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 : amide:sc= -1.35! C(o=-1.4!,f=-6.5!) USER MOD Single : A 14 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.115) USER MOD Single : A 19 THR OG1 : rot 39:sc= 0.956 USER MOD Single : A 22 HIS : no HE2:sc= 1.12 K(o=1.1,f=-5.7!) USER MOD Single : A 28 TYR OH : rot -148:sc= 1.16 USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 1.28 (180deg=1.17) USER MOD Single : A 30 MET CE :methyl 161:sc= -0.0829 (180deg=-0.855) USER MOD Single : A 32 ASN : amide:sc=-0.000204 K(o=-0.0002,f=-0.72) USER MOD Single : A 33 ASN : amide:sc= -0.0811 X(o=-0.081,f=-0.081) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 141:sc= -0.653 (180deg=-2.21) USER MOD Single : A 41 HIS : no HD1:sc= -0.562 X(o=-0.56,f=-0.11) USER MOD Single : A 42 THR OG1 : rot 118:sc= -1.17! USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.00101 USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0.886 (180deg=0.813) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 58 CYS SG : rot -71:sc= -1.13! USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 91:sc= -0.5! USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.341 K(o=-0.34,f=-1.6) 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 141:sc= -2.34 USER MOD Single : A 77 SER OG : rot -16:sc= 1.21 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -1.56! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.339 K(o=-0.34,f=-3.3!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0648) USER MOD Single : A 95 HIS : no HE2:sc= -3.63 K(o=-3.6,f=-5.2!) USER MOD Single : A 96 SER OG : rot -8:sc= 0.948 USER MOD ----------------------------------------------------------------- ATOM 73 N PRO A 6 9.925 1.442 -8.768 1.00 0.66 N ATOM 74 CA PRO A 6 10.650 0.534 -7.876 1.00 0.47 C ATOM 75 C PRO A 6 10.302 -0.929 -8.130 1.00 0.48 C ATOM 76 O PRO A 6 9.348 -1.239 -8.851 1.00 0.62 O ATOM 77 CB PRO A 6 10.192 0.955 -6.473 1.00 0.59 C ATOM 78 CG PRO A 6 9.474 2.251 -6.656 1.00 0.87 C ATOM 79 CD PRO A 6 8.915 2.216 -8.043 1.00 0.84 C ATOM 0 HA PRO A 6 11.728 0.603 -8.022 1.00 0.47 H new ATOM 0 HB2 PRO A 6 9.537 0.203 -6.033 1.00 0.59 H new ATOM 0 HB3 PRO A 6 11.043 1.070 -5.801 1.00 0.59 H new ATOM 0 HG2 PRO A 6 8.680 2.366 -5.918 1.00 0.87 H new ATOM 0 HG3 PRO A 6 10.152 3.095 -6.529 1.00 0.87 H new ATOM 0 HD2 PRO A 6 7.936 1.738 -8.075 1.00 0.84 H new ATOM 0 HD3 PRO A 6 8.794 3.217 -8.458 1.00 0.84 H new ATOM 87 N LYS A 7 11.057 -1.825 -7.510 1.00 0.45 N ATOM 88 CA LYS A 7 10.883 -3.250 -7.721 1.00 0.52 C ATOM 89 C LYS A 7 10.346 -3.849 -6.440 1.00 0.42 C ATOM 90 O LYS A 7 11.107 -4.307 -5.586 1.00 0.42 O ATOM 91 CB LYS A 7 12.208 -3.931 -8.095 1.00 0.65 C ATOM 92 CG LYS A 7 12.955 -3.306 -9.271 1.00 1.24 C ATOM 93 CD LYS A 7 12.311 -3.621 -10.617 1.00 1.37 C ATOM 94 CE LYS A 7 11.158 -2.686 -10.931 1.00 1.70 C ATOM 95 NZ LYS A 7 10.612 -2.911 -12.292 1.00 2.49 N ATOM 0 H LYS A 7 11.800 -1.585 -6.853 1.00 0.45 H new ATOM 0 HA LYS A 7 10.190 -3.408 -8.548 1.00 0.52 H new ATOM 0 HB2 LYS A 7 12.862 -3.919 -7.223 1.00 0.65 H new ATOM 0 HB3 LYS A 7 12.007 -4.977 -8.328 1.00 0.65 H new ATOM 0 HG2 LYS A 7 12.995 -2.225 -9.137 1.00 1.24 H new ATOM 0 HG3 LYS A 7 13.984 -3.665 -9.273 1.00 1.24 H new ATOM 0 HD2 LYS A 7 13.062 -3.547 -11.404 1.00 1.37 H new ATOM 0 HD3 LYS A 7 11.952 -4.650 -10.615 1.00 1.37 H new ATOM 0 HE2 LYS A 7 10.366 -2.828 -10.195 1.00 1.70 H new ATOM 0 HE3 LYS A 7 11.495 -1.653 -10.842 1.00 1.70 H new ATOM 0 HZ1 LYS A 7 9.827 -2.251 -12.464 1.00 2.49 H new ATOM 0 HZ2 LYS A 7 11.360 -2.751 -12.997 1.00 2.49 H new ATOM 0 HZ3 LYS A 7 10.266 -3.889 -12.370 1.00 2.49 H new ATOM 109 N ILE A 8 9.038 -3.816 -6.299 1.00 0.41 N ATOM 110 CA ILE A 8 8.417 -4.181 -5.048 1.00 0.34 C ATOM 111 C ILE A 8 8.111 -5.673 -5.012 1.00 0.36 C ATOM 112 O ILE A 8 7.452 -6.210 -5.904 1.00 0.48 O ATOM 113 CB ILE A 8 7.134 -3.361 -4.808 1.00 0.45 C ATOM 114 CG1 ILE A 8 7.419 -1.864 -5.019 1.00 0.72 C ATOM 115 CG2 ILE A 8 6.608 -3.608 -3.401 1.00 0.36 C ATOM 116 CD1 ILE A 8 8.324 -1.254 -3.968 1.00 0.39 C ATOM 0 H ILE A 8 8.387 -3.541 -7.034 1.00 0.41 H new ATOM 0 HA ILE A 8 9.120 -3.954 -4.247 1.00 0.34 H new ATOM 0 HB ILE A 8 6.374 -3.677 -5.522 1.00 0.45 H new ATOM 0 HG12 ILE A 8 7.874 -1.726 -6.000 1.00 0.72 H new ATOM 0 HG13 ILE A 8 6.473 -1.322 -5.028 1.00 0.72 H new ATOM 0 HG21 ILE A 8 5.702 -3.023 -3.244 1.00 0.36 H new ATOM 0 HG22 ILE A 8 6.383 -4.667 -3.278 1.00 0.36 H new ATOM 0 HG23 ILE A 8 7.363 -3.311 -2.673 1.00 0.36 H new ATOM 0 HD11 ILE A 8 8.476 -0.197 -4.188 1.00 0.39 H new ATOM 0 HD12 ILE A 8 7.863 -1.358 -2.986 1.00 0.39 H new ATOM 0 HD13 ILE A 8 9.285 -1.768 -3.973 1.00 0.39 H new ATOM 128 N VAL A 9 8.598 -6.328 -3.974 1.00 0.31 N ATOM 129 CA VAL A 9 8.495 -7.769 -3.839 1.00 0.36 C ATOM 130 C VAL A 9 7.400 -8.140 -2.864 1.00 0.34 C ATOM 131 O VAL A 9 7.307 -7.572 -1.778 1.00 0.47 O ATOM 132 CB VAL A 9 9.823 -8.368 -3.336 1.00 0.41 C ATOM 133 CG1 VAL A 9 9.762 -9.889 -3.286 1.00 0.89 C ATOM 134 CG2 VAL A 9 10.969 -7.897 -4.205 1.00 0.86 C ATOM 0 H VAL A 9 9.078 -5.873 -3.198 1.00 0.31 H new ATOM 0 HA VAL A 9 8.261 -8.172 -4.824 1.00 0.36 H new ATOM 0 HB VAL A 9 9.992 -8.017 -2.318 1.00 0.41 H new ATOM 0 HG11 VAL A 9 10.714 -10.280 -2.927 1.00 0.89 H new ATOM 0 HG12 VAL A 9 8.965 -10.199 -2.610 1.00 0.89 H new ATOM 0 HG13 VAL A 9 9.563 -10.278 -4.285 1.00 0.89 H new ATOM 0 HG21 VAL A 9 11.902 -8.326 -3.841 1.00 0.86 H new ATOM 0 HG22 VAL A 9 10.800 -8.216 -5.234 1.00 0.86 H new ATOM 0 HG23 VAL A 9 11.031 -6.809 -4.168 1.00 0.86 H new ATOM 144 N TRP A 10 6.566 -9.084 -3.249 1.00 0.33 N ATOM 145 CA TRP A 10 5.549 -9.577 -2.352 1.00 0.31 C ATOM 146 C TRP A 10 6.120 -10.666 -1.458 1.00 0.34 C ATOM 147 O TRP A 10 6.501 -11.742 -1.925 1.00 0.42 O ATOM 148 CB TRP A 10 4.340 -10.096 -3.123 1.00 0.38 C ATOM 149 CG TRP A 10 3.273 -10.676 -2.231 1.00 0.41 C ATOM 150 CD1 TRP A 10 2.954 -10.272 -0.964 1.00 0.40 C ATOM 151 CD2 TRP A 10 2.387 -11.759 -2.537 1.00 0.50 C ATOM 152 NE1 TRP A 10 1.932 -11.038 -0.464 1.00 0.46 N ATOM 153 CE2 TRP A 10 1.562 -11.956 -1.412 1.00 0.52 C ATOM 154 CE3 TRP A 10 2.207 -12.578 -3.653 1.00 0.60 C ATOM 155 CZ2 TRP A 10 0.576 -12.941 -1.373 1.00 0.62 C ATOM 156 CZ3 TRP A 10 1.232 -13.556 -3.614 1.00 0.71 C ATOM 157 CH2 TRP A 10 0.426 -13.728 -2.482 1.00 0.72 C ATOM 0 H TRP A 10 6.574 -9.521 -4.171 1.00 0.33 H new ATOM 0 HA TRP A 10 5.216 -8.748 -1.727 1.00 0.31 H new ATOM 0 HB2 TRP A 10 3.913 -9.281 -3.708 1.00 0.38 H new ATOM 0 HB3 TRP A 10 4.668 -10.858 -3.830 1.00 0.38 H new ATOM 0 HD1 TRP A 10 3.438 -9.465 -0.433 1.00 0.40 H new ATOM 0 HE1 TRP A 10 1.515 -10.940 0.462 1.00 0.46 H new ATOM 0 HE3 TRP A 10 2.820 -12.449 -4.533 1.00 0.60 H new ATOM 0 HZ2 TRP A 10 -0.046 -13.078 -0.501 1.00 0.62 H new ATOM 0 HZ3 TRP A 10 1.089 -14.198 -4.470 1.00 0.71 H new ATOM 0 HH2 TRP A 10 -0.331 -14.499 -2.484 1.00 0.72 H new ATOM 168 N ASN A 11 6.193 -10.369 -0.176 1.00 0.34 N ATOM 169 CA ASN A 11 6.612 -11.341 0.808 1.00 0.43 C ATOM 170 C ASN A 11 5.377 -12.023 1.371 1.00 0.45 C ATOM 171 O ASN A 11 4.765 -11.527 2.315 1.00 0.46 O ATOM 172 CB ASN A 11 7.395 -10.668 1.931 1.00 0.47 C ATOM 173 CG ASN A 11 8.121 -11.666 2.812 1.00 0.63 C ATOM 174 OD1 ASN A 11 7.669 -12.795 3.013 1.00 1.39 O ATOM 175 ND2 ASN A 11 9.258 -11.254 3.332 1.00 1.08 N ATOM 0 H ASN A 11 5.965 -9.453 0.209 1.00 0.34 H new ATOM 0 HA ASN A 11 7.264 -12.076 0.337 1.00 0.43 H new ATOM 0 HB2 ASN A 11 8.118 -9.975 1.501 1.00 0.47 H new ATOM 0 HB3 ASN A 11 6.712 -10.078 2.542 1.00 0.47 H new ATOM 0 HD21 ASN A 11 9.802 -11.878 3.928 1.00 1.08 H new ATOM 0 HD22 ASN A 11 9.595 -10.311 3.139 1.00 1.08 H new ATOM 182 N GLU A 12 4.990 -13.136 0.766 1.00 0.53 N ATOM 183 CA GLU A 12 3.772 -13.835 1.162 1.00 0.59 C ATOM 184 C GLU A 12 3.917 -14.494 2.530 1.00 0.62 C ATOM 185 O GLU A 12 2.922 -14.861 3.155 1.00 0.65 O ATOM 186 CB GLU A 12 3.374 -14.871 0.112 1.00 0.76 C ATOM 187 CG GLU A 12 4.480 -15.842 -0.255 1.00 1.09 C ATOM 188 CD GLU A 12 4.002 -16.911 -1.209 1.00 1.43 C ATOM 189 OE1 GLU A 12 3.536 -17.968 -0.744 1.00 1.71 O ATOM 190 OE2 GLU A 12 4.096 -16.701 -2.438 1.00 1.92 O ATOM 0 H GLU A 12 5.500 -13.576 -0.000 1.00 0.53 H new ATOM 0 HA GLU A 12 2.981 -13.089 1.235 1.00 0.59 H new ATOM 0 HB2 GLU A 12 2.518 -15.436 0.481 1.00 0.76 H new ATOM 0 HB3 GLU A 12 3.048 -14.352 -0.789 1.00 0.76 H new ATOM 0 HG2 GLU A 12 5.307 -15.295 -0.708 1.00 1.09 H new ATOM 0 HG3 GLU A 12 4.866 -16.310 0.650 1.00 1.09 H new ATOM 197 N GLY A 13 5.149 -14.624 