 56 6.297 4.394 -6.361 1.00 0.70 C ATOM 909 CE1 HIS A 56 6.153 2.666 -7.689 1.00 0.99 C ATOM 910 NE2 HIS A 56 6.453 3.951 -7.649 1.00 0.93 N ATOM 0 H HIS A 56 4.658 4.799 -2.544 1.00 0.21 H new ATOM 0 HA HIS A 56 3.509 3.436 -4.683 1.00 0.23 H new ATOM 0 HB2 HIS A 56 6.040 4.152 -3.671 1.00 0.29 H new ATOM 0 HB3 HIS A 56 6.090 2.401 -3.741 1.00 0.29 H new ATOM 0 HD2 HIS A 56 6.466 5.401 -6.008 1.00 0.70 H new ATOM 0 HE1 HIS A 56 6.182 2.038 -8.567 1.00 0.99 H new ATOM 0 HE2 HIS A 56 6.751 4.519 -8.443 1.00 0.93 H new ATOM 919 N LEU A 57 4.119 1.587 -2.040 1.00 0.15 N ATOM 920 CA LEU A 57 3.821 0.322 -1.374 1.00 0.13 C ATOM 921 C LEU A 57 2.314 0.099 -1.298 1.00 0.13 C ATOM 922 O LEU A 57 1.819 -0.989 -1.589 1.00 0.15 O ATOM 923 CB LEU A 57 4.417 0.312 0.036 1.00 0.14 C ATOM 924 CG LEU A 57 5.938 0.447 0.110 1.00 0.17 C ATOM 925 CD1 LEU A 57 6.374 0.748 1.534 1.00 0.19 C ATOM 926 CD2 LEU A 57 6.606 -0.824 -0.391 1.00 0.22 C ATOM 0 H LEU A 57 4.617 2.257 -1.454 1.00 0.15 H new ATOM 0 HA LEU A 57 4.267 -0.485 -1.956 1.00 0.13 H new ATOM 0 HB2 LEU A 57 3.970 1.126 0.606 1.00 0.14 H new ATOM 0 HB3 LEU A 57 4.128 -0.617 0.527 1.00 0.14 H new ATOM 0 HG LEU A 57 6.245 1.276 -0.528 1.00 0.17 H new ATOM 0 HD11 LEU A 57 7.459 0.841 1.570 1.00 0.19 H new ATOM 0 HD12 LEU A 57 5.918 1.681 1.864 1.00 0.19 H new ATOM 0 HD13 LEU A 57 6.057 -0.062 2.190 1.00 0.19 H new ATOM 0 HD21 LEU A 57 7.689 -0.713 -0.333 1.00 0.22 H new ATOM 0 HD22 LEU A 57 6.294 -1.667 0.226 1.00 0.22 H new ATOM 0 HD23 LEU A 57 6.315 -1.004 -1.426 1.00 0.22 H new ATOM 938 N CYS A 58 1.592 1.142 -0.906 1.00 0.16 N ATOM 939 CA CYS A 58 0.134 1.086 -0.837 1.00 0.19 C ATOM 940 C CYS A 58 -0.455 0.795 -2.216 1.00 0.19 C ATOM 941 O CYS A 58 -1.398 0.012 -2.354 1.00 0.20 O ATOM 942 CB CYS A 58 -0.421 2.404 -0.292 1.00 0.23 C ATOM 943 SG CYS A 58 -2.217 2.442 -0.104 1.00 0.27 S ATOM 0 H CYS A 58 1.992 2.039 -0.630 1.00 0.16 H new ATOM 0 HA CYS A 58 -0.150 0.279 -0.161 1.00 0.19 H new ATOM 0 HB2 CYS A 58 0.037 2.603 0.677 1.00 0.23 H new ATOM 0 HB3 CYS A 58 -0.121 3.213 -0.959 1.00 0.23 H new ATOM 0 HG CYS A 58 -2.775 2.514 -1.276 1.00 0.27 H new ATOM 949 N VAL A 59 0.119 1.426 -3.235 1.00 0.19 N ATOM 950 CA VAL A 59 -0.296 1.210 -4.615 1.00 0.22 C ATOM 951 C VAL A 59 -0.093 -0.247 -5.025 1.00 0.20 C ATOM 952 O VAL A 59 -0.923 -0.825 -5.727 1.00 0.22 O ATOM 953 CB VAL A 59 0.483 2.134 -5.576 1.00 0.25 C ATOM 954 CG1 VAL A 59 0.196 1.794 -7.030 1.00 0.29 C ATOM 955 CG2 VAL A 59 0.141 3.585 -5.299 1.00 0.29 C ATOM 0 H VAL A 59 0.880 2.097 -3.128 1.00 0.19 H new ATOM 0 HA VAL A 59 -1.358 1.449 -4.680 1.00 0.22 H new ATOM 0 HB VAL A 59 1.547 1.978 -5.401 1.00 0.25 H new ATOM 0 HG11 VAL A 59 0.761 2.464 -7.679 1.00 0.29 H new ATOM 0 HG12 VAL A 59 0.491 0.763 -7.228 1.00 0.29 H new ATOM 0 HG13 VAL A 59 -0.870 1.911 -7.227 1.00 0.29 H new ATOM 0 HG21 VAL A 59 0.697 4.227 -5.983 1.00 0.29 H new ATOM 0 HG22 VAL A 59 -0.928 3.741 -5.443 1.00 0.29 H new ATOM 0 HG23 VAL A 59 0.408 3.832 -4.272 1.00 0.29 H new ATOM 965 N ALA A 60 0.998 -0.842 -4.558 1.00 0.18 N ATOM 966 CA ALA A 60 1.301 -2.237 -4.860 1.00 0.21 C ATOM 967 C ALA A 60 0.203 -3.159 -4.346 1.00 0.17 C ATOM 968 O ALA A 60 -0.116 -4.167 -4.978 1.00 0.17 O ATOM 969 CB ALA A 60 2.648 -2.631 -4.271 1.00 0.28 C ATOM 0 H ALA A 60 1.689 -0.380 -3.967 1.00 0.18 H new ATOM 0 HA ALA A 60 1.352 -2.344 -5.944 1.00 0.21 H new ATOM 0 HB1 ALA A 60 2.857 -3.675 -4.506 1.00 0.28 H new ATOM 0 HB2 ALA A 60 3.429 -2.000 -4.695 1.00 0.28 H new ATOM 0 HB3 ALA A 60 2.624 -2.501 -3.189 1.00 0.28 H new ATOM 975 N ALA A 61 -0.390 -2.810 -3.207 1.00 0.16 N ATOM 976 CA ALA A 61 -1.478 -3.596 -2.667 1.00 0.16 C ATOM 977 C ALA A 61 -2.748 -3.378 -3.484 1.00 0.14 C ATOM 978 O ALA A 61 -3.533 -4.306 -3.681 1.00 0.15 O ATOM 979 CB ALA A 61 -1.700 -3.262 -1.208 1.00 0.20 C ATOM 0 H ALA A 61 -0.133 -1.995 -2.650 1.00 0.16 H new ATOM 0 HA ALA A 61 -1.214 -4.652 -2.732 1.00 0.16 H new ATOM 0 HB1 ALA A 61 -2.522 -3.862 -0.818 1.00 0.20 H new ATOM 0 HB2 ALA A 61 -0.793 -3.478 -0.643 1.00 0.20 H new ATOM 0 HB3 ALA A 61 -1.945 -2.204 -1.110 1.00 0.20 H new ATOM 985 N PHE A 62 -2.931 -2.150 -3.975 1.00 0.14 N ATOM 986 CA PHE A 62 -4.051 -1.840 -4.861 1.00 0.15 C ATOM 987 C PHE A 62 -3.973 -2.684 -6.121 1.00 0.15 C ATOM 988 O PHE A 62 -4.945 -3.329 -6.511 1.00 0.16 O ATOM 989 CB PHE A 62 -4.062 -0.363 -5.265 1.00 0.17 C ATOM 990 CG PHE A 62 -4.495 