3.004 1.00 0.65 N ATOM 198 CA GLY A 13 5.365 -15.174 4.324 1.00 0.73 C ATOM 199 C GLY A 13 4.935 -14.192 5.389 1.00 0.70 C ATOM 200 O GLY A 13 4.490 -14.577 6.469 1.00 0.80 O ATOM 0 H GLY A 13 5.996 -14.360 2.501 1.00 0.65 H new ATOM 0 HA2 GLY A 13 4.806 -16.103 4.432 1.00 0.73 H new ATOM 0 HA3 GLY A 13 6.419 -15.420 4.453 1.00 0.73 H new ATOM 204 N LYS A 14 5.060 -12.911 5.065 1.00 0.59 N ATOM 205 CA LYS A 14 4.685 -11.841 5.976 1.00 0.59 C ATOM 206 C LYS A 14 3.368 -11.216 5.548 1.00 0.51 C ATOM 207 O LYS A 14 2.767 -10.446 6.295 1.00 0.55 O ATOM 208 CB LYS A 14 5.765 -10.773 5.991 1.00 0.61 C ATOM 209 CG LYS A 14 7.148 -11.354 6.113 1.00 0.86 C ATOM 210 CD LYS A 14 7.989 -10.583 7.095 1.00 1.21 C ATOM 211 CE LYS A 14 9.350 -11.229 7.239 1.00 1.26 C ATOM 212 NZ LYS A 14 9.282 -12.511 7.986 1.00 1.79 N ATOM 0 H LYS A 14 5.422 -12.587 4.168 1.00 0.59 H new ATOM 0 HA LYS A 14 4.572 -12.262 6.975 1.00 0.59 H new ATOM 0 HB2 LYS A 14 5.701 -10.184 5.076 1.00 0.61 H new ATOM 0 HB3 LYS A 14 5.586 -10.091 6.823 1.00 0.61 H new ATOM 0 HG2 LYS A 14 7.079 -12.395 6.430 1.00 0.86 H new ATOM 0 HG3 LYS A 14 7.632 -11.350 5.137 1.00 0.86 H new ATOM 0 HD2 LYS A 14 8.101 -9.553 6.758 1.00 1.21 H new ATOM 0 HD3 LYS A 14 7.490 -10.549 8.064 1.00 1.21 H new ATOM 0 HE2 LYS A 14 9.773 -11.408 6.250 1.00 1.26 H new ATOM 0 HE3 LYS A 14 10.023 -10.544 7.755 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 10.243 -12.817 8.239 1.00 1.79 H new ATOM 0 HZ2 LYS A 14 8.722 -12.379 8.852 1.00 1.79 H new ATOM 0 HZ3 LYS A 14 8.833 -13.236 7.391 1.00 1.79 H new ATOM 226 N ARG A 15 2.938 -11.569 4.336 1.00 0.45 N ATOM 227 CA ARG A 15 1.768 -10.965 3.706 1.00 0.44 C ATOM 228 C ARG A 15 2.012 -9.474 3.507 1.00 0.37 C ATOM 229 O ARG A 15 1.170 -8.647 3.845 1.00 0.52 O ATOM 230 CB ARG A 15 0.508 -11.176 4.553 1.00 0.56 C ATOM 231 CG ARG A 15 0.270 -12.617 4.966 1.00 0.66 C ATOM 232 CD ARG A 15 -0.920 -12.721 5.901 1.00 0.87 C ATOM 233 NE ARG A 15 -0.970 -14.008 6.587 1.00 1.83 N ATOM 234 CZ ARG A 15 -1.217 -14.141 7.888 1.00 2.36 C ATOM 235 NH1 ARG A 15 -1.433 -13.064 8.640 1.00 2.32 N ATOM 236 NH2 ARG A 15 -1.234 -15.349 8.440 1.00 3.42 N ATOM 0 H ARG A 15 3.392 -12.282 3.765 1.00 0.45 H new ATOM 0 HA ARG A 15 1.610 -11.447 2.741 1.00 0.44 H new ATOM 0 HB2 ARG A 15 0.579 -10.560 5.449 1.00 0.56 H new ATOM 0 HB3 ARG A 15 -0.357 -10.823 3.991 1.00 0.56 H new ATOM 0 HG2 ARG A 15 0.097 -13.230 4.081 1.00 0.66 H new ATOM 0 HG3 ARG A 15 1.160 -13.011 5.458 1.00 0.66 H new ATOM 0 HD2 ARG A 15 -0.872 -11.920 6.638 1.00 0.87 H new ATOM 0 HD3 ARG A 15 -1.840 -12.577 5.334 1.00 0.87 H new ATOM 0 HE ARG A 15 -0.807 -14.853 6.039 1.00 1.83 H new ATOM 0 HH11 ARG A 15 -1.409 -12.135 8.219 1.00 2.32 H new ATOM 0 HH12 ARG A 15 -1.622 -13.168 9.637 1.00 2.32 H new ATOM 0 HH21 ARG A 15 -1.058 -16.174 7.867 1.00 3.42 H new ATOM 0 HH22 ARG A 15 -1.423 -15.451 9.437 1.00 3.42 H new ATOM 250 N ARG A 16 3.169 -9.136 2.953 1.00 0.27 N ATOM 251 CA ARG A 16 3.553 -7.742 2.816 1.00 0.24 C ATOM 252 C ARG A 16 4.300 -7.505 1.507 1.00 0.23 C ATOM 253 O ARG A 16 4.718 -8.451 0.849 1.00 0.29 O ATOM 254 CB ARG A 16 4.429 -7.337 4.006 1.00 0.33 C ATOM 255 CG ARG A 16 5.868 -7.815 3.916 1.00 0.55 C ATOM 256 CD ARG A 16 6.669 -7.358 5.123 1.00 0.68 C ATOM 257 NE ARG A 16 8.102 -7.556 4.934 1.00 0.91 N ATOM 258 CZ ARG A 16 9.022 -7.299 5.860 1.00 1.02 C ATOM 259 NH1 ARG A 16 8.665 -6.957 7.091 1.00 1.02 N ATOM 260 NH2 ARG A 16 10.306 -7.423 5.553 1.00 1.86 N ATOM 0 H ARG A 16 3.851 -9.804 2.594 1.00 0.27 H new ATOM 0 HA ARG A 16 2.651 -7.131 2.801 1.00 0.24 H new ATOM 0 HB2 ARG A 16 4.424 -6.250 4.092 1.00 0.33 H new ATOM 0 HB3 ARG A 16 3.984 -7.731 4.920 1.00 0.33 H new ATOM 0 HG2 ARG A 16 5.890 -8.903 3.851 1.00 0.55 H new ATOM 0 HG3 ARG A 16 6.326 -7.431 3.004 1.00 0.55 H new ATOM 0 HD2 ARG A 16 6.470 -6.303 5.312 1.00 0.68 H new ATOM 0 HD3 ARG A 16 6.340 -7.907 6.005 1.00 0.68 H new ATOM 0 HE ARG A 16 8.419 -7.915 4.033 1.00 0.91 H new ATOM 0 HH11 ARG A 16 7.677 -6.889 7.335 1.00 1.02 H new ATOM 0 HH12 ARG A 16 9.379 -6.762 7.793 1.00 1.02 H new ATOM 0 HH21 ARG A 16 10.580 -7.713 4.614 1.00 1.86 H new ATOM 0 HH22 ARG A 16 11.019 -7.228 6.256 1.00 1.86 H new ATOM 274 N PHE A 17 4.457 -6.244 1.136 1.00 0.23 N ATOM 275 CA PHE A 17 5.234 -5.882 -0.041 1.00 0.24 C ATOM 276 C PHE A 17 6.453 -5.090 0.388 1.00 0.30 C ATOM 277 O PHE A 17 6.335 -4.147 1.164 1.00 0.55 O ATOM 278 CB PHE A 17 4.422 -5.041 -1.026 1.00 0.28 C ATOM 279 CG PHE A 17 3.154 -5.681 -1.491 1.00 0.29 C ATOM 280 CD1 PHE A 17 3.188 -6.811 -2.289 1.00 0.33 C ATOM 281 CD2 PHE A 17 1.927 -5.160 -1.123 1.00 0.34 C ATOM 282 CE1 PHE A 17 2.018 -7.406 -2.713 1.00 0.39 C ATOM 283 CE2 PHE A 17 0.753 -5.752 -1.544 1.00 0.40 C ATOM 284 CZ PHE A 17 0.801 -6.862 -2.366 1.00 0.41 C ATOM 0 H PHE A 17 4.055 -5.450 1.635 1.00 0.23 H new ATOM 0 HA PHE A 17 5.526 -6.805 -0.542 1.00 0.24 H new ATOM 0 HB2 PHE A 17 4.182 -4.087 -0.557 1.00 0.28 H new ATOM 0 HB3 PHE A 17 5.043 -4.822 -1.895 1.00 0.28 H new ATOM 0 HD1 PHE A 17 4.139 -7.231 -2.582 1.00 0.33 H new ATOM 0 HD2 PHE A 17 1.887 -4.280 -0.499 1.00 0.34 H new ATOM 0 HE1 PHE A 17 2.056 -8.300 -3.318 1.00 0.39 H new ATOM 0 HE2 PHE A 17 -0.199 -5.349 -1.232 1.00 0.40 H new ATOM 0 HZ PHE A 17 -0.114 -7.302 -2.735 1.00 0.41 H new ATOM 294 N GLU A 18 7.610 -5.471 -0.110 1.00 0.22 N ATOM 295 CA GLU A 18 8.850 -4.803 0.244 1.00 0.25 C ATOM 296 C GLU A 18 9.499 -4.211 -0.989 1.00 0.29 C ATOM 297 O GLU A 18 9.409 -4.777 -2.068 1.00 0.39 O ATOM 298 CB GLU A 18 9.812 -5.783 0.920 1.00 0.34 C ATOM 299 CG GLU A 18 9.239 -7.179 1.090 1.00 1.08 C ATOM 300 CD GLU A 18 10.108 -8.071 1.948 1.00 0.96 C ATOM 301 OE1 GLU A 18 11.270 -8.315 1.571 1.00 0.85 O ATOM 302 OE2 GLU A 18 9.637 -8.523 3.011 1.00 1.16 O ATOM 0 H GLU A 18 7.721 -6.245 -0.766 1.00 0.22 H new ATOM 0 HA GLU A 18 8.619 -3.999 0.943 1.00 0.25 H new ATOM 0 HB2 GLU A 18 10.727 -5.844 0.332 1.00 0.34 H new ATOM 0 HB3 GLU A 18 10.088 -5.391 1.899 1.00 0.34 H new ATOM 0 HG2 GLU A 18 8.247 -7.107 1.537 1.00 1.08 H new ATOM 0 HG3 GLU A 18 9.114 -7.637 0.109 1.00 1.08 H new ATOM 309 N THR A 19 10.144 -3.073 -0.831 1.00 0.25 N ATOM 310 CA THR A 19 10.863 -2.457 -1.926 1.00 0.29 C ATOM 311 C THR A 19 12.088 -3.314 -2.252 1.00 0.35 C ATOM 312 O THR A 19 12.411 -4.244 -1.508 1.00 0.37 O ATOM 313 CB THR A 19 11.273 -1.013 -1.531 1.00 0.33 C ATOM 314 OG1 THR A 19 12.071 -0.386 -2.543 1.00 0.46 O ATOM 315 CG2 THR A 19 12.038 -1.015 -0.225 1.00 0.37 C ATOM 0 H THR A 19 10.185 -2.556 0.047 1.00 0.25 H new ATOM 0 HA THR A 19 10.232 -2.396 -2.813 1.00 0.29 H new ATOM 0 HB THR A 19 10.351 -0.442 -1.418 1.00 0.33 H new ATOM 0 HG1 THR A 19 11.725 -0.626 -3.428 1.00 0.46 H new ATOM 0 HG21 THR A 19 12.317 0.006 0.035 1.00 0.37 H new ATOM 0 HG22 THR A 19 11.411 -1.432 0.563 1.00 0.37 H new ATOM 0 HG23 THR A 19 12.938 -1.621 -0.331 1.00 0.37 H new ATOM 323 N GLU A 20 12.775 -3.002 -3.344 1.00 0.43 N ATOM 324 CA GLU A 20 14.026 -3.673 -3.699 1.00 0.53 C ATOM 325 C GLU A 20 15.084 -3.412 -2.637 1.00 0.56 C ATOM 326 O GLU A 20 16.194 -3.947 -2.672 1.00 0.68 O ATOM 327 CB GLU A 20 14.504 -3.179 -5.062 1.00 0.62 C ATOM 328 CG GLU A 20 14.701 -1.671 -5.140 1.00 0.77 C ATOM 329 CD GLU A 20 13.487 -0.959 -5.704 1.00 1.31 C ATOM 330 OE1 GLU A 20 12.427 -0.971 -5.048 1.00 1.90 O ATOM 331 OE2 GLU A 20 13.593 -0.376 -6.805 1.00 1.83 O ATOM 0 H GLU A 20 12.486 -2.282 -4.006 1.00 0.43 H new ATOM 0 HA GLU A 20 13.853 -4.748 -3.753 1.00 0.53 H new ATOM 0 HB2 GLU A 20 15.446 -3.671 -5.306 1.00 0.62 H new ATOM 0 HB3 GLU A 20 13.781 -3.480 -5.820 1.00 0.62 H new ATOM 0 HG2 GLU A 20 14.916 -1.283 -4.144 1.00 0.77 H new ATOM 0 HG3 GLU A 20 15.569 -1.452 -5.762 1.00 0.77 H new ATOM 338 N ASP A 21 14.693 -2.596 -1.690 1.00 0.52 N ATOM 339 CA ASP A 21 15.524 -2.189 -0.589 1.00 0.60 C ATOM 340 C ASP A 21 15.216 -3.036 0.648 1.00 0.54 C ATOM 341 O ASP A 21 16.066 -3.221 1.516 1.00 0.59 O ATOM 342 CB ASP A 21 15.238 -0.709 -0.361 1.00 0.67 C ATOM 343 CG ASP A 21 15.763 -0.152 0.936 1.00 0.97 C ATOM 344 OD1 ASP A 21 16.990 -0.145 1.137 1.00 1.39 O ATOM 345 OD2 ASP A 21 14.936 0.344 1.729 1.00 1.31 O ATOM 0 H ASP A 21 13.760 -2.186 -1.665 1.00 0.52 H new ATOM 0 HA ASP A 21 16.583 -2.336 -0.800 1.00 0.60 H new ATOM 0 HB2 ASP A 21 15.669 -0.140 -1.185 1.00 0.67 H new ATOM 0 HB3 ASP A 21 14.160 -0.553 -0.396 1.00 0.67 H new ATOM 350 N HIS A 22 13.987 -3.562 0.694 1.00 0.45 N ATOM 351 CA HIS A 22 13.524 -4.482 1.748 1.00 0.45 C ATOM 352 C HIS A 22 13.413 -3.823 3.125 1.00 0.44 C ATOM 353 O HIS A 22 12.795 -4.385 4.029 1.00 0.51 O ATOM 354 CB HIS A 22 14.408 -5.734 1.826 1.00 0.57 C ATOM 355 CG HIS A 22 14.364 -6.574 0.585 1.00 0.64 C ATOM 356 ND1 HIS A 22 13.427 -7.560 0.370 1.00 0.65 N ATOM 357 CD2 HIS A 22 15.151 -6.566 -0.517 1.00 0.74 C ATOM 358 CE1 HIS A 22 13.639 -8.119 -0.804 1.00 0.76 C ATOM 359 NE2 HIS A 22 14.679 -7.532 -1.364 1.00 0.82 N ATOM 0 H HIS A 22 13.274 -3.360 -0.007 1.00 0.45 H new ATOM 0 HA HIS A 22 12.516 -4.777 1.458 1.00 0.45 H new ATOM 0 HB2 HIS A 22 15.438 -5.431 2.014 1.00 0.57 H new ATOM 0 HB3 HIS A 22 14.093 -6.339 2.676 1.00 0.57 H new ATOM 0 HD1 HIS A 22 12.684 -7.818 1.019 1.00 0.65 H new ATOM 0 HD2 HIS A 22 15.996 -5.917 -0.695 1.00 0.74 H new ATOM 0 HE1 HIS A 22 13.059 -8.922 -1.235 1.00 0.76 H new ATOM 368 N GLU A 23 13.997 -2.644 3.295 1.00 0.47 N ATOM 369 CA GLU A 23 13.872 -1.922 4.551 1.00 0.52 C ATOM 370 C GLU A 23 12.545 -1.176 4.576 1.00 0.40 C ATOM 371 O GLU A 23 11.951 -0.961 5.632 1.00 0.49 O ATOM 372 CB GLU A 23 15.044 -0.959 4.747 1.00 0.69 C ATOM 373 CG GLU A 23 16.408 -1.614 4.564 1.00 0.84 C ATOM 374 CD GLU A 23 17.521 -0.853 5.257 1.00 1.51 C ATOM 375 OE1 GLU A 23 17.773 -1.103 6.451 1.00 1.72 O ATOM 376 OE2 GLU A 23 18.148 0.014 4.608 1.00 2.28 O ATOM 0 H GLU A 23 14.557 -2.172 2.585 1.00 0.47 H new ATOM 0 HA GLU A 23 13.894 -2.636 5.375 1.00 0.52 H new ATOM 0 HB2 GLU A 23 14.948 -0.135 4.040 1.00 0.69 H new ATOM 0 HB3 GLU A 23 14.987 -0.530 5.747 1.00 0.69 H new ATOM 0 HG2 GLU A 23 16.373 -2.632 4.953 1.00 0.84 H new ATOM 0 HG3 GLU A 23 16.631 -1.687 3.500 1.00 0.84 H new ATOM 383 N ALA A 24 12.088 -0.782 3.393 1.00 0.29 N ATOM 384 CA ALA A 24 10.757 -0.219 3.238 1.00 0.22 C ATOM 385 C ALA A 24 9.782 -1.310 2.840 1.00 0.17 C ATOM 386 O ALA A 24 10.078 -2.126 1.962 1.00 0.19 O ATOM 387 CB ALA A 24 10.743 0.888 2.198 1.00 0.26 C ATOM 0 H ALA A 24 12.623 -0.843 2.527 1.00 0.29 H new ATOM 0 HA ALA A 24 10.457 0.211 4.194 1.00 0.22 H new ATOM 0 HB1 ALA A 24 9.733 1.288 2.106 1.00 0.26 H new ATOM 0 HB2 ALA A 24 11.422 1.684 2.504 1.00 0.26 H new ATOM 0 HB3 ALA A 24 11.064 0.488 1.236 1.00 0.26 H new ATOM 393 N PHE A 25 8.626 -1.320 3.472 1.00 0.14 N ATOM 394 CA PHE A 25 7.628 -2.336 3.205 1.00 0.15 C ATOM 395 C PHE A 25 6.255 -1.887 3.665 1.00 0.15 C ATOM 396 O PHE A 25 6.120 -0.966 4.474 1.00 0.17 O ATOM 397 CB PHE A 25 7.987 -3.656 3.897 1.00 0.23 C ATOM 398 CG PHE A 25 8.082 -3.561 5.397 1.00 0.30 C ATOM 399 CD1 PHE A 25 9.272 -3.202 6.007 1.00 0.37 C ATOM 400 CD2 PHE A 25 6.980 -3.829 6.195 1.00 0.39 C ATOM 401 CE1 PHE A 25 9.363 -3.114 7.383 1.00 0.47 C ATOM 402 CE2 PHE A 25 7.066 -3.742 7.570 1.00 0.49 C ATOM 403 CZ PHE A 25 8.259 -3.383 8.164 1.00 0.52 C ATOM 0 H PHE A 25 8.354 -0.634 4.176 1.00 0.14 H new ATOM 0 HA PHE A 25 7.608 -2.493 2.126 1.00 0.15 H new ATOM 0 HB2 PHE A 25 7.238 -4.404 3.638 1.00 0.23 H new ATOM 0 HB3 PHE A 25 8.940 -4.011 3.506 1.00 0.23 H new ATOM 0 HD1 PHE A 25 10.139 -2.988 5.400 1.00 0.37 H new ATOM 0 HD2 PHE A 25 6.044 -4.109 5.735 1.00 0.39 H new ATOM 0 HE1 PHE A 25 10.298 -2.835 7.846 1.00 0.47 H new ATOM 0 HE2 PHE A 25 6.201 -3.955 8.180 1.00 0.49 H new ATOM 0 HZ PHE A 25 8.328 -3.313 9.240 1.00 0.52 H new ATOM 413 N ILE A 26 5.247 -2.543 3.128 1.00 0.20 N ATOM 414 CA ILE A 26 3.888 -2.375 3.579 1.00 0.23 C ATOM 415 C ILE A 26 3.308 -3.739 3.886 1.00 0.23 C ATOM 416 O ILE A 26 3.478 -4.677 3.107 1.00 0.26 O ATOM 417 CB ILE A 26 3.020 -1.634 2.530 1.00 0.31 C ATOM 418 CG1 ILE A 26 2.573 -0.299 3.102 1.00 0.41 C ATOM 419 CG2 ILE A 26 1.808 -2.456 2.086 1.00 0.39 C ATOM 420 CD1 ILE A 26 1.559 0.419 2.243 1.00 0.73 C ATOM 0 H ILE A 26 5.352 -3.210 2.363 1.00 0.20 H new ATOM 0 HA ILE A 26 3.889 -1.758 4.478 1.00 0.23 H new ATOM 0 HB ILE A 26 3.632 -1.475 1.642 1.00 0.31 H new ATOM 0 HG12 ILE A 26 2.147 -0.462 4.092 1.00 0.41 H new ATOM 0 HG13 ILE A 26 3.445 0.342 3.231 1.00 0.41 H new ATOM 0 HG21 ILE A 26 1.234 -1.891 1.351 1.00 0.39 H new ATOM 0 HG22 ILE A 26 2.146 -3.392 1.641 1.00 0.39 H new ATOM 0 HG23 ILE A 26 1.179 -2.672 2.949 1.00 0.39 H new ATOM 0 HD11 ILE A 26 1.287 1.363 2.714 1.00 0.73 H new ATOM 0 HD12 ILE A 26 1.988 0.614 1.260 1.00 0.73 H new ATOM 0 HD13 ILE A 26 0.670 -0.202 2.134 1.00 0.73 H new ATOM 432 N GLU A 27 2.662 -3.864 5.024 1.00 0.22 N ATOM 433 CA GLU A 27 2.061 -5.127 5.401 1.00 0.23 C ATOM 434 C GLU A 27 0.578 -5.078 5.071 1.00 0.22 C ATOM 435 O GLU A 27 0.051 -4.009 4.759 1.00 0.27 O ATOM 436 CB GLU A 27 2.299 -5.401 6.890 1.00 0.26 C ATOM 437 CG GLU A 27 2.016 -6.834 7.303 1.00 0.65 C ATOM 438 CD GLU A 27 2.361 -7.097 8.750 1.00 1.14 C ATOM 439 OE1 GLU A 27 3.563 -7.171 9.075 1.00 1.23 O ATOM 440 OE2 GLU A 27 1.430 -7.246 9.571 1.00 1.65 O ATOM 0 H GLU A 27 2.539 -3.112 5.702 1.00 0.22 H new ATOM 0 HA GLU A 27 2.518 -5.945 4.844 1.00 0.23 H new ATOM 0 HB2 GLU A 27 3.334 -5.161 7.133 1.00 0.26 H new ATOM 0 HB3 GLU A 27 1.670 -4.733 7.478 1.00 0.26 H new ATOM 0 HG2 GLU A 27 0.961 -7.055 7.138 1.00 0.65 H new ATOM 0 HG3 GLU A 27 2.587 -7.511 6.668 1.00 0.65 H new ATOM 447 N TYR A 28 -0.097 -6.213 5.109 1.00 0.23 N ATOM 448 CA TYR A 28 -1.518 -6.236 4.853 1.00 0.22 C ATOM 449 C TYR A 28 -2.109 -7.575 5.263 1.00 0.28 C ATOM 450 O TYR A 28 -1.386 -8.544 5.492 1.00 0.45 O ATOM 451 CB TYR A 28 -1.820 -5.915 3.374 1.00 0.29 C ATOM 452 CG TYR A 28 -1.570 -7.042 2.395 1.00 0.35 C ATOM 453 CD1 TYR A 28 -2.508 -8.046 2.211 1.00 0.44 C ATOM 454 CD2 TYR A 28 -0.380 -7.118 1.680 1.00 0.40 C ATOM 455 CE1 TYR A 28 -2.270 -9.093 1.342 1.00 0.56 C ATOM 456 CE2 TYR A 28 -0.138 -8.157 0.806 1.00 0.50 C ATOM 457 CZ TYR A 28 -1.138 -9.073 0.549 1.00 0.60 C ATOM 458 OH TYR A 28 -0.838 -10.190 -0.214 1.00 0.70 O ATOM 0 H TYR A 28 0.316 -7.123 5.314 1.00 0.23 H new ATOM 0 HA TYR A 28 -1.990 -5.460 5.457 1.00 0.22 H new ATOM 0 HB2 TYR A 28 -2.864 -5.612 3.293 1.00 0.29 H new ATOM 0 HB3 TYR A 28 -1.215 -5.058 3.076 1.00 0.29 H new ATOM 0 HD1 TYR A 28 -3.440 -8.009 2.756 1.00 0.44 H new ATOM 0 HD2 TYR A 28 0.368 -6.350 1.811 1.00 0.40 H new ATOM 0 HE1 TYR A 28 -2.962 -9.920 1.283 1.00 0.56 H new ATOM 0 HE2 TYR A 28 0.825 -8.253 0.327 1.00 0.50 H new ATOM 0 HH TYR A 28 0.134 -10.272 -0.306 1.00 0.70 H new ATOM 468 N LYS A 29 -3.424 -7.613 5.379 1.00 0.24 N ATOM 469 CA LYS A 29 -4.128 -8.819 5.776 1.00 0.32 C ATOM 470 C LYS A 29 -5.506 -8.851 5.139 1.00 0.25 C ATOM 471 O LYS A 29 -6.226 -7.854 5.140 1.00 0.31 O ATOM 472 CB LYS A 29 -4.237 -8.931 7.313 1.00 0.49 C ATOM 473 CG LYS A 29 -4.776 -7.691 8.031 1.00 0.58 C ATOM 474 CD LYS A 29 -3.754 -6.559 8.046 1.00 0.74 C ATOM 475 CE LYS A 29 -3.537 -5.996 9.437 1.00 1.09 C ATOM 476 NZ LYS A 29 -4.687 -5.180 9.908 1.00 1.52 N ATOM 0 H LYS A 29 -4.032 -6.813 5.202 1.00 0.24 H new ATOM 0 HA LYS A 29 -3.554 -9.677 5.425 1.00 0.32 H new ATOM 0 HB2 LYS A 29 -4.882 -9.776 7.553 1.00 0.49 H new ATOM 0 HB3 LYS A 29 -3.249 -9.160 7.713 1.00 0.49 H new ATOM 0 HG2 LYS A 29 -5.687 -7.352 7.538 1.00 0.58 H new ATOM 0 HG3 LYS A 29 -5.046 -7.952 9.055 1.00 0.58 H new ATOM 0 HD2 LYS A 29 -2.805 -6.924 7.653 1.00 0.74 H new ATOM 0 HD3 LYS A 29 -4.089 -5.762 7.382 1.00 0.74 H new ATOM 0 HE2 LYS A 29 -3.368 -6.816 10.135 1.00 1.09 H new ATOM 0 HE3 LYS A 29 -2.636 -5.383 9.441 1.00 1.09 H new ATOM 0 HZ1 LYS A 29 -4.550 -4.932 10.909 1.00 1.52 H new ATOM 0 HZ2 LYS A 29 -4.751 -4.310 9.341 1.00 1.52 H new ATOM 0 HZ3 LYS A 29 -5.566 -5.726 9.804 1.00 1.52 H new ATOM 490 N MET A 30 -5.857 -9.991 4.565 1.00 0.32 N ATOM 491 CA MET A 30 -7.150 -10.151 3.927 1.00 0.27 C ATOM 492 C MET A 30 -8.212 -10.398 4.995 1.00 0.30 C ATOM 493 O MET A 30 -8.318 -11.492 5.548 1.00 0.39 O ATOM 494 CB MET A 30 -7.109 -11.310 2.924 1.00 0.36 C ATOM 495 CG MET A 30 -6.018 -11.173 1.871 1.00 1.00 C ATOM 496 SD MET A 30 -5.894 -12.617 0.792 1.00 1.12 S ATOM 497 CE MET A 30 -7.507 -12.604 0.012 1.00 1.85 C ATOM 0 H MET A 30 -5.262 -10.819 4.529 1.00 0.32 H new ATOM 0 HA MET A 30 -7.400 -9.242 3.380 1.00 0.27 H new ATOM 0 HB2 MET A 30 -6.961 -12.243 3.467 1.00 0.36 H new ATOM 0 HB3 MET A 30 -8.076 -11.381 2.425 1.00 0.36 H new ATOM 0 HG2 MET A 30 -6.215 -10.289 1.265 1.00 1.00 H new ATOM 0 HG3 MET A 30 -5.060 -11.013 2.366 1.00 1.00 H new ATOM 0 HE1 MET A 30 -7.475 -13.200 -0.900 1.00 1.85 H new ATOM 0 HE2 MET A 30 -8.245 -13.025 0.695 1.00 1.85 H new ATOM 0 HE3 MET A 30 -7.784 -11.579 -0.235 1.00 1.85 H new ATOM 507 N ARG A 31 -8.971 -9.359 5.286 1.00 0.29 N ATOM 508 CA ARG A 31 -9.968 -9.377 6.342 1.00 0.39 C ATOM 509 C ARG A 31 -11.281 -9.907 5.806 