0.588 -4.185 1.00 0.19 C ATOM 991 CD1 PHE A 62 -5.647 0.352 -3.456 1.00 0.21 C ATOM 992 CD2 PHE A 62 -3.764 1.737 -3.920 1.00 0.20 C ATOM 993 CE1 PHE A 62 -6.063 1.238 -2.481 1.00 0.23 C ATOM 994 CE2 PHE A 62 -4.174 2.628 -2.945 1.00 0.23 C ATOM 995 CZ PHE A 62 -5.326 2.377 -2.226 1.00 0.24 C ATOM 0 H PHE A 62 -2.320 -1.358 -3.774 1.00 0.14 H new ATOM 0 HA PHE A 62 -4.966 -2.062 -4.311 1.00 0.15 H new ATOM 0 HB2 PHE A 62 -3.061 -0.084 -5.594 1.00 0.17 H new ATOM 0 HB3 PHE A 62 -4.724 -0.241 -6.122 1.00 0.17 H new ATOM 0 HD1 PHE A 62 -6.229 -0.537 -3.652 1.00 0.21 H new ATOM 0 HD2 PHE A 62 -2.864 1.938 -4.482 1.00 0.20 H new ATOM 0 HE1 PHE A 62 -6.964 1.040 -1.919 1.00 0.23 H new ATOM 0 HE2 PHE A 62 -3.595 3.518 -2.746 1.00 0.23 H new ATOM 0 HZ PHE A 62 -5.650 3.071 -1.465 1.00 0.24 H new ATOM 1005 N GLU A 63 -2.800 -2.671 -6.744 1.00 0.16 N ATOM 1006 CA GLU A 63 -2.544 -3.438 -7.957 1.00 0.19 C ATOM 1007 C GLU A 63 -2.903 -4.904 -7.762 1.00 0.19 C ATOM 1008 O GLU A 63 -3.448 -5.546 -8.657 1.00 0.24 O ATOM 1009 CB GLU A 63 -1.068 -3.327 -8.335 1.00 0.22 C ATOM 1010 CG GLU A 63 -0.625 -1.917 -8.672 1.00 0.29 C ATOM 1011 CD GLU A 63 -1.028 -1.500 -10.066 1.00 1.16 C ATOM 1012 OE1 GLU A 63 -2.230 -1.298 -10.317 1.00 1.98 O ATOM 1013 OE2 GLU A 63 -0.132 -1.391 -10.932 1.00 1.58 O ATOM 0 H GLU A 63 -1.999 -2.128 -6.422 1.00 0.16 H new ATOM 0 HA GLU A 63 -3.165 -3.030 -8.755 1.00 0.19 H new ATOM 0 HB2 GLU A 63 -0.462 -3.700 -7.509 1.00 0.22 H new ATOM 0 HB3 GLU A 63 -0.873 -3.973 -9.191 1.00 0.22 H new ATOM 0 HG2 GLU A 63 -1.055 -1.223 -7.950 1.00 0.29 H new ATOM 0 HG3 GLU A 63 0.458 -1.847 -8.575 1.00 0.29 H new ATOM 1020 N HIS A 64 -2.611 -5.414 -6.576 1.00 0.17 N ATOM 1021 CA HIS A 64 -2.835 -6.818 -6.271 1.00 0.19 C ATOM 1022 C HIS A 64 -4.322 -7.102 -6.100 1.00 0.19 C ATOM 1023 O HIS A 64 -4.869 -8.007 -6.729 1.00 0.24 O ATOM 1024 CB HIS A 64 -2.083 -7.203 -4.998 1.00 0.20 C ATOM 1025 CG HIS A 64 -2.137 -8.669 -4.684 1.00 0.58 C ATOM 1026 ND1 HIS A 64 -2.851 -9.188 -3.623 1.00 1.50 N ATOM 1027 CD2 HIS A 64 -1.554 -9.729 -5.293 1.00 1.13 C ATOM 1028 CE1 HIS A 64 -2.701 -10.500 -3.595 1.00 1.68 C ATOM 1029 NE2 HIS A 64 -1.921 -10.855 -4.598 1.00 1.33 N ATOM 0 H HIS A 64 -2.217 -4.874 -5.806 1.00 0.17 H new ATOM 0 HA HIS A 64 -2.462 -7.414 -7.103 1.00 0.19 H new ATOM 0 HB2 HIS A 64 -1.041 -6.900 -5.097 1.00 0.20 H new ATOM 0 HB3 HIS A 64 -2.499 -6.645 -4.159 1.00 0.20 H new ATOM 0 HD1 HIS A 64 -3.407 -8.644 -2.964 1.00 1.50 H new ATOM 0 HD2 HIS A 64 -0.918 -9.695 -6.165 1.00 1.13 H new ATOM 0 HE1 HIS A 64 -3.143 -11.170 -2.872 1.00 1.68 H new ATOM 1038 N ALA A 65 -4.972 -6.319 -5.252 1.00 0.15 N ATOM 1039 CA ALA A 65 -6.376 -6.532 -4.946 1.00 0.16 C ATOM 1040 C ALA A 65 -7.254 -6.263 -6.158 1.00 0.15 C ATOM 1041 O ALA A 65 -8.085 -7.088 -6.516 1.00 0.17 O ATOM 1042 CB ALA A 65 -6.805 -5.656 -3.789 1.00 0.20 C ATOM 0 H ALA A 65 -4.548 -5.530 -4.764 1.00 0.15 H new ATOM 0 HA ALA A 65 -6.498 -7.578 -4.664 1.00 0.16 H new ATOM 0 HB1 ALA A 65 -7.859 -5.829 -3.573 1.00 0.20 H new ATOM 0 HB2 ALA A 65 -6.210 -5.899 -2.909 1.00 0.20 H new ATOM 0 HB3 ALA A 65 -6.655 -4.609 -4.050 1.00 0.20 H new ATOM 1048 N SER A 66 -7.060 -5.108 -6.783 1.00 0.16 N ATOM 1049 CA SER A 66 -7.827 -4.741 -7.974 1.00 0.20 C ATOM 1050 C SER A 66 -7.774 -5.841 -9.045 1.00 0.24 C ATOM 1051 O SER A 66 -8.797 -6.175 -9.648 1.00 0.31 O ATOM 1052 CB SER A 66 -7.306 -3.421 -8.554 1.00 0.24 C ATOM 1053 OG SER A 66 -8.050 -3.025 -9.694 1.00 1.21 O ATOM 0 H SER A 66 -6.380 -4.408 -6.488 1.00 0.16 H new ATOM 0 HA SER A 66 -8.867 -4.619 -7.671 1.00 0.20 H new ATOM 0 HB2 SER A 66 -7.361 -2.642 -7.794 1.00 0.24 H new ATOM 0 HB3 SER A 66 -6.256 -3.530 -8.824 1.00 0.24 H new ATOM 0 HG SER A 66 -7.694 -2.180 -10.039 1.00 1.21 H new ATOM 1059 N SER A 67 -6.593 -6.416 -9.264 1.00 0.25 N ATOM 1060 CA SER A 67 -6.421 -7.450 -10.284 1.00 0.33 C ATOM 1061 C SER A 67 -7.169 -8.735 -9.919 1.00 0.34 C ATOM 1062 O SER A 67 -7.693 -9.428 -10.789 1.00 0.44 O ATOM 1063 CB SER A 67 -4.935 -7.749 -10.495 1.00 0.39 C ATOM 1064 OG SER A 67 -4.247 -6.602 -10.972 1.00 1.20 O ATOM 0 H SER A 67 -5.743 -6.185 -8.751 1.00 0.25 H new ATOM 0 HA SER A 67 -6.846 -7.069 -11.213 1.00 0.33 H new ATOM 0 HB2 SER A 67 -4.490 -8.080 -9.556 1.00 0.39 H new ATOM 0 HB3 SER A 67 -4.823 -8.567 -11.207 1.00 0.39 H new ATOM 0 HG SER A 67 -4.097 -5.979 -10.231 1.00 1.20 H new ATOM 1070 N HIS A 68 -7.240 -9.035 -8.630 1.00 0.29 N ATOM 1071 CA HIS A 68 -7.874 -10.266 -8.169 1.00 0.35 C ATOM 1072 C HIS A 68 -9.336 -10.013 -7.801 1.00 0.37 C ATOM 1073 O HIS A 68 -10.045 -10.926 -7.382 1.00 0.44 O ATOM 1074 CB HIS A 68 -7.105 -10.821 -6.961 1.00 0.37 C ATOM 1075 CG HIS A 68 -7.492 -12.219 -6.569 1.00 0.48 C ATOM 1076 ND1 HIS A 68 -8.351 -12.668 -5.624 1.00 1.25 N flip ATOM 1077 CD2 HIS A 68 -6.970 -13.341 -7.167 1.00 1.16 C flip ATOM 1078 CE1 HIS A 68 -8.330 -14.037 -5.665 1.00 1.03 C flip ATOM 1079 NE2 HIS A 68 -7.489 -14.417 -6.610 1.00 0.82 N flip ATOM 0 H HIS A 68 -6.868 -8.446 -7.885 1.00 0.29 H new ATOM 0 HA HIS A 68 -7.850 -11.000 -8.975 1.00 0.35 H new ATOM 0 HB2 HIS A 68 -6.038 -10.801 -7.184 1.00 0.37 H new ATOM 0 HB3 HIS A 68 -7.265 -10.160 -6.109 1.00 0.37 H new ATOM 0 HD2 HIS A 68 -6.247 -13.341 -7.969 1.00 1.16 H new ATOM 0 HE1 HIS A 68 -8.905 -14.696 -5.031 1.00 1.03 H new ATOM 0 HE2 HIS A 68 -7.277 -15.381 -6.866 1.00 0.82 H new ATOM 1088 N SER A 69 -9.775 -8.770 -7.972 1.00 0.33 N ATOM 1089 CA SER A 69 -11.116 -8.349 -7.572 1.00 0.37 C ATOM 1090 C SER A 69 -11.262 -8.467 -6.053 1.00 0.34 C ATOM 1091 O SER A 69 -11.900 -9.389 -5.537 1.00 0.54 O ATOM 1092 CB SER A 69 -12.201 -9.160 -8.296 1.00 0.47 C ATOM 1093 OG SER A 69 -13.493 -8.618 -8.064 1.00 1.12 O ATOM 0 H SER A 69 -9.214 -8.027 -8.390 1.00 0.33 H new ATOM 0 HA SER A 69 -11.251 -7.307 -7.861 1.00 0.37 H new ATOM 0 HB2 SER A 69 -11.996 -9.171 -9.366 1.00 0.47 H new ATOM 0 HB3 SER A 69 -12.172 -10.195 -7.955 1.00 0.47 H new ATOM 0 HG SER A 69 -14.163 -9.154 -8.538 1.00 1.12 H new ATOM 1099 N ILE A 70 -10.619 -7.548 -5.347 1.00 0.22 N ATOM 1100 CA ILE A 70 -10.629 -7.534 -3.892 1.00 0.21 C ATOM 1101 C ILE A 70 -10.872 -6.110 -3.400 1.00 0.19 C ATOM 1102 O ILE A 70 -10.495 -5.148 -4.070 1.00 0.20 O ATOM 1103 CB ILE A 70 -9.281 -8.052 -3.316 1.00 0.23 C ATOM 1104 CG1 ILE A 70 -8.934 -9.427 -3.889 1.00 0.30 C ATOM 1105 CG2 ILE A 70 -9.325 -8.130 -1.797 1.00 0.27 C ATOM 1106 CD1 ILE A 70 -7.611 -9.977 -3.396 1.00 0.36 C ATOM 0 H ILE A 70 -10.077 -6.793 -5.766 1.00 0.22 H new ATOM 0 HA ILE A 70 -11.427 -8.193 -3.549 1.00 0.21 H new ATOM 0 HB ILE A 70 -8.509 -7.340 -3.608 1.00 0.23 H new ATOM 0 HG12 ILE A 70 -9.727 -10.129 -3.632 1.00 0.30 H new ATOM 0 HG13 ILE A 70 -8.907 -9.361 -4.977 1.00 0.30 H new ATOM 0 HG21 ILE A 70 -8.368 -8.495 -1.424 1.00 0.27 H new ATOM 0 HG22 ILE A 70 -9.520 -7.139 -1.387 1.00 0.27 H new ATOM 0 HG23 ILE A 70 -10.118 -8.812 -1.491 1.00 0.27 H new ATOM 0 HD11 ILE A 70 -7.433 -10.954 -3.845 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -6.807 -9.297 -3.677 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -7.640 -10.076 -2.311 1.00 0.36 H new ATOM 1118 N SER A 71 -11.493 -5.976 -2.240 1.00 0.19 N ATOM 1119 CA SER A 71 -11.673 -4.676 -1.622 1.00 0.19 C ATOM 1120 C SER A 71 -10.485 -4.403 -0.707 1.00 0.17 C ATOM 1121 O SER A 71 -9.713 -5.308 -0.423 1.00 0.19 O ATOM 1122 CB SER A 71 -12.983 -4.643 -0.832 1.00 0.23 C ATOM 1123 OG SER A 71 -14.086 -4.963 -1.666 1.00 1.01 O ATOM 0 H SER A 71 -11.881 -6.754 -1.707 1.00 0.19 H new ATOM 0 HA SER A 71 -11.726 -3.903 -2.389 1.00 0.19 H new ATOM 0 HB2 SER A 71 -12.931 -5.350 -0.004 1.00 0.23 H new ATOM 0 HB3 SER A 71 -13.125 -3.653 -0.398 1.00 0.23 H new ATOM 0 HG SER A 71 -14.912 -4.937 -1.140 1.00 1.01 H new ATOM 1129 N ILE A 72 -10.318 -3.168 -0.267 1.00 0.15 N ATOM 1130 CA ILE A 72 -9.139 -2.790 0.502 1.00 0.14 C ATOM 1131 C ILE A 72 -9.503 -1.811 1.629 1.00 0.14 C ATOM 1132 O ILE A 72 -10.498 -1.096 1.548 1.00 0.16 O ATOM 1133 CB ILE A 72 -8.060 -2.163 -0.436 1.00 0.14 C ATOM 1134 CG1 ILE A 72 -7.476 -3.221 -1.386 1.00 0.16 C ATOM 1135 CG2 ILE A 72 -6.943 -1.493 0.348 1.00 0.14 C ATOM 1136 CD1 ILE A 72 -6.226 -2.761 -2.110 1.00 0.20 C ATOM 0 H ILE A 72 -10.981 -2.409 -0.427 1.00 0.15 H new ATOM 0 HA ILE A 72 -8.729 -3.691 0.959 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.561 -1.395 -1.026 1.00 0.14 H new ATOM 0 HG12 ILE A 72 -7.246 -4.121 -0.816 1.00 0.16 H new ATOM 0 HG13 ILE A 72 -8.232 -3.494 -2.122 1.00 0.16 H new ATOM 0 HG21 ILE A 72 -6.215 -1.071 -0.345 1.00 0.14 H new ATOM 0 HG22 ILE A 72 -7.359 -0.698 0.967 1.00 0.14 H new ATOM 0 HG23 ILE A 72 -6.453 -2.229 0.985 1.00 0.14 H new ATOM 0 HD11 ILE A 72 -5.869 -3.558 -2.763 1.00 0.20 H new ATOM 0 HD12 ILE A 72 -6.455 -1.878 -2.707 1.00 0.20 H new ATOM 0 HD13 ILE A 72 -5.453 -2.515 -1.382 