1.00 0.42 C ATOM 510 O ARG A 31 -11.442 -10.050 4.588 1.00 0.38 O ATOM 511 CB ARG A 31 -10.179 -7.963 6.885 1.00 0.46 C ATOM 512 CG ARG A 31 -8.962 -7.388 7.586 1.00 0.67 C ATOM 513 CD ARG A 31 -9.141 -5.911 7.912 1.00 0.66 C ATOM 514 NE ARG A 31 -10.204 -5.669 8.885 1.00 0.98 N ATOM 515 CZ ARG A 31 -10.372 -4.512 9.531 1.00 1.28 C ATOM 516 NH1 ARG A 31 -9.568 -3.478 9.290 1.00 1.41 N ATOM 517 NH2 ARG A 31 -11.350 -4.390 10.418 1.00 2.03 N ATOM 0 H ARG A 31 -8.913 -8.469 4.791 1.00 0.29 H new ATOM 0 HA ARG A 31 -9.616 -10.025 7.144 1.00 0.39 H new ATOM 0 HB2 ARG A 31 -10.457 -7.305 6.061 1.00 0.46 H new ATOM 0 HB3 ARG A 31 -11.017 -7.973 7.582 1.00 0.46 H new ATOM 0 HG2 ARG A 31 -8.776 -7.943 8.506 1.00 0.67 H new ATOM 0 HG3 ARG A 31 -8.084 -7.517 6.953 1.00 0.67 H new ATOM 0 HD2 ARG A 31 -8.203 -5.513 8.299 1.00 0.66 H new ATOM 0 HD3 ARG A 31 -9.364 -5.366 6.995 1.00 0.66 H new ATOM 0 HE ARG A 31 -10.856 -6.428 9.082 1.00 0.98 H new ATOM 0 HH11 ARG A 31 -8.816 -3.565 8.607 1.00 1.41 H new ATOM 0 HH12 ARG A 31 -9.705 -2.599 9.789 1.00 1.41 H new ATOM 0 HH21 ARG A 31 -11.970 -5.178 10.605 1.00 2.03 H new ATOM 0 HH22 ARG A 31 -11.482 -3.508 10.914 1.00 2.03 H new ATOM 531 N ASN A 32 -12.218 -10.178 6.712 1.00 0.55 N ATOM 532 CA ASN A 32 -13.528 -10.688 6.337 1.00 0.64 C ATOM 533 C ASN A 32 -13.353 -12.006 5.586 1.00 0.65 C ATOM 534 O ASN A 32 -13.930 -12.218 4.519 1.00 0.66 O ATOM 535 CB ASN A 32 -14.260 -9.639 5.484 1.00 0.64 C ATOM 536 CG ASN A 32 -15.766 -9.843 5.429 1.00 0.77 C ATOM 537 OD1 ASN A 32 -16.267 -10.966 5.440 1.00 1.15 O ATOM 538 ND2 ASN A 32 -16.506 -8.745 5.378 1.00 0.99 N ATOM 0 H ASN A 32 -12.090 -10.051 7.716 1.00 0.55 H new ATOM 0 HA ASN A 32 -14.133 -10.879 7.223 1.00 0.64 H new ATOM 0 HB2 ASN A 32 -14.050 -8.647 5.884 1.00 0.64 H new ATOM 0 HB3 ASN A 32 -13.861 -9.665 4.470 1.00 0.64 H new ATOM 0 HD21 ASN A 32 -17.523 -8.816 5.346 1.00 0.99 H new ATOM 0 HD22 ASN A 32 -16.059 -7.828 5.370 1.00 0.99 H new ATOM 545 N ASN A 33 -12.487 -12.858 6.148 1.00 0.73 N ATOM 546 CA ASN A 33 -12.157 -14.175 5.585 1.00 0.83 C ATOM 547 C ASN A 33 -11.224 -14.049 4.376 1.00 0.78 C ATOM 548 O ASN A 33 -10.568 -15.013 3.977 1.00 1.04 O ATOM 549 CB ASN A 33 -13.424 -14.966 5.221 1.00 0.95 C ATOM 550 CG ASN A 33 -13.118 -16.330 4.626 1.00 1.62 C ATOM 551 OD1 ASN A 33 -12.896 -17.301 5.351 1.00 1.82 O ATOM 552 ND2 ASN A 33 -13.122 -16.419 3.302 1.00 2.33 N ATOM 0 H ASN A 33 -11.990 -12.652 7.015 1.00 0.73 H new ATOM 0 HA ASN A 33 -11.628 -14.733 6.358 1.00 0.83 H new ATOM 0 HB2 ASN A 33 -14.036 -15.094 6.114 1.00 0.95 H new ATOM 0 HB3 ASN A 33 -14.015 -14.389 4.510 1.00 0.95 H new ATOM 0 HD21 ASN A 33 -12.937 -17.315 2.851 1.00 2.33 H new ATOM 0 HD22 ASN A 33 -13.310 -15.592 2.736 1.00 2.33 H new ATOM 559 N GLY A 34 -11.134 -12.852 3.822 1.00 0.55 N ATOM 560 CA GLY A 34 -10.304 -12.638 2.658 1.00 0.52 C ATOM 561 C GLY A 34 -11.019 -11.855 1.578 1.00 0.48 C ATOM 562 O GLY A 34 -10.746 -12.027 0.391 1.00 0.62 O ATOM 0 H GLY A 34 -11.622 -12.022 4.159 1.00 0.55 H new ATOM 0 HA2 GLY A 34 -9.400 -12.105 2.952 1.00 0.52 H new ATOM 0 HA3 GLY A 34 -9.989 -13.601 2.257 1.00 0.52 H new ATOM 566 N LYS A 35 -11.938 -10.999 1.994 1.00 0.40 N ATOM 567 CA LYS A 35 -12.691 -10.165 1.067 1.00 0.40 C ATOM 568 C LYS A 35 -12.075 -8.781 0.972 1.00 0.28 C ATOM 569 O LYS A 35 -12.183 -8.105 -0.052 1.00 0.28 O ATOM 570 CB LYS A 35 -14.144 -10.047 1.527 1.00 0.52 C ATOM 571 CG LYS A 35 -14.901 -11.361 1.486 1.00 0.67 C ATOM 572 CD LYS A 35 -15.075 -11.842 0.058 1.00 0.85 C ATOM 573 CE LYS A 35 -15.806 -13.171 0.000 1.00 1.14 C ATOM 574 NZ LYS A 35 -16.114 -13.570 -1.399 1.00 1.60 N ATOM 0 H LYS A 35 -12.183 -10.862 2.975 1.00 0.40 H new ATOM 0 HA LYS A 35 -12.660 -10.633 0.083 1.00 0.40 H new ATOM 0 HB2 LYS A 35 -14.164 -9.657 2.545 1.00 0.52 H new ATOM 0 HB3 LYS A 35 -14.658 -9.321 0.897 1.00 0.52 H new ATOM 0 HG2 LYS A 35 -14.364 -12.113 2.064 1.00 0.67 H new ATOM 0 HG3 LYS A 35 -15.878 -11.237 1.954 1.00 0.67 H new ATOM 0 HD2 LYS A 35 -15.629 -11.096 -0.512 1.00 0.85 H new ATOM 0 HD3 LYS A 35 -14.098 -11.943 -0.414 1.00 0.85 H new ATOM 0 HE2 LYS A 35 -15.197 -13.942 0.472 1.00 1.14 H new ATOM 0 HE3 LYS A 35 -16.732 -13.102 0.571 1.00 1.14 H new ATOM 0 HZ1 LYS A 35 -16.613 -14.482 -1.398 1.00 1.60 H new ATOM 0 HZ2 LYS A 35 -16.716 -12.847 -1.842 1.00 1.60 H new ATOM 0 HZ3 LYS A 35 -15.229 -13.661 -1.937 1.00 1.60 H new ATOM 588 N VAL A 36 -11.428 -8.360 2.046 1.00 0.25 N ATOM 589 CA VAL A 36 -10.866 -7.023 2.109 1.00 0.19 C ATOM 590 C VAL A 36 -9.390 -7.062 2.476 1.00 0.16 C ATOM 591 O VAL A 36 -9.018 -7.590 3.505 1.00 0.22 O ATOM 592 CB VAL A 36 -11.625 -6.160 3.139 1.00 0.24 C ATOM 593 CG1 VAL A 36 -10.960 -4.804 3.307 1.00 0.31 C ATOM 594 CG2 VAL A 36 -13.079 -5.989 2.731 1.00 0.30 C ATOM 0 H VAL A 36 -11.280 -8.923 2.883 1.00 0.25 H new ATOM 0 HA VAL A 36 -10.970 -6.580 1.119 1.00 0.19 H new ATOM 0 HB VAL A 36 -11.593 -6.678 4.098 1.00 0.24 H new ATOM 0 HG11 VAL A 36 -11.514 -4.215 4.038 1.00 0.31 H new ATOM 0 HG12 VAL A 36 -9.936 -4.942 3.653 1.00 0.31 H new ATOM 0 HG13 VAL A 36 -10.953 -4.281 2.351 1.00 0.31 H new ATOM 0 HG21 VAL A 36 -13.595 -5.377 3.471 1.00 0.30 H new ATOM 0 HG22 VAL A 36 -13.129 -5.500 1.758 1.00 0.30 H new ATOM 0 HG23 VAL A 36 -13.557 -6.967 2.671 1.00 0.30 H new ATOM 604 N MET A 37 -8.555 -6.485 1.639 1.00 0.15 N ATOM 605 CA MET A 37 -7.139 -6.390 1.933 1.00 0.18 C ATOM 606 C MET A 37 -6.863 -5.161 2.772 1.00 0.16 C ATOM 607 O MET A 37 -7.002 -4.031 2.312 1.00 0.17 O ATOM 608 CB MET A 37 -6.312 -6.352 0.646 1.00 0.24 C ATOM 609 CG MET A 37 -6.104 -7.715 0.008 1.00 0.51 C ATOM 610 SD MET A 37 -5.193 -7.628 -1.549 1.00 1.03 S ATOM 611 CE MET A 37 -3.735 -6.711 -1.057 1.00 1.66 C ATOM 0 H MET A 37 -8.832 -6.074 0.748 1.00 0.15 H new ATOM 0 HA MET A 37 -6.847 -7.277 2.496 1.00 0.18 H new ATOM 0 HB2 MET A 37 -6.805 -5.697 -0.072 1.00 0.24 H new ATOM 0 HB3 MET A 37 -5.339 -5.911 0.864 1.00 0.24 H new ATOM 0 HG2 MET A 37 -5.565 -8.358 0.704 1.00 0.51 H new ATOM 0 HG3 MET A 37 -7.074 -8.180 -0.169 1.00 0.51 H new ATOM 0 HE1 MET A 37 -2.860 -7.123 -1.559 1.00 1.66 H new ATOM 0 HE2 MET A 37 -3.853 -5.663 -1.334 1.00 1.66 H new ATOM 0 HE3 MET A 37 -3.604 -6.788 0.022 1.00 1.66 H new ATOM 621 N ASP A 38 -6.496 -5.396 4.010 1.00 0.17 N ATOM 622 CA ASP A 38 -6.181 -4.320 4.924 1.00 0.18 C ATOM 623 C ASP A 38 -4.733 -3.933 4.760 1.00 0.18 C ATOM 624 O ASP A 38 -3.843 -4.654 5.194 1.00 0.20 O ATOM 625 CB ASP A 38 -6.449 -4.785 6.353 1.00 0.24 C ATOM 626 CG ASP A 38 -6.346 -3.683 7.390 1.00 0.32 C ATOM 627 OD1 ASP A 38 -5.240 -3.462 7.925 1.00 0.97 O ATOM 628 OD2 ASP A 38 -7.382 -3.072 7.716 1.00 0.81 O ATOM 0 H ASP A 38 -6.407 -6.330 4.411 1.00 0.17 H new ATOM 0 HA ASP A 38 -6.803 -3.451 4.709 1.00 0.18 H new ATOM 0 HB2 ASP A 38 -7.446 -5.223 6.401 1.00 0.24 H new ATOM 0 HB3 ASP A 38 -5.742 -5.575 6.606 1.00 0.24 H new ATOM 633 N LEU A 39 -4.511 -2.798 4.125 1.00 0.18 N ATOM 634 CA LEU A 39 -3.169 -2.309 3.867 1.00 0.19 C ATOM 635 C LEU A 39 -2.657 -1.624 5.109 1.00 0.20 C ATOM 636 O LEU A 39 -3.031 -0.489 5.396 1.00 0.28 O ATOM 637 CB LEU A 39 -3.162 -1.343 2.674 1.00 0.20 C ATOM 638 CG LEU A 39 -3.178 -1.991 1.288 1.00 0.19 C ATOM 639 CD1 LEU A 39 -4.171 -3.137 1.202 1.00 0.18 C ATOM 640 CD2 LEU A 39 -3.491 -0.941 0.233 1.00 0.22 C ATOM 0 H LEU A 39 -5.252 -2.191 3.775 1.00 0.18 H new ATOM 0 HA LEU A 39 -2.518 -3.146 3.616 1.00 0.19 H new ATOM 0 HB2 LEU A 39 -4.029 -0.688 2.757 1.00 0.20 H new ATOM 0 HB3 LEU A 39 -2.277 -0.711 2.748 1.00 0.20 H new ATOM 0 HG LEU A 39 -2.188 -2.410 1.107 1.00 0.19 H new ATOM 0 HD11 LEU A 39 -4.146 -3.565 0.200 1.00 0.18 H new ATOM 0 HD12 LEU A 39 -3.906 -3.903 1.931 1.00 0.18 H new ATOM 0 HD13 LEU A 39 -5.174 -2.766 1.414 1.00 0.18 H new ATOM 0 HD21 LEU A 39 -3.501 -1.407 -0.752 1.00 0.22 H new ATOM 0 HD22 LEU A 39 -4.467 -0.501 0.436 1.00 0.22 H new ATOM 0 HD23 LEU A 39 -2.729 -0.162 0.258 1.00 0.22 H new ATOM 652 N VAL A 40 -1.821 -2.316 5.850 1.00 0.17 N ATOM 653 CA VAL A 40 -1.439 -1.865 7.164 1.00 0.20 C ATOM 654 C VAL A 40 0.051 -1.558 7.239 1.00 0.18 C ATOM 655 O VAL A 40 0.887 -2.346 6.802 1.00 0.23 O ATOM 656 CB VAL A 40 -1.818 -2.914 8.234 1.00 0.29 C ATOM 657 CG1 VAL A 40 -1.030 -4.203 8.060 1.00 0.84 C ATOM 658 CG2 VAL A 40 -1.630 -2.356 9.633 1.00 0.88 C ATOM 0 H VAL A 40 -1.393 -3.196 5.562 1.00 0.17 H new ATOM 0 HA VAL A 40 -1.985 -0.943 7.363 1.00 0.20 H new ATOM 0 HB VAL A 40 -2.873 -3.150 8.097 1.00 0.29 H new ATOM 0 HG11 VAL A 40 -1.324 -4.916 8.830 1.00 0.84 H new ATOM 0 HG12 VAL A 40 -1.236 -4.626 7.077 1.00 0.84 H new ATOM 0 HG13 VAL A 40 0.036 -3.993 8.148 1.00 0.84 H new ATOM 0 HG21 VAL A 40 -1.904 -3.114 10.367 1.00 0.88 H new ATOM 0 HG22 VAL A 40 -0.587 -2.073 9.775 1.00 0.88 H new ATOM 0 HG23 VAL A 40 -2.264 -1.479 9.763 1.00 0.88 H new ATOM 668 N HIS A 41 0.363 -0.379 7.749 1.00 0.16 N ATOM 669 CA HIS A 41 1.728 -0.018 8.103 1.00 0.17 C ATOM 670 C HIS A 41 2.602 0.203 6.876 1.00 0.14 C ATOM 671 O HIS A 41 3.187 -0.731 6.333 1.00 0.17 O ATOM 672 CB HIS A 41 2.352 -1.092 9.007 1.00 0.22 C ATOM 673 CG HIS A 41 3.600 -0.656 9.712 1.00 0.42 C ATOM 674 ND1 HIS A 41 3.673 -0.507 11.078 1.00 0.98 N ATOM 675 CD2 HIS A 41 4.834 -0.360 9.240 1.00 0.56 C ATOM 676 CE1 HIS A 41 4.891 -0.142 11.416 1.00 1.03 C ATOM 677 NE2 HIS A 41 5.620 -0.045 10.321 1.00 0.67 N ATOM 0 H HIS A 41 -0.321 0.356 7.930 1.00 0.16 H new ATOM 0 HA HIS A 41 1.678 0.926 8.645 1.00 0.17 H new ATOM 0 HB2 HIS A 41 1.616 -1.396 9.751 1.00 0.22 H new ATOM 0 HB3 HIS A 41 2.578 -1.971 8.404 1.00 0.22 H new ATOM 0 HD2 HIS A 41 5.143 -0.370 8.205 1.00 0.56 H new ATOM 0 HE1 HIS A 41 5.236 0.047 12.422 1.00 1.03 H new ATOM 0 HE2 HIS A 41 6.604 0.220 10.283 1.00 0.67 H new ATOM 686 N THR A 42 2.681 1.448 6.453 1.00 0.16 N ATOM 687 CA THR A 42 3.615 1.842 5.419 1.00 0.16 C ATOM 688 C THR A 42 4.909 2.305 6.084 1.00 0.20 C ATOM 689 O THR A 42 4.890 3.179 6.955 1.00 0.31 O ATOM 690 CB THR A 42 3.036 2.974 4.529 1.00 0.20 C ATOM 691 OG1 THR A 42 3.971 3.338 3.514 1.00 0.22 O ATOM 692 CG2 THR A 42 2.676 4.199 5.360 1.00 0.31 C ATOM 0 H THR A 42 2.105 2.209 6.813 1.00 0.16 H new ATOM 0 HA THR A 42 3.807 0.987 4.771 1.00 0.16 H new ATOM 0 HB THR A 42 2.127 2.596 4.061 1.00 0.20 H new ATOM 0 HG1 THR A 42 3.583 3.159 2.632 1.00 0.22 H new ATOM 0 HG21 THR A 42 2.273 4.975 4.709 1.00 0.31 H new ATOM 0 HG22 THR A 42 1.929 3.926 6.105 1.00 0.31 H new ATOM 0 HG23 THR A 42 3.568 4.574 5.861 1.00 0.31 H new ATOM 700 N TYR A 43 6.025 1.688 5.741 1.00 0.22 N ATOM 701 CA TYR A 43 7.284 2.114 6.307 1.00 0.29 C ATOM 702 C TYR A 43 8.352 2.183 5.239 1.00 0.27 C ATOM 703 O TYR A 43 8.324 1.432 4.266 1.00 0.37 O ATOM 704 CB TYR A 43 7.725 1.203 7.449 1.00 0.45 C ATOM 705 CG TYR A 43 8.611 1.926 8.432 1.00 0.74 C ATOM 706 CD1 TYR A 43 8.133 2.971 9.209 1.00 1.15 C ATOM 707 CD2 TYR A 43 9.929 1.529 8.600 1.00 0.94 C ATOM 708 CE1 TYR A 43 8.952 3.606 10.126 1.00 1.53 C ATOM 709 CE2 TYR A 43 10.753 2.155 9.508 1.00 1.34 C ATOM 710 CZ TYR A 43 10.224 3.322 10.212 1.00 1.58 C ATOM 711 OH TYR A 43 11.080 3.818 11.187 1.00 2.02 O ATOM 0 H TYR A 43 6.083 0.907 5.087 1.00 0.22 H new ATOM 0 HA TYR A 43 7.138 3.112 6.720 1.00 0.29 H new ATOM 0 HB2 TYR A 43 6.846 0.818 7.967 1.00 0.45 H new ATOM 0 HB3 TYR A 43 8.258 0.343 7.043 1.00 0.45 H new ATOM 0 HD1 TYR A 43 7.108 3.293 9.097 1.00 1.15 H new ATOM 0 HD2 TYR A 43 10.316 0.713 8.007 1.00 0.94 H new ATOM 0 HE1 TYR A 43 8.531 4.352 10.784 1.00 1.53 H new ATOM 0 HE2 TYR A 43 11.755 1.797 9.694 1.00 1.34 H new ATOM 0 HH TYR A 43 11.981 3.462 11.043 1.00 2.02 H new ATOM 721 N VAL A 44 9.288 3.093 5.434 1.00 0.25 N ATOM 722 CA VAL A 44 10.312 3.377 4.453 1.00 0.28 C ATOM 723 C VAL A 44 11.491 4.082 5.135 1.00 0.34 C ATOM 724 O VAL A 44 11.283 4.897 6.032 1.00 0.36 O ATOM 725 CB VAL A 44 9.728 4.254 3.316 1.00 0.33 C ATOM 726 CG1 VAL A 44 9.212 5.582 3.852 1.00 0.71 C ATOM 727 CG2 VAL A 44 10.747 4.476 2.219 1.00 0.60 C ATOM 0 H VAL A 44 9.357 3.657 6.281 1.00 0.25 H new ATOM 0 HA VAL A 44 10.668 2.444 4.015 1.00 0.28 H new ATOM 0 HB VAL A 44 8.883 3.715 2.887 1.00 0.33 H new ATOM 0 HG11 VAL A 44 8.809 6.174 3.030 1.00 0.71 H new ATOM 0 HG12 VAL A 44 8.427 5.398 4.586 1.00 0.71 H new ATOM 0 HG13 VAL A 44 10.030 6.126 4.324 1.00 0.71 H new ATOM 0 HG21 VAL A 44 10.309 5.094 1.435 1.00 0.60 H new ATOM 0 HG22 VAL A 44 11.622 4.978 2.631 1.00 0.60 H new ATOM 0 HG23 VAL A 44 11.045 3.515 1.799 1.00 0.60 H new ATOM 737 N PRO A 45 12.741 3.740 4.766 1.00 0.41 N ATOM 738 CA PRO A 45 13.937 4.401 5.306 1.00 0.48 C ATOM 739 C PRO A 45 13.977 5.891 4.971 1.00 0.51 C ATOM 740 O PRO A 45 13.322 6.341 4.027 1.00 0.50 O ATOM 741 CB PRO A 45 15.102 3.674 4.621 1.00 0.61 C ATOM 742 CG PRO A 45 14.531 2.384 4.154 1.00 0.79 C ATOM 743 CD PRO A 45 13.094 2.665 3.831 1.00 0.48 C ATOM 0 HA PRO A 45 13.967 4.347 6.394 1.00 0.48 H new ATOM 0 HB2 PRO A 45 15.495 4.256 3.787 1.00 0.61 H new ATOM 0 HB3 PRO A 45 15.928 3.512 5.314 1.00 0.61 H new ATOM 0 HG2 PRO A 45 15.064 2.015 3.277 1.00 0.79 H new ATOM 0 HG3 PRO A 45 14.616 1.617 4.924 1.00 0.79 H new ATOM 0 HD2 PRO A 45 12.968 2.977 2.794 1.00 0.48 H new ATOM 0 HD3 PRO A 45 12.469 1.784 3.977 1.00 0.48 H new ATOM 751 N SER A 46 14.767 6.636 5.740 1.00 0.63 N ATOM 752 CA SER A 46 14.866 8.090 5.618 1.00 0.77 C ATOM 753 C SER A 46 15.117 8.536 4.176 1.00 0.80 C ATOM 754 O SER A 46 14.603 9.570 3.741 1.00 0.94 O ATOM 755 CB SER A 46 15.985 8.594 6.528 1.00 0.91 C ATOM 756 OG SER A 46 15.804 8.117 7.852 1.00 1.39 O ATOM 0 H SER A 46 15.361 6.246 6.471 1.00 0.63 H new ATOM 0 HA SER A 46 13.911 8.520 5.921 1.00 0.77 H new ATOM 0 HB2 SER A 46 16.950 8.262 6.145 1.00 0.91 H new ATOM 0 HB3 SER A 46 15.999 9.684 6.527 1.00 0.91 H new ATOM 0 HG SER A 46 16.530 8.448 8.421 1.00 1.39 H new ATOM 762 N PHE A 47 15.886 7.739 3.444 1.00 0.75 N ATOM 763 CA PHE A 47 16.214 8.029 2.052 1.00 0.80 C ATOM 764 C PHE A 47 14.961 8.234 1.203 1.00 0.73 C ATOM 765 O PHE A 47 14.951 9.045 0.281 1.00 0.82 O ATOM 766 CB PHE A 47 17.030 6.875 1.472 1.00 0.83 C ATOM 767 CG PHE A 47 17.564 7.135 0.091 1.00 1.39 C ATOM 768 CD1 PHE A 47 18.566 8.072 -0.114 1.00 1.61 C ATOM 769 CD2 PHE A 47 17.069 6.442 -1.002 1.00 2.13 C ATOM 770 CE1 PHE A 47 19.059 8.314 -1.381 1.00 2.39 C ATOM 771 CE2 PHE A 47 17.559 6.680 -2.272 1.00 3.04 C ATOM 772 CZ PHE A 47 18.555 7.617 -2.461 1.00 3.12 C ATOM 0 H PHE A 47 16.299 6.876 3.797 1.00 0.75 H new ATOM 0 HA PHE A 47 16.790 8.954 2.031 1.00 0.80 H new ATOM 0 HB2 PHE A 47 17.866 6.663 2.139 1.00 0.83 H new ATOM 0 HB3 PHE A 47 16.408 5.980 1.447 1.00 0.83 H new ATOM 0 HD1 PHE A 47 18.965 8.619 0.727 1.00 1.61 H new ATOM 0 HD2 PHE A 47 16.291 5.707 -0.860 1.00 2.13 H new ATOM 0 HE1 PHE A 47 19.838 9.048 -1.527 1.00 2.39 H new ATOM 0 HE2 PHE A 47 17.163 6.134 -3.115 1.00 3.04 H new ATOM 0 HZ PHE A 47 18.940 7.805 -3.453 1.00 3.12 H new ATOM 782 N LYS A 48 13.902 7.502 1.519 1.00 0.61 N ATOM 783 CA LYS A 48 12.709 7.521 0.689 1.00 0.60 C ATOM 784 C LYS A 48 11.476 7.939 1.493 1.00 0.64 C ATOM 785 O LYS A 48 10.344 7.819 1.017 1.00 0.78 O ATOM 786 CB LYS A 48 12.494 6.140 0.056 1.00 0.55 C ATOM 787 CG LYS A 48 13.713 5.609 -0.687 1.00 0.76 C ATOM 788 CD LYS A 48 13.468 4.227 -1.274 1.00 0.81 C ATOM 789 CE LYS A 48 13.364 3.148 -0.200 1.00 0.97 C ATOM 790 NZ LYS A 48 14.688 2.817 0.395 1.00 1.19 N ATOM 0 H LYS A 48 13.845 6.894 2.336 1.00 0.61 H new ATOM 0 HA LYS A 48 12.853 8.259 -0.100 1.00 0.60 H new ATOM 0 HB2 LYS A 48 12.219 5.431 0.837 1.00 0.55 H new ATOM 0 HB3 LYS A 48 11.653 6.194 -0.636 1.00 0.55 H new ATOM 0 HG2 LYS A 48 13.979 6.300 -1.487 1.00 0.76 H new ATOM 0 HG3 LYS A 48 14.563 5.568 -0.006 1.00 0.76 H new ATOM 0 HD2 LYS A 48 12.549 4.242 -1.860 1.00 0.81 H new ATOM 0 HD3 LYS A 48 14.279 3.977 -1.959 1.00 0.81 H new ATOM 0 HE2 LYS A 48 12.688 3.484 0.586 1.00 0.97 H new ATOM 0 HE3 LYS A 48 12.927 2.248 -0.633 1.00 0.97 H new ATOM 0 HZ1 LYS A 48 14.576 2.045 1.083 1.00 1.19 H new ATOM 0 HZ2 LYS A 48 15.342 2.519 -0.357 1.00 1.19 H new ATOM 0 HZ3 LYS A 48 15.072 3.656 0.876 1.00 1.19 H new ATOM 804 N ARG A 49 11.700 8.432 2.711 1.00 0.73 N ATOM 805 CA ARG A 49 10.609 8.908 3.561 1.00 0.84 C ATOM 806 C ARG A 49 9.973 10.159 2.973 1.00 0.91 C ATOM 807 O ARG A 49 10.662 11.143 2.698 1.00 1.75 O ATOM 808 CB ARG A 49 11.100 9.193 4.986 1.00 1.03 C ATOM 809 CG ARG A 49 11.297 7.941 5.819 1.00 1.35 C ATOM 810 CD ARG A 49 11.904 8.245 7.182 1.00 1.45 C ATOM 811 NE ARG A 49 11.020 9.029 8.043 1.00 1.92 N ATOM 812 CZ ARG A 49 10.921 8.848 9.361 1.00 2.48 C ATOM 813 NH1 ARG A 49 11.617 7.890 9.957 1.00 2.70 N ATOM 814 NH2 ARG A 49 10.126 9.625 10.084 1.00 3.23 N ATOM 0 H ARG A 49 12.626 8.512 3.131 1.00 0.73 H new ATOM 0 HA ARG A 49 9.859 8.118 3.606 1.00 0.84 H new ATOM 0 HB2 ARG A 49 12.043 9.738 4.935 1.00 1.03 H new ATOM 0 HB3 ARG A 49 10.382 9.843 5.486 1.00 1.03 H new ATOM 0 HG2 ARG A 49 10.337 7.442 5.954 1.00 1.35 H new ATOM 0 HG3 ARG A 49 11.944 7.248 5.282 1.00 1.35 H new ATOM 0 HD2 ARG A 49 12.149 7.307 7.681 