1.00 0.20 H new ATOM 1148 N ILE A 73 -8.699 -1.819 2.687 1.00 0.13 N ATOM 1149 CA ILE A 73 -8.817 -0.882 3.803 1.00 0.13 C ATOM 1150 C ILE A 73 -7.415 -0.473 4.241 1.00 0.13 C ATOM 1151 O ILE A 73 -6.639 -1.307 4.690 1.00 0.13 O ATOM 1152 CB ILE A 73 -9.554 -1.505 5.014 1.00 0.14 C ATOM 1153 CG1 ILE A 73 -11.046 -1.684 4.714 1.00 0.19 C ATOM 1154 CG2 ILE A 73 -9.349 -0.654 6.263 1.00 0.15 C ATOM 1155 CD1 ILE A 73 -11.775 -0.387 4.446 1.00 0.24 C ATOM 0 H ILE A 73 -7.935 -2.486 2.797 1.00 0.13 H new ATOM 0 HA ILE A 73 -9.398 -0.024 3.464 1.00 0.13 H new ATOM 0 HB ILE A 73 -9.129 -2.491 5.200 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -11.157 -2.338 3.849 1.00 0.19 H new ATOM 0 HG13 ILE A 73 -11.519 -2.188 5.557 1.00 0.19 H new ATOM 0 HG21 ILE A 73 -9.875 -1.108 7.103 1.00 0.15 H new ATOM 0 HG22 ILE A 73 -8.285 -0.593 6.491 1.00 0.15 H new ATOM 0 HG23 ILE A 73 -9.741 0.348 6.089 1.00 0.15 H new ATOM 0 HD11 ILE A 73 -12.825 -0.595 4.242 1.00 0.24 H new ATOM 0 HD12 ILE A 73 -11.697 0.262 5.319 1.00 0.24 H new ATOM 0 HD13 ILE A 73 -11.330 0.109 3.584 1.00 0.24 H new ATOM 1167 N PRO A 74 -7.047 0.797 4.087 1.00 0.17 N ATOM 1168 CA PRO A 74 -5.703 1.252 4.373 1.00 0.18 C ATOM 1169 C PRO A 74 -5.510 1.805 5.789 1.00 0.17 C ATOM 1170 O PRO A 74 -6.007 2.879 6.127 1.00 0.19 O ATOM 1171 CB PRO A 74 -5.504 2.352 3.326 1.00 0.23 C ATOM 1172 CG PRO A 74 -6.882 2.812 2.934 1.00 0.31 C ATOM 1173 CD PRO A 74 -7.882 1.891 3.598 1.00 0.23 C ATOM 0 HA PRO A 74 -4.984 0.434 4.327 1.00 0.18 H new ATOM 0 HB2 PRO A 74 -4.920 3.177 3.734 1.00 0.23 H new ATOM 0 HB3 PRO A 74 -4.959 1.973 2.461 1.00 0.23 H new ATOM 0 HG2 PRO A 74 -7.045 3.843 3.248 1.00 0.31 H new ATOM 0 HG3 PRO A 74 -7.000 2.787 1.851 1.00 0.31 H new ATOM 0 HD2 PRO A 74 -8.412 2.389 4.410 1.00 0.23 H new ATOM 0 HD3 PRO A 74 -8.636 1.539 2.894 1.00 0.23 H new ATOM 1181 N SER A 75 -4.794 1.049 6.617 1.00 0.16 N ATOM 1182 CA SER A 75 -4.276 1.561 7.885 1.00 0.17 C ATOM 1183 C SER A 75 -3.073 2.452 7.576 1.00 0.16 C ATOM 1184 O SER A 75 -2.681 3.320 8.353 1.00 0.20 O ATOM 1185 CB SER A 75 -3.879 0.403 8.810 1.00 0.20 C ATOM 1186 OG SER A 75 -3.452 0.873 10.076 1.00 1.19 O ATOM 0 H SER A 75 -4.558 0.074 6.432 1.00 0.16 H new ATOM 0 HA SER A 75 -5.042 2.139 8.402 1.00 0.17 H new ATOM 0 HB2 SER A 75 -4.727 -0.269 8.938 1.00 0.20 H new ATOM 0 HB3 SER A 75 -3.080 -0.176 8.347 1.00 0.20 H new ATOM 0 HG SER A 75 -3.208 0.111 10.642 1.00 1.19 H new ATOM 1192 N CYS A 76 -2.524 2.219 6.390 1.00 0.17 N ATOM 1193 CA CYS A 76 -1.520 3.072 5.751 1.00 0.17 C ATOM 1194 C CYS A 76 -2.101 4.444 5.393 1.00 0.16 C ATOM 1195 O CYS A 76 -1.568 5.135 4.530 1.00 0.20 O ATOM 1196 CB CYS A 76 -0.926 2.402 4.514 1.00 0.25 C ATOM 1197 SG CYS A 76 -0.334 0.728 4.814 1.00 0.90 S ATOM 0 H CYS A 76 -2.771 1.406 5.826 1.00 0.17 H new ATOM 0 HA CYS A 76 -0.717 3.222 6.473 1.00 0.17 H new ATOM 0 HB2 CYS A 76 -1.680 2.376 3.728 1.00 0.25 H new ATOM 0 HB3 CYS A 76 -0.100 3.009 4.143 1.00 0.25 H new ATOM 0 HG CYS A 76 -1.167 0.107 5.596 1.00 0.90 H new ATOM 1203 N SER A 77 -3.264 4.754 5.961 1.00 0.20 N ATOM 1204 CA SER A 77 -4.070 5.923 5.612 1.00 0.25 C ATOM 1205 C SER A 77 -3.298 7.256 5.566 1.00 0.24 C ATOM 1206 O SER A 77 -3.865 8.272 5.174 1.00 0.26 O ATOM 1207 CB SER A 77 -5.224 6.029 6.609 1.00 0.34 C ATOM 1208 OG SER A 77 -4.754 5.869 7.939 1.00 0.71 O ATOM 0 H SER A 77 -3.684 4.185 6.696 1.00 0.20 H new ATOM 0 HA SER A 77 -4.422 5.763 4.593 1.00 0.25 H new ATOM 0 HB2 SER A 77 -5.713 6.997 6.505 1.00 0.34 H new ATOM 0 HB3 SER A 77 -5.973 5.268 6.389 1.00 0.34 H new ATOM 0 HG SER A 77 -5.506 5.941 8.563 1.00 0.71 H new ATOM 1214 N TYR A 78 -2.025 7.270 5.955 1.00 0.23 N ATOM 1215 CA TYR A 78 -1.158 8.394 5.607 1.00 0.24 C ATOM 1216 C TYR A 78 -1.145 8.528 4.084 1.00 0.20 C ATOM 1217 O TYR A 78 -1.327 9.614 3.534 1.00 0.21 O ATOM 1218 CB TYR A 78 0.273 8.174 6.140 1.00 0.27 C ATOM 1219 CG TYR A 78 1.369 8.442 5.117 1.00 0.24 C ATOM 1220 CD1 TYR A 78 1.772 9.738 4.812 1.00 0.24 C ATOM 1221 CD2 TYR A 78 1.985 7.391 4.447 1.00 0.26 C ATOM 1222 CE1 TYR A 78 2.758 9.973 3.869 1.00 0.25 C ATOM 1223 CE2 TYR A 78 2.970 7.617 3.506 1.00 0.27 C ATOM 1224 CZ TYR A 78 3.351 8.910 3.218 1.00 0.25 C ATOM 1225 OH TYR A 78 4.333 9.142 2.278 1.00 0.30 O ATOM 0 H TYR A 78 -1.578 6.533 6.500 1.00 0.23 H new ATOM 0 HA TYR A 78 -1.538 9.307 6.064 1.00 0.24 H new ATOM 0 HB2 TYR A 78 0.431 8.821 7.003 1.00 0.27 H new ATOM 0 HB3 TYR A 78 0.364 7.146 6.492 1.00 0.27 H new ATOM 0 HD1 TYR A 78 1.309 10.572 5.318 1.00 0.24 H new ATOM 0 HD2 TYR A 78 1.687 6.377 4.667 1.00 0.26 H new ATOM 0 HE1 TYR A 78 3.062 10.984 3.644 1.00 0.25 H new ATOM 0 HE2 TYR A 78 3.439 6.786 2.999 1.00 0.27 H new ATOM 0 HH TYR A 78 4.818 9.962 2.507 1.00 0.30 H new ATOM 1235 N VAL A 79 -0.955 7.391 3.420 1.00 0.18 N ATOM 1236 CA VAL A 79 -0.996 7.315 1.976 1.00 0.17 C ATOM 1237 C VAL A 79 -2.372 7.682 1.474 1.00 0.18 C ATOM 1238 O VAL A 79 -2.520 8.560 0.636 1.00 0.19 O ATOM 1239 CB VAL A 79 -0.669 5.894 1.470 1.00 0.18 C ATOM 1240 CG1 VAL A 79 -0.809 5.818 -0.042 1.00 0.20 C ATOM 1241 CG2 VAL A 79 0.722 5.465 1.904 1.00 0.18 C ATOM 0 H VAL A 79 -0.768 6.498 3.876 1.00 0.18 H new ATOM 0 HA VAL A 79 -0.248 8.012 1.599 1.00 0.17 H new ATOM 0 HB VAL A 79 -1.386 5.205 1.916 1.00 0.18 H new ATOM 0 HG11 VAL A 79 -0.574 4.808 -0.379 1.00 0.20 H new ATOM 0 HG12 VAL A 79 -1.832 6.067 -0.326 1.00 0.20 H new ATOM 0 HG13 VAL A 79 -0.122 6.525 -0.507 1.00 0.20 H new ATOM 0 HG21 VAL A 79 0.925 4.460 1.533 1.00 0.18 H new ATOM 0 HG22 VAL A 79 1.460 6.157 1.498 1.00 0.18 H new ATOM 0 HG23 VAL A 79 0.781 5.469 2.992 1.00 0.18 H new ATOM 1251 N SER A 80 -3.383 7.023 2.017 1.00 0.20 N ATOM 1252 CA SER A 80 -4.734 7.171 1.493 1.00 0.25 C ATOM 1253 C SER A 80 -5.213 8.617 1.617 1.00 0.23 C ATOM 1254 O SER A 80 -5.946 9.112 0.766 1.00 0.23 O ATOM 1255 CB SER A 80 -5.702 6.221 2.204 1.00 0.36 C ATOM 1256 OG SER A 80 -5.899 6.592 3.551 1.00 0.99 O ATOM 0 H SER A 80 -3.298 6.388 2.810 1.00 0.20 H new ATOM 0 HA SER A 80 -4.713 6.909 0.435 1.00 0.25 H new ATOM 0 HB2 SER A 80 -6.659 6.219 1.683 1.00 0.36 H new ATOM 0 HB3 SER A 80 -5.313 5.204 2.159 1.00 0.36 H new ATOM 0 HG SER A 80 -6.857 6.710 3.721 1.00 0.99 H new ATOM 1262 N ASP A 81 -4.763 9.288 2.663 1.00 0.24 N ATOM 1263 CA ASP A 81 -5.159 10.666 2.928 1.00 0.25 C ATOM 1264 C ASP A 81 -4.662 11.614 1.846 1.00 0.25 C ATOM 1265 O ASP A 81 -5.427 12.405 1.312 1.00 0.27 O ATOM 1266 CB ASP A 81 -4.631 11.115 4.295 1.00 0.31 C ATOM 1267 CG ASP A 81 -4.727 12.614 4.501 1.00 0.38 C ATOM 1268 OD1 ASP A 81 -5.843 13.112 4.746 1.00 0.48 O ATOM 1269 OD2 ASP A 81 -3.693 13.304 4.409 1.00 0.47 O ATOM 0 H ASP A 81 -4.117 8.899 3.350 1.00 0.24 H new ATOM 0 HA ASP A 81 -6.248 10.700 2.929 1.00 0.25 H new ATOM 0 HB2 ASP A 81 -5.193 10.609 5.080 1.00 0.31 H new ATOM 0 HB3 ASP A 81 -3.591 10.805 4.397 1.00 0.31 H new ATOM 1274 N THR A 82 -3.374 11.566 1.561 1.00 0.23 N ATOM 1275 CA THR A 82 -2.786 12.449 0.555 1.00 0.25 C ATOM 1276 C THR A 82 -2.845 11.850 -0.861 1.00 0.22 C ATOM 1277 O THR A 82 -3.311 12.489 -1.813 1.00 0.23 O ATOM 1278 CB THR A 82 -1.328 12.835 0.916 1.00 0.28 C ATOM 1279 OG1 THR A 82 -0.771 13.675 -0.105 1.00 0.31 O ATOM 1280 CG2 THR A 82 -0.445 11.605 1.109 1.00 0.26 C ATOM 0 H THR A 82 -2.712 10.930 2.006 1.00 0.23 H new ATOM 0 HA THR A 82 -3.393 13.354 0.554 1.00 0.25 H new ATOM 0 HB THR A 82 -1.359 13.377 1.861 1.00 0.28 H new ATOM 0 HG1 THR A 82 0.149 13.914 0.134 1.00 0.31 H new ATOM 0 HG21 THR A 82 0.568 11.920 1.361 1.00 0.26 H new ATOM 0 HG22 THR A 82 -0.846 10.993 1.917 1.00 0.26 H new ATOM 0 HG23 THR A 82 -0.426 11.023 0.188 1.00 0.26 H new ATOM 1288 N PHE A 83 -2.379 10.616 -0.983 1.00 0.19 N ATOM 1289 CA PHE A 83 -2.143 9.990 -2.277 1.00 0.19 C ATOM 1290 C PHE A 83 -3.428 9.589 -2.987 1.00 0.19 C ATOM 1291 O PHE A 83 -3.487 9.598 -4.212 1.00 0.21 O ATOM 1292 CB PHE A 83 -1.274 8.756 -2.090 1.00 0.18 C ATOM 1293 CG PHE A 83 -0.408 8.438 -3.273 1.00 0.80 C ATOM 1294 CD1 PHE A 83 0.547 9.339 -3.711 1.00 0.81 C ATOM 1295 CD2 PHE A 83 -0.552 7.237 -3.948 1.00 1.54 C ATOM 1296 CE1 PHE A 83 1.345 9.046 -4.800 1.00 1.50 C ATOM 1297 CE2 PHE A 83 0.244 6.938 -5.036 1.00 2.25 C ATOM 1298 CZ PHE A 83 1.196 7.855 -5.465 1.00 2.24 C ATOM 0 H PHE A 83 -2.153 10.019 -0.187 1.00 0.19 H new ATOM 0 HA PHE A 83 -1.644 10.730 -2.902 1.00 0.19 H new ATOM 0 HB2 PHE A 83 -0.639 8.900 -1.216 1.00 0.18 H new ATOM 0 HB3 PHE A 83 -1.916 7.900 -1.881 1.00 0.18 H new ATOM 0 HD1 PHE A 83 0.670 10.281 -3.196 1.00 0.81 H new ATOM 0 HD2 PHE A 83 -1.296 6.526 -3.619 1.00 1.54 H new ATOM 0 HE1 PHE A 83 2.089 9.757 -5.129 1.00 1.50 H new ATOM 0 HE2 PHE A 83 0.127 5.996 -5.551 1.00 2.25 H new ATOM 0 HZ PHE A 83 1.817 7.631 -6.320 1.00 2.24 H new ATOM 1308 N LEU A 84 -4.445 9.211 -2.234 1.00 0.18 N ATOM 1309 CA LEU A 84 -5.683 