1.00 1.45 H new ATOM 0 HD3 ARG A 49 12.840 8.786 7.043 1.00 1.45 H new ATOM 0 HE ARG A 49 10.447 9.755 7.612 1.00 1.92 H new ATOM 0 HH11 ARG A 49 12.231 7.288 9.408 1.00 2.70 H new ATOM 0 HH12 ARG A 49 11.539 7.755 10.965 1.00 2.70 H new ATOM 0 HH21 ARG A 49 9.587 10.364 9.633 1.00 3.23 H new ATOM 0 HH22 ARG A 49 10.053 9.483 11.091 1.00 3.23 H new ATOM 828 N GLY A 50 8.663 10.097 2.755 1.00 1.00 N ATOM 829 CA GLY A 50 7.935 11.233 2.216 1.00 1.07 C ATOM 830 C GLY A 50 8.237 11.482 0.752 1.00 0.98 C ATOM 831 O GLY A 50 7.827 12.497 0.191 1.00 1.12 O ATOM 0 H GLY A 50 8.089 9.275 2.943 1.00 1.00 H new ATOM 0 HA2 GLY A 50 6.865 11.064 2.338 1.00 1.07 H new ATOM 0 HA3 GLY A 50 8.185 12.125 2.791 1.00 1.07 H new ATOM 835 N LEU A 51 8.952 10.551 0.132 1.00 0.81 N ATOM 836 CA LEU A 51 9.334 10.690 -1.265 1.00 0.81 C ATOM 837 C LEU A 51 8.240 10.148 -2.176 1.00 0.71 C ATOM 838 O LEU A 51 8.000 10.677 -3.263 1.00 0.88 O ATOM 839 CB LEU A 51 10.650 9.955 -1.526 1.00 0.82 C ATOM 840 CG LEU A 51 11.252 10.164 -2.916 1.00 1.11 C ATOM 841 CD1 LEU A 51 11.573 11.634 -3.144 1.00 1.46 C ATOM 842 CD2 LEU A 51 12.501 9.316 -3.087 1.00 1.95 C ATOM 0 H LEU A 51 9.278 9.692 0.576 1.00 0.81 H new ATOM 0 HA LEU A 51 9.471 11.749 -1.483 1.00 0.81 H new ATOM 0 HB2 LEU A 51 11.379 10.274 -0.781 1.00 0.82 H new ATOM 0 HB3 LEU A 51 10.487 8.888 -1.376 1.00 0.82 H new ATOM 0 HG LEU A 51 10.518 9.853 -3.659 1.00 1.11 H new ATOM 0 HD11 LEU A 51 12.001 11.763 -4.138 1.00 1.46 H new ATOM 0 HD12 LEU A 51 10.659 12.223 -3.063 1.00 1.46 H new ATOM 0 HD13 LEU A 51 12.289 11.970 -2.395 1.00 1.46 H new ATOM 0 HD21 LEU A 51 12.917 9.477 -4.082 1.00 1.95 H new ATOM 0 HD22 LEU A 51 13.238 9.599 -2.336 1.00 1.95 H new ATOM 0 HD23 LEU A 51 12.245 8.263 -2.966 1.00 1.95 H new ATOM 854 N GLY A 52 7.571 9.095 -1.724 1.00 0.52 N ATOM 855 CA GLY A 52 6.527 8.491 -2.528 1.00 0.43 C ATOM 856 C GLY A 52 6.538 6.978 -2.468 1.00 0.32 C ATOM 857 O GLY A 52 5.506 6.337 -2.661 1.00 0.28 O ATOM 0 H GLY A 52 7.731 8.651 -0.820 1.00 0.52 H new ATOM 0 HA2 GLY A 52 5.557 8.856 -2.189 1.00 0.43 H new ATOM 0 HA3 GLY A 52 6.643 8.809 -3.564 1.00 0.43 H new ATOM 861 N LEU A 53 7.715 6.408 -2.219 1.00 0.31 N ATOM 862 CA LEU A 53 7.886 4.954 -2.175 1.00 0.27 C ATOM 863 C LEU A 53 6.907 4.315 -1.188 1.00 0.20 C ATOM 864 O LEU A 53 6.281 3.304 -1.498 1.00 0.20 O ATOM 865 CB LEU A 53 9.341 4.609 -1.811 1.00 0.29 C ATOM 866 CG LEU A 53 9.754 3.134 -1.954 1.00 0.33 C ATOM 867 CD1 LEU A 53 9.332 2.322 -0.742 1.00 0.55 C ATOM 868 CD2 LEU A 53 9.160 2.534 -3.219 1.00 0.67 C ATOM 0 H LEU A 53 8.571 6.934 -2.043 1.00 0.31 H new ATOM 0 HA LEU A 53 7.667 4.547 -3.162 1.00 0.27 H new ATOM 0 HB2 LEU A 53 10.001 5.210 -2.437 1.00 0.29 H new ATOM 0 HB3 LEU A 53 9.516 4.914 -0.779 1.00 0.29 H new ATOM 0 HG LEU A 53 10.841 3.100 -2.023 1.00 0.33 H new ATOM 0 HD11 LEU A 53 9.639 1.284 -0.875 1.00 0.55 H new ATOM 0 HD12 LEU A 53 9.805 2.729 0.151 1.00 0.55 H new ATOM 0 HD13 LEU A 53 8.249 2.369 -0.632 1.00 0.55 H new ATOM 0 HD21 LEU A 53 9.463 1.490 -3.304 1.00 0.67 H new ATOM 0 HD22 LEU A 53 8.073 2.594 -3.174 1.00 0.67 H new ATOM 0 HD23 LEU A 53 9.518 3.087 -4.087 1.00 0.67 H new ATOM 880 N ALA A 54 6.765 4.922 -0.018 1.00 0.19 N ATOM 881 CA ALA A 54 5.838 4.434 0.999 1.00 0.17 C ATOM 882 C ALA A 54 4.418 4.307 0.439 1.00 0.15 C ATOM 883 O ALA A 54 3.730 3.304 0.652 1.00 0.15 O ATOM 884 CB ALA A 54 5.851 5.369 2.195 1.00 0.24 C ATOM 0 H ALA A 54 7.282 5.758 0.253 1.00 0.19 H new ATOM 0 HA ALA A 54 6.162 3.442 1.313 1.00 0.17 H new ATOM 0 HB1 ALA A 54 5.158 5.001 2.952 1.00 0.24 H new ATOM 0 HB2 ALA A 54 6.857 5.411 2.613 1.00 0.24 H new ATOM 0 HB3 ALA A 54 5.548 6.367 1.880 1.00 0.24 H new ATOM 890 N SER A 55 3.989 5.332 -0.280 1.00 0.17 N ATOM 891 CA SER A 55 2.689 5.334 -0.924 1.00 0.21 C ATOM 892 C SER A 55 2.634 4.310 -2.057 1.00 0.21 C ATOM 893 O SER A 55 1.592 3.705 -2.305 1.00 0.25 O ATOM 894 CB SER A 55 2.398 6.736 -1.453 1.00 0.28 C ATOM 895 OG SER A 55 2.663 7.713 -0.455 1.00 1.08 O ATOM 0 H SER A 55 4.531 6.182 -0.432 1.00 0.17 H new ATOM 0 HA SER A 55 1.930 5.054 -0.194 1.00 0.21 H new ATOM 0 HB2 SER A 55 3.010 6.933 -2.333 1.00 0.28 H new ATOM 0 HB3 SER A 55 1.356 6.803 -1.767 1.00 0.28 H new ATOM 0 HG SER A 55 2.473 8.605 -0.812 1.00 1.08 H new ATOM 901 N HIS A 56 3.763 4.105 -2.730 1.00 0.21 N ATOM 902 CA HIS A 56 3.842 3.117 -3.805 1.00 0.23 C ATOM 903 C HIS A 56 3.662 1.709 -3.260 1.00 0.20 C ATOM 904 O HIS A 56 3.157 0.828 -3.954 1.00 0.23 O ATOM 905 CB HIS A 56 5.163 3.223 -4.577 1.00 0.29 C ATOM 906 CG HIS A 56 5.078 4.136 -5.761 1.00 0.45 C ATOM 907 ND1 HIS A 56 4.960 3.673 -7.051 1.00 0.79 N ATOM 908 CD2 HIS A 56 5.070 5.485 -5.847 1.00 0.70 C ATOM 909 CE1 HIS A 56 4.881 4.695 -7.879 1.00 0.99 C ATOM 910 NE2 HIS A 56 4.943 5.812 -7.177 1.00 0.93 N ATOM 0 H HIS A 56 4.633 4.607 -2.552 1.00 0.21 H new ATOM 0 HA HIS A 56 3.030 3.331 -4.500 1.00 0.23 H new ATOM 0 HB2 HIS A 56 5.943 3.581 -3.905 1.00 0.29 H new ATOM 0 HB3 HIS A 56 5.462 2.230 -4.912 1.00 0.29 H new ATOM 0 HD2 HIS A 56 5.149 6.179 -5.023 1.00 0.70 H new ATOM 0 HE1 HIS A 56 4.782 4.630 -8.952 1.00 0.99 H new ATOM 0 HE2 HIS A 56 4.903 6.758 -7.557 1.00 0.93 H new ATOM 919 N LEU A 57 4.060 1.504 -2.011 1.00 0.15 N ATOM 920 CA LEU A 57 3.846 0.225 -1.350 1.00 0.13 C ATOM 921 C LEU A 57 2.349 -0.028 -1.220 1.00 0.13 C ATOM 922 O LEU A 57 1.867 -1.141 -1.437 1.00 0.15 O ATOM 923 CB LEU A 57 4.513 0.220 0.030 1.00 0.14 C ATOM 924 CG LEU A 57 6.025 0.456 0.021 1.00 0.17 C ATOM 925 CD1 LEU A 57 6.529 0.749 1.426 1.00 0.19 C ATOM 926 CD2 LEU A 57 6.747 -0.751 -0.560 1.00 0.22 C ATOM 0 H LEU A 57 4.531 2.204 -1.438 1.00 0.15 H new ATOM 0 HA LEU A 57 4.295 -0.570 -1.946 1.00 0.13 H new ATOM 0 HB2 LEU A 57 4.045 0.988 0.646 1.00 0.14 H new ATOM 0 HB3 LEU A 57 4.313 -0.738 0.509 1.00 0.14 H new ATOM 0 HG LEU A 57 6.234 1.322 -0.607 1.00 0.17 H new ATOM 0 HD11 LEU A 57 7.606 0.914 1.399 1.00 0.19 H new ATOM 0 HD12 LEU A 57 6.035 1.641 1.811 1.00 0.19 H new ATOM 0 HD13 LEU A 57 6.308 -0.098 2.076 1.00 0.19 H new ATOM 0 HD21 LEU A 57 7.821 -0.567 -0.559 1.00 0.22 H new ATOM 0 HD22 LEU A 57 6.529 -1.631 0.045 1.00 0.22 H new ATOM 0 HD23 LEU A 57 6.408 -0.920 -1.582 1.00 0.22 H new ATOM 938 N CYS A 58 1.620 1.031 -0.887 1.00 0.16 N ATOM 939 CA CYS A 58 0.163 0.969 -0.797 1.00 0.19 C ATOM 940 C CYS A 58 -0.451 0.746 -2.180 1.00 0.19 C ATOM 941 O CYS A 58 -1.407 -0.015 -2.330 1.00 0.20 O ATOM 942 CB CYS A 58 -0.387 2.258 -0.173 1.00 0.23 C ATOM 943 SG CYS A 58 -2.181 2.276 0.059 1.00 0.27 S ATOM 0 H CYS A 58 2.015 1.947 -0.674 1.00 0.16 H new ATOM 0 HA CYS A 58 -0.108 0.128 -0.159 1.00 0.19 H new ATOM 0 HB2 CYS A 58 0.093 2.412 0.794 1.00 0.23 H new ATOM 0 HB3 CYS A 58 -0.107 3.101 -0.805 1.00 0.23 H new ATOM 0 HG CYS A 58 -2.767 2.367 -1.098 1.00 0.27 H new ATOM 949 N VAL A 59 0.113 1.408 -3.184 1.00 0.19 N ATOM 950 CA VAL A 59 -0.359 1.273 -4.557 1.00 0.22 C ATOM 951 C VAL A 59 -0.179 -0.158 -5.057 1.00 0.20 C ATOM 952 O VAL A 59 -1.049 -0.700 -5.737 1.00 0.22 O ATOM 953 CB VAL A 59 0.372 2.249 -5.506 1.00 0.25 C ATOM 954 CG1 VAL A 59 -0.032 2.017 -6.956 1.00 0.29 C ATOM 955 CG2 VAL A 59 0.087 3.685 -5.106 1.00 0.29 C ATOM 0 H VAL A 59 0.901 2.046 -3.072 1.00 0.19 H new ATOM 0 HA VAL A 59 -1.421 1.520 -4.557 1.00 0.22 H new ATOM 0 HB VAL A 59 1.442 2.062 -5.420 1.00 0.25 H new ATOM 0 HG11 VAL A 59 0.499 2.719 -7.599 1.00 0.29 H new ATOM 0 HG12 VAL A 59 0.221 0.997 -7.246 1.00 0.29 H new ATOM 0 HG13 VAL A 59 -1.106 2.169 -7.063 1.00 0.29 H new ATOM 0 HG21 VAL A 59 0.608 4.362 -5.783 1.00 0.29 H new ATOM 0 HG22 VAL A 59 -0.985 3.872 -5.161 1.00 0.29 H new ATOM 0 HG23 VAL A 59 0.433 3.854 -4.086 1.00 0.29 H new ATOM 965 N ALA A 60 0.941 -0.774 -4.699 1.00 0.18 N ATOM 966 CA ALA A 60 1.216 -2.149 -5.096 1.00 0.21 C ATOM 967 C ALA A 60 0.217 -3.111 -4.471 1.00 0.17 C ATOM 968 O ALA A 60 -0.067 -4.170 -5.034 1.00 0.17 O ATOM 969 CB ALA A 60 2.640 -2.538 -4.727 1.00 0.28 C ATOM 0 H ALA A 60 1.673 -0.343 -4.135 1.00 0.18 H new ATOM 0 HA ALA A 60 1.110 -2.214 -6.179 1.00 0.21 H new ATOM 0 HB1 ALA A 60 2.826 -3.568 -5.031 1.00 0.28 H new ATOM 0 HB2 ALA A 60 3.341 -1.877 -5.236 1.00 0.28 H new ATOM 0 HB3 ALA A 60 2.774 -2.448 -3.649 1.00 0.28 H new ATOM 975 N ALA A 61 -0.332 -2.742 -3.316 1.00 0.16 N ATOM 976 CA ALA A 61 -1.365 -3.545 -2.706 1.00 0.16 C ATOM 977 C ALA A 61 -2.668 -3.357 -3.465 1.00 0.14 C ATOM 978 O ALA A 61 -3.449 -4.296 -3.620 1.00 0.15 O ATOM 979 CB ALA A 61 -1.519 -3.188 -1.242 1.00 