8.736 -2.848 1.00 0.19 C ATOM 1310 C LEU A 84 -6.576 9.857 -3.400 1.00 0.22 C ATOM 1311 O LEU A 84 -7.269 9.638 -4.378 1.00 0.26 O ATOM 1312 CB LEU A 84 -6.446 7.818 -1.905 1.00 0.20 C ATOM 1313 CG LEU A 84 -5.963 6.369 -1.943 1.00 0.25 C ATOM 1314 CD1 LEU A 84 -6.655 5.537 -0.889 1.00 0.35 C ATOM 1315 CD2 LEU A 84 -6.200 5.770 -3.318 1.00 0.34 C ATOM 0 H LEU A 84 -4.446 9.221 -1.214 1.00 0.18 H new ATOM 0 HA LEU A 84 -5.381 8.157 -3.721 1.00 0.19 H new ATOM 0 HB2 LEU A 84 -6.353 8.197 -0.887 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -7.505 7.847 -2.161 1.00 0.20 H new ATOM 0 HG LEU A 84 -4.893 6.365 -1.733 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -6.292 4.511 -0.939 1.00 0.35 H new ATOM 0 HD12 LEU A 84 -6.442 5.949 0.097 1.00 0.35 H new ATOM 0 HD13 LEU A 84 -7.731 5.550 -1.064 1.00 0.35 H new ATOM 0 HD21 LEU A 84 -5.851 4.737 -3.330 1.00 0.34 H new ATOM 0 HD22 LEU A 84 -7.265 5.796 -3.547 1.00 0.34 H new ATOM 0 HD23 LEU A 84 -5.654 6.346 -4.065 1.00 0.34 H new ATOM 1327 N PRO A 85 -6.615 11.055 -2.799 1.00 0.22 N ATOM 1328 CA PRO A 85 -7.190 12.224 -3.477 1.00 0.26 C ATOM 1329 C PRO A 85 -6.409 12.551 -4.745 1.00 0.28 C ATOM 1330 O PRO A 85 -6.946 13.082 -5.718 1.00 0.33 O ATOM 1331 CB PRO A 85 -7.040 13.353 -2.462 1.00 0.28 C ATOM 1332 CG PRO A 85 -6.901 12.670 -1.152 1.00 0.30 C ATOM 1333 CD PRO A 85 -6.208 11.364 -1.426 1.00 0.22 C ATOM 0 HA PRO A 85 -8.224 12.060 -3.782 1.00 0.26 H new ATOM 0 HB2 PRO A 85 -6.168 13.969 -2.681 1.00 0.28 H new ATOM 0 HB3 PRO A 85 -7.907 14.013 -2.474 1.00 0.28 H new ATOM 0 HG2 PRO A 85 -6.323 13.278 -0.456 1.00 0.30 H new ATOM 0 HG3 PRO A 85 -7.877 12.504 -0.695 1.00 0.30 H new ATOM 0 HD2 PRO A 85 -5.125 11.455 -1.337 1.00 0.22 H new ATOM 0 HD3 PRO A 85 -6.521 10.587 -0.728 1.00 0.22 H new ATOM 1341 N ARG A 86 -5.124 12.220 -4.710 1.00 0.27 N ATOM 1342 CA ARG A 86 -4.237 12.399 -5.852 1.00 0.31 C ATOM 1343 C ARG A 86 -4.508 11.330 -6.916 1.00 0.35 C ATOM 1344 O ARG A 86 -4.346 11.571 -8.113 1.00 0.48 O ATOM 1345 CB ARG A 86 -2.786 12.336 -5.365 1.00 0.33 C ATOM 1346 CG ARG A 86 -1.738 12.406 -6.461 1.00 0.75 C ATOM 1347 CD ARG A 86 -0.344 12.358 -5.864 1.00 0.72 C ATOM 1348 NE ARG A 86 0.694 12.205 -6.881 1.00 1.43 N ATOM 1349 CZ ARG A 86 1.901 12.751 -6.790 1.00 1.69 C ATOM 1350 NH1 ARG A 86 2.201 13.528 -5.756 1.00 1.44 N ATOM 1351 NH2 ARG A 86 2.807 12.528 -7.735 1.00 2.56 N ATOM 0 H ARG A 86 -4.668 11.820 -3.890 1.00 0.27 H new ATOM 0 HA ARG A 86 -4.419 13.371 -6.311 1.00 0.31 H new ATOM 0 HB2 ARG A 86 -2.617 13.157 -4.668 1.00 0.33 H new ATOM 0 HB3 ARG A 86 -2.646 11.410 -4.807 1.00 0.33 H new ATOM 0 HG2 ARG A 86 -1.872 11.576 -7.155 1.00 0.75 H new ATOM 0 HG3 ARG A 86 -1.863 13.324 -7.035 1.00 0.75 H new ATOM 0 HD2 ARG A 86 -0.163 13.272 -5.299 1.00 0.72 H new ATOM 0 HD3 ARG A 86 -0.282 11.529 -5.159 1.00 0.72 H new ATOM 0 HE ARG A 86 0.479 11.647 -7.708 1.00 1.43 H new ATOM 0 HH11 ARG A 86 1.505 13.705 -5.032 1.00 1.44 H new ATOM 0 HH12 ARG A 86 3.128 13.948 -5.685 1.00 1.44 H new ATOM 0 HH21 ARG A 86 2.576 11.936 -8.533 1.00 2.56 H new ATOM 0 HH22 ARG A 86 3.733 12.949 -7.663 1.00 2.56 H new ATOM 1365 N ASN A 87 -4.928 10.153 -6.466 1.00 0.30 N ATOM 1366 CA ASN A 87 -5.251 9.040 -7.359 1.00 0.37 C ATOM 1367 C ASN A 87 -6.529 8.347 -6.900 1.00 0.34 C ATOM 1368 O ASN A 87 -6.481 7.246 -6.349 1.00 0.35 O ATOM 1369 CB ASN A 87 -4.114 8.008 -7.392 1.00 0.50 C ATOM 1370 CG ASN A 87 -2.822 8.549 -7.968 1.00 0.95 C ATOM 1371 OD1 ASN A 87 -2.589 8.475 -9.173 1.00 1.78 O ATOM 1372 ND2 ASN A 87 -1.968 9.084 -7.109 1.00 1.22 N ATOM 0 H ASN A 87 -5.055 9.941 -5.476 1.00 0.30 H new ATOM 0 HA ASN A 87 -5.389 9.451 -8.359 1.00 0.37 H new ATOM 0 HB2 ASN A 87 -3.929 7.651 -6.379 1.00 0.50 H new ATOM 0 HB3 ASN A 87 -4.432 7.147 -7.980 1.00 0.50 H new ATOM 0 HD21 ASN A 87 -1.077 9.455 -7.439 1.00 1.22 H new ATOM 0 HD22 ASN A 87 -2.201 9.125 -6.117 1.00 1.22 H new ATOM 1379 N PRO A 88 -7.695 8.980 -7.101 1.00 0.38 N ATOM 1380 CA PRO A 88 -8.981 8.463 -6.620 1.00 0.42 C ATOM 1381 C PRO A 88 -9.514 7.317 -7.475 1.00 0.49 C ATOM 1382 O PRO A 88 -10.719 7.201 -7.700 1.00 0.89 O ATOM 1383 CB PRO A 88 -9.922 9.675 -6.721 1.00 0.53 C ATOM 1384 CG PRO A 88 -9.057 10.836 -7.083 1.00 0.51 C ATOM 1385 CD PRO A 88 -7.866 10.261 -7.788 1.00 0.46 C ATOM 0 HA PRO A 88 -8.892 8.052 -5.614 1.00 0.42 H new ATOM 0 HB2 PRO A 88 -10.691 9.511 -7.476 1.00 0.53 H new ATOM 0 HB3 PRO A 88 -10.436 9.850 -5.776 1.00 0.53 H new ATOM 0 HG2 PRO A 88 -9.591 11.535 -7.727 1.00 0.51 H new ATOM 0 HG3 PRO A 88 -8.754 11.389 -6.194 1.00 0.51 H new ATOM 0 HD2 PRO A 88 -8.047 10.131 -8.855 1.00 0.46 H new ATOM 0 HD3 PRO A 88 -6.987 10.898 -7.689 1.00 0.46 H new ATOM 1393 N SER A 89 -8.621 6.441 -7.906 1.00 0.30 N ATOM 1394 CA SER A 89 -8.991 5.360 -8.805 1.00 0.36 C ATOM 1395 C SER A 89 -9.176 4.059 -8.038 1.00 0.34 C ATOM 1396 O SER A 89 -9.590 3.048 -8.603 1.00 0.42 O ATOM 1397 CB SER A 89 -7.916 5.185 -9.880 1.00 0.44 C ATOM 1398 OG SER A 89 -7.695 6.395 -10.583 1.00 1.37 O ATOM 0 H SER A 89 -7.634 6.457 -7.648 1.00 0.30 H new ATOM 0 HA SER A 89 -9.938 5.616 -9.281 1.00 0.36 H new ATOM 0 HB2 SER A 89 -6.986 4.854 -9.418 1.00 0.44 H new ATOM 0 HB3 SER A 89 -8.220 4.405 -10.579 1.00 0.44 H new ATOM 0 HG SER A 89 -7.003 6.257 -11.263 1.00 1.37 H new ATOM 1404 N TRP A 90 -8.895 4.095 -6.743 1.00 0.30 N ATOM 1405 CA TRP A 90 -8.895 2.882 -5.940 1.00 0.28 C ATOM 1406 C TRP A 90 -10.033 2.920 -4.933 1.00 0.32 C ATOM 1407 O TRP A 90 -10.131 2.076 -4.042 1.00 0.33 O ATOM 1408 CB TRP A 90 -7.552 2.735 -5.236 1.00 0.29 C ATOM 1409 CG TRP A 90 -6.386 2.963 -6.156 1.00 0.30 C ATOM 1410 CD1 TRP A 90 -5.530 4.025 -6.143 1.00 0.35 C ATOM 1411 CD2 TRP A 90 -5.967 2.124 -7.237 1.00 0.30 C ATOM 1412 NE1 TRP A 90 -4.597 3.893 -7.140 1.00 0.38 N ATOM 1413 CE2 TRP A 90 -4.843 2.733 -7.827 1.00 0.35 C ATOM 1414 CE3 TRP A 90 -6.426 0.912 -7.760 1.00 0.29 C ATOM 1415 CZ2 TRP A 90 -4.176 2.174 -8.915 1.00 0.39 C ATOM 1416 CZ3 TRP A 90 -5.763 0.358 -8.839 1.00 0.34 C ATOM 1417 CH2 TRP A 90 -4.649 0.990 -9.407 1.00 0.38 C ATOM 0 H TRP A 90 -8.666 4.946 -6.229 1.00 0.30 H new ATOM 0 HA TRP A 90 -9.045 2.019 -6.588 1.00 0.28 H new ATOM 0 HB2 TRP A 90 -7.501 3.443 -4.409 1.00 0.29 H new ATOM 0 HB3 TRP A 90 -7.480 1.736 -4.805 1.00 0.29 H new ATOM 0 HD1 TRP A 90 -5.580 4.850 -5.448 1.00 0.35 H new ATOM 0 HE1 TRP A 90 -3.843 4.551 -7.338 1.00 0.38 H new ATOM 0 HE3 TRP A 90 -7.284 0.417 -7.329 1.00 0.29 H new ATOM 0 HZ2 TRP A 90 -3.316 2.659 -9.354 1.00 0.39 H new ATOM 0 HZ3 TRP A 90 -6.110 -0.578 -9.251 1.00 0.34 H new ATOM 0 HH2 TRP A 90 -4.154 0.532 -10.251 1.00 0.38 H new ATOM 1428 N LYS A 91 -10.896 3.914 -5.100 1.00 0.37 N ATOM 1429 CA LYS A 91 -12.096 4.055 -4.289 1.00 0.43 C ATOM 1430 C LYS A 91 -13.008 2.818 -4.387 1.00 0.41 C ATOM 1431 O LYS A 91 -13.589 2.421 -3.385 1.00 0.42 O ATOM 1432 CB LYS A 91 -12.865 5.317 -4.697 1.00 0.55 C ATOM 1433 CG LYS A 91 -14.046 5.622 -3.793 1.00 1.20 C ATOM 1434 CD LYS A 91 -14.706 6.942 -4.141 1.00 1.38 C ATOM 1435 CE LYS A 91 -15.398 6.889 -5.490 1.00 1.83 C ATOM 1436 NZ LYS A 91 -16.516 5.904 -5.508 1.00 2.61 N ATOM 0 H LYS A 91 -10.783 4.645 -5.802 1.00 0.37 H new ATOM 0 HA LYS A 91 -11.781 4.145 -3.250 1.00 0.43 H new ATOM 0 HB2 LYS A 91 -12.183 6.167 -4.691 1.00 0.55 H new ATOM 0 HB3 LYS A 91 -13.221 5.202 -5.721 1.00 0.55 H new ATOM 0 HG2 LYS A 91 -14.779 4.819 -3.872 1.00 1.20 H new ATOM 0 HG3 LYS A 91 -13.711 5.647 -2.756 1.00 1.20 H new ATOM 0 HD2 LYS A 91 -15.432 7.199 -3.370 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -13.956 7.732 -4.149 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -15.783 7.878 -5.739 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -14.672 6.627 -6.259 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -17.125 6.085 -6.332 1.00 2.61 H new ATOM 0 HZ2 LYS A 91 -16.129 4.941 -5.568 1.00 2.61 H new ATOM 0 HZ3 LYS A 91 -17.076 5.998 -4.637 1.00 2.61 H new ATOM 1450 N PRO A 92 -13.175 2.196 -5.587 1.00 0.41 N ATOM 1451 CA PRO A 92 -13.949 0.949 -5.733 1.00 0.42 C ATOM 1452 C PRO A 92 -13.446 -0.189 -4.852 1.00 0.38 C ATOM 1453 O PRO A 92 -14.181 -1.136 -4.567 1.00 0.48 O ATOM 1454 CB PRO A 92 -13.780 0.574 -7.212 1.00 0.46 C ATOM 1455 CG PRO A 92 -12.638 1.397 -7.693 1.00 0.69 C ATOM 1456 CD PRO A 92 -12.701 2.663 -6.901 1.00 0.43 C ATOM 0 HA PRO A 92 -14.983 1.105 -5.426 1.00 0.42 H new ATOM 0 HB2 PRO A 92 -13.575 -0.490 -7.328 1.00 0.46 H new ATOM 0 HB3 PRO A 92 -14.686 0.788 -7.779 1.00 0.46 H new ATOM 0 HG2 PRO A 92 -11.690 0.883 -7.537 1.00 0.69 H new ATOM 0 HG3 PRO A 92 -12.720 1.597 -8.761 1.00 0.69 H new ATOM 0 HD2 PRO A 92 -11.727 3.147 -6.832 1.00 0.43 H new ATOM 0 HD3 PRO A 92 -13.385 3.386 -7.345 1.00 0.43 H new ATOM 1464 N LEU A 93 -12.197 -0.099 -4.428 1.00 0.30 N ATOM 1465 CA LEU A 93 -11.604 -1.135 -3.602 1.00 0.26 C ATOM 1466 C LEU A 93 -11.827 -0.814 -2.138 1.00 0.22 C ATOM 1467 O LEU A 93 -12.302 -1.642 -1.365 1.00 0.21 O ATOM 1468 CB LEU A 93 -10.109 -1.227 -3.884 1.00 0.25 C ATOM 1469 CG LEU A 93 -9.751 -1.257 -5.363 1.00 0.25 C ATOM 1470 CD1 LEU A 93 -8.247 -1.143 -5.551 1.00 0.26 C ATOM 1471 CD2 LEU A 93 -10.271 -2.531 -6.010 1.00 0.26 C ATOM 0 H LEU A 93 -11.575 0.680 -4.642 1.00 0.30 H new ATOM 0 HA LEU A 93 -12.074 -2.090 -3.836 1.00 0.26 H new ATOM 0 HB2 LEU A 93 -9.610 -0.377 -3.419 1.00 0.25 H new ATOM 0 HB3 LEU A 93 -9.716 -2.126 -3.409 1.00 0.25 H new ATOM 0 HG LEU A 93 -10.224 -0.404 -5.848 1.00 0.25 H new ATOM 0 HD11 LEU A 93 -8.010 -1.166 -6.615 1.00 0.26 H new ATOM 0 HD12 LEU A 93 -7.897 -0.204 -5.122 1.00 0.26 H new ATOM 0 HD13 LEU A 93 -7.754 -1.977 -5.051 1.00 0.26 H new ATOM 0 HD21 LEU A 93 -10.006 -2.536 -7.067 1.00 0.26 H new ATOM 0 HD22 LEU A 93 -9.825 -3.396 -5.520 1.00 0.26 H new ATOM 0 HD23 LEU A 93 -11.355 -2.575 -5.907 1.00 0.26 H new ATOM 1483 N ILE A 94 -11.479 0.402 -1.770 1.00 0.27 N ATOM 1484 CA ILE A 94 -11.604 0.850 -0.398 1.00 0.22 C ATOM 1485 C ILE A 94 -12.911 1.600 -0.206 1.00 0.27 C ATOM 1486 O ILE A 94 -13.899 1.346 -0.893 1.00 0.36 O ATOM 1487 CB ILE A 94 -10.435 1.779 -0.006 1.00 0.25 C ATOM 1488 CG1 ILE A 94 -10.451 3.064 -0.830 1.00 0.39 C ATOM 1489 CG2 ILE A 94 -9.105 1.072 -0.193 1.00 0.27 C ATOM 1490 CD1 ILE A 94 -9.492 4.097 -0.303 1.00 0.75 C ATOM 0 H ILE A 94 -11.104 1.103 -2.409 1.00 0.27 H new ATOM 0 HA ILE A 94 -11.585 -0.034 0.239 1.00 0.22 H new ATOM 0 HB ILE A 94 -10.559 2.038 1.045 1.00 0.25 H new ATOM 0 HG12 ILE A 94 -10.198 2.832 -1.864 1.00 0.39 H new ATOM 0 HG13 ILE A 94 -11.460 3.477 -0.834 1.00 0.39 H new ATOM 0 HG21 ILE A 94 -8.293 1.743 0.088 1.00 0.27 H new ATOM 0 HG22 ILE A 94 -9.074 0.182 0.436 1.00 0.27 H new ATOM 0 HG23 ILE A 94 -8.991 0.782 -1.238 1.00 0.27 H new ATOM 0 HD11 ILE A 94 -9.543 4.991 -0.925 1.00 0.75 H new ATOM 0 HD12 ILE A 94 -9.760 4.352 0.722 1.00 0.75 H new ATOM 0 HD13 ILE A 94 -8.478 3.697 -0.325 1.00 0.75 H new ATOM 1502 N HIS A 95 -12.917 2.500 0.758 1.00 0.31 N ATOM 1503 CA HIS A 95 -14.002 3.440 0.900 1.00 0.43 C ATOM 1504 C HIS A 95 -13.711 4.667 0.055 1.00 0.39 C ATOM 1505 O HIS A 95 -14.344 4.873 -0.972 1.00 0.55 O ATOM 1506 CB HIS A 95 -14.179 3.820 2.362 1.00 0.64 C ATOM 1507 CG HIS A 95 -14.651 2.680 3.204 1.00 1.05 C ATOM 1508 ND1 HIS A 95 -15.779 1.939 2.916 1.00 2.01 N ATOM 1509 CD2 HIS A 95 -14.121 2.133 4.318 1.00 1.22 C ATOM 1510 CE1 HIS A 95 -15.917 0.990 3.818 1.00 2.24 C ATOM 1511 NE2 HIS A 95 -14.925 1.085 4.680 1.00 1.70 N ATOM 0 H HIS A 95 -12.178 2.597 1.455 1.00 0.31 H new ATOM 0 HA HIS A 95 -14.930 2.984 0.556 1.00 0.43 H new ATOM 0 HB2 HIS A 95 -13.231 4.187 2.754 1.00 0.64 H new ATOM 0 HB3 HIS A 95 -14.893 4.640 2.436 1.00 0.64 H new ATOM 0 HD2 HIS A 95 -13.228 2.461 4.829 1.00 1.22 H new ATOM 0 HE1 HIS A 95 -16.710 0.257 3.847 1.00 2.24 H new ATOM 0 HE2 HIS A 95 -14.780 0.477 5.486 1.00 1.70 H new ATOM 1520 N SER A 96 -12.730 5.460 0.501 1.00 0.41 N ATOM 1521 CA SER A 96 -12.226 6.618 -0.239 1.00 0.49 C ATOM 1522 C SER A 96 -11.315 7.442 0.662 1.00 0.67 C ATOM 1523 O SER A 96 -11.776 7.986 1.669 1.00 1.53 O ATOM 1524 CB SER A 96 -13.369 7.510 -0.734 1.00 0.51 C ATOM 1525 OG SER A 96 -14.349 7.688 0.273 1.00 1.43 O ATOM 0 H SER A 96 -12.261 5.313 1.395 1.00 0.41 H new ATOM 0 HA SER A 96 -11.676 6.247 -1.104 1.00 0.49 H new ATOM 0 HB2 SER A 96 -12.973 8.480 -1.036 1.00 0.51 H new ATOM 0 HB3 SER A 96 -13.827 7.064 -1.617 1.00 0.51 H new ATOM 0 HG SER A 96 -13.909 7.871 1.129 1.00 1.43 H new ATOM 1531 N GLU A 97 -10.029 7.502 0.323 1.00 0.58 N ATOM 1532 CA GLU A 97 -9.087 8.350 1.029 1.00 0.52 C ATOM 1533 C GLU A 97 -8.952 7.871 2.479 1.00 0.61 C ATOM 1534 O GLU A 97 -9.001 6.669 2.745 1.00 0.83 O ATOM 1535 CB GLU A 97 -9.577 9.799 0.952 1.00 0.47 C ATOM 1536 CG GLU A 97 -8.562 10.849 1.364 1.00 1.09 C ATOM 1537 CD GLU A 97 -9.235 12.137 1.766 1.00 1.52 C ATOM 1538 OE1 GLU A 97 -9.526 12.963 0.881 1.00 1.89 O ATOM 1539 OE2 GLU A 97 -9.502 12.306 2.971 1.00 1.79 O ATOM 0 H GLU A 97 -9.619 6.967 -0.443 1.00 0.58 H new ATOM 0 HA GLU A 97 -8.100 8.295 0.571 1.00 0.52 H new ATOM 0 HB2 GLU A 97 -9.893 10.004 -0.071 1.00 0.47 H new ATOM 0 HB3 GLU A 97 -10.459 9.901 1.585 1.00 0.47 H new ATOM 0 HG2 GLU A 97 -7.965 10.474 2.195 1.00 1.09 H new ATOM 0 HG3 GLU A 97 -7.876 11.038 0.538 1.00 1.09 H new