0.20 C ATOM 0 H ALA A 61 -0.077 -1.902 -2.797 1.00 0.16 H new ATOM 0 HA ALA A 61 -1.085 -4.597 -2.757 1.00 0.16 H new ATOM 0 HB1 ALA A 61 -2.302 -3.803 -0.798 1.00 0.20 H new ATOM 0 HB2 ALA A 61 -0.578 -3.368 -0.723 1.00 0.20 H new ATOM 0 HB3 ALA A 61 -1.788 -2.136 -1.150 1.00 0.20 H new ATOM 985 N PHE A 62 -2.883 -2.137 -3.961 1.00 0.14 N ATOM 986 CA PHE A 62 -4.025 -1.851 -4.820 1.00 0.15 C ATOM 987 C PHE A 62 -3.951 -2.684 -6.088 1.00 0.15 C ATOM 988 O PHE A 62 -4.939 -3.296 -6.493 1.00 0.16 O ATOM 989 CB PHE A 62 -4.090 -0.368 -5.201 1.00 0.17 C ATOM 990 CG PHE A 62 -4.534 0.553 -4.097 1.00 0.19 C ATOM 991 CD1 PHE A 62 -5.682 0.282 -3.376 1.00 0.21 C ATOM 992 CD2 PHE A 62 -3.816 1.705 -3.800 1.00 0.20 C ATOM 993 CE1 PHE A 62 -6.107 1.136 -2.376 1.00 0.23 C ATOM 994 CE2 PHE A 62 -4.237 2.563 -2.799 1.00 0.23 C ATOM 995 CZ PHE A 62 -5.385 2.277 -2.087 1.00 0.24 C ATOM 0 H PHE A 62 -2.280 -1.334 -3.781 1.00 0.14 H new ATOM 0 HA PHE A 62 -4.924 -2.105 -4.258 1.00 0.15 H new ATOM 0 HB2 PHE A 62 -3.104 -0.053 -5.543 1.00 0.17 H new ATOM 0 HB3 PHE A 62 -4.771 -0.254 -6.044 1.00 0.17 H new ATOM 0 HD1 PHE A 62 -6.253 -0.607 -3.597 1.00 0.21 H new ATOM 0 HD2 PHE A 62 -2.919 1.933 -4.357 1.00 0.20 H new ATOM 0 HE1 PHE A 62 -7.005 0.911 -1.820 1.00 0.23 H new ATOM 0 HE2 PHE A 62 -3.669 3.454 -2.575 1.00 0.23 H new ATOM 0 HZ PHE A 62 -5.718 2.944 -1.306 1.00 0.24 H new ATOM 1005 N GLU A 63 -2.771 -2.698 -6.710 1.00 0.16 N ATOM 1006 CA GLU A 63 -2.536 -3.490 -7.916 1.00 0.19 C ATOM 1007 C GLU A 63 -2.926 -4.943 -7.684 1.00 0.19 C ATOM 1008 O GLU A 63 -3.552 -5.581 -8.531 1.00 0.24 O ATOM 1009 CB GLU A 63 -1.058 -3.427 -8.324 1.00 0.22 C ATOM 1010 CG GLU A 63 -0.535 -2.020 -8.566 1.00 0.29 C ATOM 1011 CD GLU A 63 0.879 -2.006 -9.114 1.00 1.16 C ATOM 1012 OE1 GLU A 63 1.157 -2.744 -10.082 1.00 1.58 O ATOM 1013 OE2 GLU A 63 1.724 -1.252 -8.581 1.00 1.98 O ATOM 0 H GLU A 63 -1.960 -2.166 -6.395 1.00 0.16 H new ATOM 0 HA GLU A 63 -3.149 -3.073 -8.715 1.00 0.19 H new ATOM 0 HB2 GLU A 63 -0.458 -3.896 -7.544 1.00 0.22 H new ATOM 0 HB3 GLU A 63 -0.918 -4.015 -9.231 1.00 0.22 H new ATOM 0 HG2 GLU A 63 -1.196 -1.507 -9.264 1.00 0.29 H new ATOM 0 HG3 GLU A 63 -0.563 -1.461 -7.631 1.00 0.29 H new ATOM 1020 N HIS A 64 -2.577 -5.439 -6.509 1.00 0.17 N ATOM 1021 CA HIS A 64 -2.778 -6.836 -6.164 1.00 0.19 C ATOM 1022 C HIS A 64 -4.263 -7.143 -5.979 1.00 0.19 C ATOM 1023 O HIS A 64 -4.776 -8.124 -6.520 1.00 0.24 O ATOM 1024 CB HIS A 64 -1.997 -7.151 -4.886 1.00 0.20 C ATOM 1025 CG HIS A 64 -1.896 -8.616 -4.561 1.00 0.58 C ATOM 1026 ND1 HIS A 64 -0.765 -9.359 -4.820 1.00 1.50 N ATOM 1027 CD2 HIS A 64 -2.777 -9.469 -3.985 1.00 1.13 C ATOM 1028 CE1 HIS A 64 -0.955 -10.603 -4.422 1.00 1.68 C ATOM 1029 NE2 HIS A 64 -2.168 -10.698 -3.911 1.00 1.33 N ATOM 0 H HIS A 64 -2.147 -4.885 -5.768 1.00 0.17 H new ATOM 0 HA HIS A 64 -2.412 -7.463 -6.977 1.00 0.19 H new ATOM 0 HB2 HIS A 64 -0.991 -6.743 -4.980 1.00 0.20 H new ATOM 0 HB3 HIS A 64 -2.472 -6.638 -4.050 1.00 0.20 H new ATOM 0 HD2 HIS A 64 -3.774 -9.227 -3.647 1.00 1.13 H new ATOM 0 HE1 HIS A 64 -0.239 -11.407 -4.501 1.00 1.68 H new ATOM 0 HE2 HIS A 64 -2.585 -11.545 -3.525 1.00 1.33 H new ATOM 1038 N ALA A 65 -4.945 -6.298 -5.221 1.00 0.15 N ATOM 1039 CA ALA A 65 -6.357 -6.505 -4.931 1.00 0.16 C ATOM 1040 C ALA A 65 -7.216 -6.288 -6.164 1.00 0.15 C ATOM 1041 O ALA A 65 -8.026 -7.142 -6.511 1.00 0.17 O ATOM 1042 CB ALA A 65 -6.814 -5.591 -3.815 1.00 0.20 C ATOM 0 H ALA A 65 -4.544 -5.462 -4.795 1.00 0.15 H new ATOM 0 HA ALA A 65 -6.476 -7.541 -4.612 1.00 0.16 H new ATOM 0 HB1 ALA A 65 -7.872 -5.762 -3.615 1.00 0.20 H new ATOM 0 HB2 ALA A 65 -6.236 -5.799 -2.915 1.00 0.20 H new ATOM 0 HB3 ALA A 65 -6.664 -4.553 -4.111 1.00 0.20 H new ATOM 1048 N SER A 66 -7.039 -5.149 -6.823 1.00 0.16 N ATOM 1049 CA SER A 66 -7.814 -4.829 -8.023 1.00 0.20 C ATOM 1050 C SER A 66 -7.756 -5.964 -9.047 1.00 0.24 C ATOM 1051 O SER A 66 -8.785 -6.382 -9.580 1.00 0.31 O ATOM 1052 CB SER A 66 -7.288 -3.549 -8.674 1.00 0.24 C ATOM 1053 OG SER A 66 -7.182 -2.506 -7.730 1.00 1.21 O ATOM 0 H SER A 66 -6.368 -4.431 -6.550 1.00 0.16 H new ATOM 0 HA SER A 66 -8.849 -4.689 -7.710 1.00 0.20 H new ATOM 0 HB2 SER A 66 -6.312 -3.739 -9.122 1.00 0.24 H new ATOM 0 HB3 SER A 66 -7.955 -3.247 -9.481 1.00 0.24 H new ATOM 0 HG SER A 66 -6.288 -2.517 -7.330 1.00 1.21 H new ATOM 1059 N SER A 67 -6.551 -6.466 -9.296 1.00 0.25 N ATOM 1060 CA SER A 67 -6.336 -7.505 -10.294 1.00 0.33 C ATOM 1061 C SER A 67 -6.990 -8.825 -9.878 1.00 0.34 C ATOM 1062 O SER A 67 -7.390 -9.626 -10.724 1.00 0.44 O ATOM 1063 CB SER A 67 -4.831 -7.697 -10.508 1.00 0.39 C ATOM 1064 OG SER A 67 -4.553 -8.575 -11.588 1.00 1.20 O ATOM 0 H SER A 67 -5.703 -6.166 -8.815 1.00 0.25 H new ATOM 0 HA SER A 67 -6.802 -7.191 -11.228 1.00 0.33 H new ATOM 0 HB2 SER A 67 -4.366 -6.730 -10.699 1.00 0.39 H new ATOM 0 HB3 SER A 67 -4.383 -8.092 -9.596 1.00 0.39 H new ATOM 0 HG SER A 67 -3.583 -8.669 -11.692 1.00 1.20 H new ATOM 1070 N HIS A 68 -7.115 -9.043 -8.576 1.00 0.29 N ATOM 1071 CA HIS A 68 -7.680 -10.290 -8.071 1.00 0.35 C ATOM 1072 C HIS A 68 -9.135 -10.087 -7.639 1.00 0.37 C ATOM 1073 O HIS A 68 -9.739 -10.972 -7.033 1.00 0.44 O ATOM 1074 CB HIS A 68 -6.843 -10.812 -6.897 1.00 0.37 C ATOM 1075 CG HIS A 68 -7.017 -12.280 -6.628 1.00 0.48 C ATOM 1076 ND1 HIS A 68 -7.990 -12.794 -5.795 1.00 1.25 N ATOM 1077 CD2 HIS A 68 -6.319 -13.347 -7.084 1.00 1.16 C ATOM 1078 CE1 HIS A 68 -7.881 -14.107 -5.749 1.00 1.03 C ATOM 1079 NE2 HIS A 68 -6.876 -14.469 -6.521 1.00 0.82 N ATOM 0 H HIS A 68 -6.836 -8.379 -7.854 1.00 0.29 H new ATOM 0 HA HIS A 68 -7.660 -11.029 -8.872 1.00 0.35 H new ATOM 0 HB2 HIS A 68 -5.790 -10.612 -7.097 1.00 0.37 H new ATOM 0 HB3 HIS A 68 -7.108 -10.254 -5.999 1.00 0.37 H new ATOM 0 HD2 HIS A 68 -5.480 -13.321 -7.764 1.00 1.16 H new ATOM 0 HE1 HIS A 68 -8.509 -14.773 -5.176 1.00 1.03 H new ATOM 0 HE2 HIS A 68 -6.563 -15.427 -6.675 1.00 0.82 H new ATOM 1088 N SER A 69 -9.686 -8.917 -7.961 1.00 0.33 N ATOM 1089 CA SER A 69 -11.067 -8.576 -7.621 1.00 0.37 C ATOM 1090 C SER A 69 -11.274 -8.599 -6.103 1.00 0.34 C ATOM 1091 O SER A 69 -12.173 -9.275 -5.592 1.00 0.54 O ATOM 1092 CB SER A 69 -12.040 -9.544 -8.307 1.00 0.47 C ATOM 1093 OG SER A 69 -11.740 -9.679 -9.690 1.00 1.12 O ATOM 0 H SER A 69 -9.189 -8.181 -8.463 1.00 0.33 H new ATOM 0 HA SER A 69 -11.268 -7.566 -7.978 1.00 0.37 H new ATOM 0 HB2 SER A 69 -11.988 -10.520 -7.824 1.00 0.47 H new ATOM 0 HB3 SER A 69 -13.061 -9.183 -8.187 1.00 0.47 H new ATOM 0 HG SER A 69 -12.374 -10.302 -10.103 1.00 1.12 H new ATOM 1099 N ILE A 70 -10.429 -7.865 -5.386 1.00 0.22 N ATOM 1100 CA ILE A 70 -10.500 -7.805 -3.932 1.00 0.21 C ATOM 1101 C ILE A 70 -10.739 -6.367 -3.467 1.00 0.19 C ATOM 1102 O ILE A 70 -10.363 -5.418 -4.154 1.00 0.20 O ATOM 1103 CB ILE A 70 -9.195 -8.345 -3.284 1.00 0.23 C ATOM 1104 CG1 ILE A 70 -8.816 -9.703 -3.884 1.00 0.30 C ATOM 1105 CG2 ILE A 70 -9.353 -8.473 -1.775 1.00 0.27 C ATOM 1106 CD1 ILE A 70 -7.522 -10.274 -3.340 1.00 0.36 C ATOM 0 H ILE A 70 -9.683 -7.300 -5.792 1.00 0.22 H new ATOM 0 HA ILE A 70 -11.334 -8.432 -3.617 1.00 0.21 H new ATOM 0 HB ILE A 70 -8.398 -7.632 -3.493 1.00 0.23 H new ATOM 0 HG12 ILE A 70 -9.623 -10.411 -3.694 1.00 0.30 H new ATOM 0 HG13 ILE A 70 -8.730 -9.600 -4.966 1.00 0.30 H new ATOM 0 HG21 ILE A 70 -8.427 -8.853 -1.343 1.00 0.27 H new ATOM 0 HG22 ILE A 70 -9.578 -7.495 -1.349 1.00 0.27 H new ATOM 0 HG23 ILE A 70 -10.167 -9.163 -1.552 1.00 0.27 H new ATOM 0 HD11 ILE A 70 -7.322 -11.236 -3.813 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -6.703 -9.587 -3.553 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -7.609 -10.411 -2.262 1.00 0.36 H new ATOM 1118 N SER A 71 -11.364 -6.212 -2.305 1.00 0.19 N ATOM 1119 CA SER A 71 -11.583 -4.898 -1.717 1.00 0.19 C ATOM 1120 C SER A 71 -10.419 -4.567 -0.783 1.00 0.17 C ATOM 1121 O SER A 71 -9.631 -5.449 -0.458 1.00 0.19 O ATOM 1122 CB SER A 71 -12.907 -4.885 -0.951 1.00 0.23 C ATOM 1123 OG SER A 71 -13.969 -5.358 -1.769 1.00 1.01 O ATOM 0 H SER A 71 -11.729 -6.986 -1.750 1.00 0.19 H new ATOM 0 HA SER A 71 -11.634 -4.145 -2.504 1.00 0.19 H new ATOM 0 HB2 SER A 71 -12.823 -5.508 -0.060 1.00 0.23 H new ATOM 0 HB3 SER A 71 -13.126 -3.872 -0.612 1.00 0.23 H new ATOM 0 HG SER A 71 -14.806 -5.343 -1.259 1.00 1.01 H new ATOM 1129 N ILE A 72 -10.295 -3.312 -0.365 1.00 0.15 N ATOM 1130 CA ILE A 72 -9.149 -2.891 0.443 1.00 0.14 C ATOM 1131 C ILE A 72 -9.560 -1.888 1.535 1.00 0.14 C ATOM 1132 O ILE A 72 -10.540 -1.159 1.398 1.00 0.16 O ATOM 1133 CB ILE A 72 -8.037 -2.264 -0.459 1.00 0.14 C ATOM 1134 CG1 ILE A 72 -7.403 -3.322 -1.367 1.00 0.16 C ATOM 1135 CG2 ILE A 72 -6.960 -1.568 0.359 1.00 0.14 C ATOM 1136 CD1 ILE A 72 -6.123 -2.857 -2.031 1.00 0.20 C ATOM 0 H ILE A 72 -10.966 -2.571 -0.568 1.00 0.15 H new ATOM 0 HA ILE A 72 -8.755 -3.782 0.931 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.524 -1.511 -1.079 1.00 0.14 H new ATOM 0 HG12 ILE A 72 -7.195 -4.216 -0.780 1.00 0.16 H new ATOM 0 HG13 ILE A 72 -8.120 -3.606 -2.137 1.00 0.16 H new ATOM 0 HG21 ILE A 72 -6.209 -1.148 -0.310 1.00 0.14 H new ATOM 0 HG22 ILE A 72 -7.410 -0.768 0.947 1.00 0.14 H new ATOM 0 HG23 ILE A 72 -6.488 -2.288 1.027 1.00 0.14 H new ATOM 0 HD11 ILE A 72 -5.728 -3.655 -2.659 1.00 0.20 H new ATOM 0 HD12 ILE A 72 -6.329 -1.980 -2.645 1.00 0.20 H new ATOM 0 HD13 ILE A 72 -5.389 -2.600 -1.267 1.00 0.20 H new ATOM 1148 N ILE A 73 -8.807 -1.894 2.628 1.00 0.13 N ATOM 1149 CA ILE A 73 -8.931 -0.920 3.710 1.00 0.13 C ATOM 1150 C ILE A 73 -7.522 -0.523 4.151 1.00 0.13 C ATOM 1151 O ILE A 73 -6.819 -1.312 4.775 1.00 0.13 O ATOM 1152 CB ILE A 73 -9.694 -1.494 4.929 1.00 0.14 C ATOM 1153 CG1 ILE A 73 -11.178 -1.687 4.597 1.00 0.19 C ATOM 1154 CG2 ILE A 73 -9.524 -0.596 6.150 1.00 0.15 C ATOM 1155 CD1 ILE A 73 -11.910 -0.401 4.271 1.00 0.24 C ATOM 0 H ILE A 73 -8.078 -2.589 2.792 1.00 0.13 H new ATOM 0 HA ILE A 73 -9.496 -0.064 3.341 1.00 0.13 H new ATOM 0 HB ILE A 73 -9.268 -2.469 5.167 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -11.264 -2.367 3.749 1.00 0.19 H new ATOM 0 HG13 ILE A 73 -11.669 -2.168 5.443 1.00 0.19 H new ATOM 0 HG21 ILE A 73 -10.069 -1.021 6.993 1.00 0.15 H new ATOM 0 HG22 ILE A 73 -8.466 -0.522 6.403 1.00 0.15 H new ATOM 0 HG23 ILE A 73 -9.915 0.397 5.928 1.00 0.15 H new ATOM 0 HD11 ILE A 73 -12.954 -0.623 4.048 1.00 0.24 H new ATOM 0 HD12 ILE A 73 -11.857 0.274 5.125 1.00 0.24 H new ATOM 0 HD13 ILE A 73 -11.446 0.072 3.405 1.00 0.24 H new ATOM 1167 N PRO A 74 -7.060 0.676 3.791 1.00 0.17 N ATOM 1168 CA PRO A 74 -5.703 1.104 4.084 1.00 0.18 C ATOM 1169 C PRO A 74 -5.545 1.746 5.466 1.00 0.17 C ATOM 1170 O PRO A 74 -5.955 2.886 5.680 1.00 0.19 O ATOM 1171 CB PRO A 74 -5.406 2.128 2.978 1.00 0.23 C ATOM 1172 CG PRO A 74 -6.711 2.401 2.282 1.00 0.31 C ATOM 1173 CD PRO A 74 -7.795 1.698 3.056 1.00 0.23 C ATOM 0 HA PRO A 74 -5.019 0.256 4.105 1.00 0.18 H new ATOM 0 HB2 PRO A 74 -4.993 3.044 3.399 1.00 0.23 H new ATOM 0 HB3 PRO A 74 -4.668 1.738 2.277 1.00 0.23 H new ATOM 0 HG2 PRO A 74 -6.905 3.473 2.238 1.00 0.31 H new ATOM 0 HG3 PRO A 74 -6.679 2.041 1.254 1.00 0.31 H new ATOM 0 HD2 PRO A 74 -8.319 2.379 3.726 1.00 0.23 H new ATOM 0 HD3 PRO A 74 -8.544 1.261 2.396 1.00 0.23 H new ATOM 1181 N SER A 75 -4.957 0.997 6.399 1.00 0.16 N ATOM 1182 CA SER A 75 -4.547 1.535 7.695 1.00 0.17 C ATOM 1183 C SER A 75 -3.324 2.433 7.491 1.00 0.16 C ATOM 1184 O SER A 75 -2.990 3.276 8.320 1.00 0.20 O ATOM 1185 CB SER A 75 -4.225 0.388 8.659 1.00 0.20 C ATOM 1186 OG SER A 75 -3.886 0.868 9.949 1.00 1.19 O ATOM 0 H SER A 75 -4.753 0.005 6.278 1.00 0.16 H new ATOM 0 HA SER A 75 -5.356 2.123 8.129 1.00 0.17 H new ATOM 0 HB2 SER A 75 -5.085 -0.278 8.733 1.00 0.20 H new ATOM 0 HB3 SER A 75 -3.399 -0.201 8.261 1.00 0.20 H new ATOM 0 HG SER A 75 -3.688 0.110 10.538 1.00 1.19 H new ATOM 1192 N CYS A 76 -2.677 2.215 6.353 1.00 0.17 N ATOM 1193 CA CYS A 76 -1.623 3.069 5.799 1.00 0.17 C ATOM 1194 C CYS A 76 -2.107 4.498 5.504 1.00 0.16 C ATOM 1195 O CYS A 76 -1.515 5.178 4.673 1.00 0.20 O ATOM 1196 CB CYS A 76 -0.999 2.439 4.557 1.00 0.25 C ATOM 1197 SG CYS A 76 -0.363 0.779 4.846 1.00 0.90 S ATOM 0 H CYS A 76 -2.877 1.407 5.764 1.00 0.17 H new ATOM 0 HA CYS A 76 -0.856 3.150 6.569 1.00 0.17 H new ATOM 0 HB2 CYS A 76 -1.745 2.402 3.763 1.00 0.25 H new ATOM 0 HB3 CYS A 76 -0.188 3.075 4.203 1.00 0.25 H new ATOM 0 HG CYS A 76 -0.617 0.031 3.814 1.00 0.90 H new ATOM 1203 N SER A 77 -3.247 4.889 6.089 1.00 0.20 N ATOM 1204 CA SER A 77 -3.986 6.109 5.743 1.00 0.25 C ATOM 1205 C SER A 77 -3.133 7.392 5.645 1.00 0.24 C ATOM 1206 O SER A 77 -3.656 8.433 5.257 1.00 0.26 O ATOM 1207 CB SER A 77 -5.094 6.335 6.773 1.00 0.34 C ATOM 1208 OG SER A 77 -5.935 5.200 6.878 1.00 0.71 O ATOM 0 H SER A 77 -3.691 4.352 6.834 1.00 0.20 H new ATOM 0 HA SER A 77 -4.379 5.934 4.741 1.00 0.25 H new ATOM 0 HB2 SER A 77 -4.652 6.554 7.745 1.00 0.34 H new ATOM 0 HB3 SER A 77 -5.686 7.205 6.489 1.00 0.34 H new ATOM 0 HG SER A 77 -5.799 4.619 6.101 1.00 0.71 H new ATOM 1214 N TYR A 78 -1.844 7.340 5.981 1.00 0.23 N ATOM 1215 CA TYR A 78 -0.929 8.401 5.565 1.00 0.24 C ATOM 1216 C TYR A 78 -0.993 8.513 4.040 1.00 0.20 C ATOM 1217 O TYR A 78 -1.169 9.598 3.487 1.00 0.21 O ATOM 1218 CB TYR A 78 0.512 8.099 6.022 1.00 0.27 C ATOM 1219 CG TYR A 78 1.578 8.397 4.975 1.00 0.24 C ATOM 1220 CD1 TYR A 78 2.010 9.701 4.756 1.00 0.24 C ATOM 1221 CD2 TYR A 78 2.166 7.384 4.225 1.00 0.26 C ATOM 1222 CE1 TYR A 78 2.991 9.989 3.828 1.00 0.25 C ATOM 1223 CE2 TYR A 78 3.147 7.664 3.289 1.00 0.27 C ATOM 1224 CZ TYR A 78 3.497 8.918 3.021 1.00 0.25 C ATOM 1225 OH TYR A 78 4.540 9.255 2.176 1.00 0.30 O ATOM 0 H TYR A 78 -1.417 6.592 6.528 1.00 0.23 H new ATOM 0 HA TYR A 78 -1.225 9.343 6.026 1.00 0.24 H new ATOM 0 HB2 TYR A 78 0.726 8.682 6.918 1.00 0.27 H new ATOM 0 HB3 TYR A 78 0.579 7.048 6.302 1.00 0.27 H new ATOM 0 HD1 TYR A 78 1.568 10.506 5.324 1.00 0.24 H new ATOM 0 HD2 TYR A 78 1.852 6.362 4.375 1.00 0.26 H new ATOM 0 HE1 TYR A 78 3.367 10.995 3.713 1.00 0.25 H new ATOM 0 HE2 TYR A 78 3.635 6.852 2.769 1.00 0.27 H new ATOM 0 HH TYR A 78 4.819 8.464 1.669 1.00 0.30 H new ATOM 1235 N VAL A 79 -0.887 7.363 3.381 1.00 0.18 N ATOM 1236 CA VAL A 79 -1.033 7.271 1.941 1.00 0.17 C ATOM 1237 C VAL A 79 -2.452 7.634 1.540 1.00 0.18 C ATOM 1238 O VAL A 79 -2.674 8.378 0.594 1.00 0.19 O ATOM 1239 CB VAL A 79 -0.739 5.839 1.441 1.00 0.18 C ATOM 1240 CG1 VAL A 79 -0.874 5.751 -0.071 1.00 0.20 C ATOM 1241 CG2 VAL A 79 0.640 5.380 1.890 1.00 0.18 C ATOM 0 H VAL A 79 -0.697 6.470 3.836 1.00 0.18 H new ATOM 0 HA VAL A 79 -0.320 7.963 1.492 1.00 0.17 H new ATOM 0 HB VAL A 79 -1.478 5.171 1.883 1.00 0.18 H new ATOM 0 HG11 VAL A 79 -0.662 4.733 -0.397 1.00 0.20 H new ATOM 0 HG12 VAL A 79 -1.889 6.021 -0.362 1.00 0.20 H new ATOM 0 HG13 VAL A 79 -0.168 6.436 -0.540 1.00 0.20 H new ATOM 0 HG21 VAL A 79 0.824 4.369 1.526 1.00 0.18 H new ATOM 0 HG22 VAL A 79 1.397 6.054 1.488 1.00 0.18 H new ATOM 0 HG23 VAL A 79 0.689 5.388 2.979 1.00 0.18 H new ATOM 1251 N SER A 80 -3.406 7.113 2.292 1.00 0.20 N ATOM 1252 CA SER A 80 -4.818 7.306 1.991 1.00 0.25 C ATOM 1253 C SER A 80 -5.182 8.794 1.956 1.00 0.23 C ATOM 1254 O SER A 80 -5.865 9.256 1.045 1.00 0.23 O ATOM 1255 CB SER A 80 -5.666 6.572 3.036 1.00 0.36 C ATOM 1256 OG SER A 80 -7.043 6.592 2.713 1.00 0.99 O ATOM 0 H SER A 80 -3.228 6.548 3.123 1.00 0.20 H new ATOM 0 HA SER A 80 -5.022 6.895 1.002 1.00 0.25 H new ATOM 0 HB2 SER A 80 -5.328 5.539 3.116 1.00 0.36 H new ATOM 0 HB3 SER A 80 -5.516 7.033 4.012 1.00 0.36 H new ATOM 0 HG SER A 80 -7.548 6.113 3.403 1.00 0.99 H new ATOM 1262 N ASP A 81 -4.683 9.532 2.932 1.00 0.24 N ATOM 1263 CA ASP A 81 -5.027 10.942 3.110 1.00 0.25 C ATOM 1264 C ASP A 81 -4.505 11.794 1.958 1.00 0.25 C ATOM 1265 O ASP A 81 -5.245 12.578 1.373 1.00 0.27 O ATOM 1266 CB ASP A 81 -4.438 11.449 4.435 1.00 0.31 C ATOM 1267 CG ASP A 81 -4.484 12.963 4.585 1.00 0.38 C ATOM 1268 OD1 ASP A 81 -3.576 13.646 4.073 1.00 0.47 O ATOM 1269 OD2 ASP A 81 -5.458 13.480 5.174 1.00 0.48 O ATOM 0 H ASP A 81 -4.027 9.175 3.627 1.00 0.24 H new ATOM 0 HA ASP A 81 -6.114 11.027 3.126 1.00 0.25 H new ATOM 0 HB2 ASP A 81 -4.983 10.994 5.262 1.00 0.31 H new ATOM 0 HB3 ASP A 81 -3.403 11.116 4.513 1.00 0.31 H new ATOM 1274 N THR A 82 -3.219 11.668 1.664 1.00 0.23 N ATOM 1275 CA THR A 82 -2.598 12.478 0.626 1.00 0.25 C ATOM 1276 C THR A 82 -2.718 11.841 -0.765 1.00 0.22 C ATOM 1277 O THR A 82 -3.200 12.465 -1.715 1.00 0.23 O ATOM 1278 CB THR A 82 -1.107 12.766 0.945 1.00 0.28 C ATOM 1279 OG1 THR A 82 -0.513 13.521 -0.117 1.00 0.31 O ATOM 1280 CG2 THR A 82 -0.313 11.483 1.170 1.00 0.26 C ATOM 0 H THR A 82 -2.587 11.015 2.128 1.00 0.23 H new ATOM 0 HA THR A 82 -3.145 13.421 0.611 1.00 0.25 H new ATOM 0 HB THR A 82 -1.077 13.343 1.869 1.00 0.28 H new ATOM 0 HG1 THR A 82 0.427 13.699 0.094 1.00 0.31 H new ATOM 0 HG21 THR A 82 0.725 11.732 1.390 1.00 0.26 H new ATOM 0 HG22 THR A 82 -0.740 10.933 2.009 1.00 0.26 H new ATOM 0 HG23 THR A 82 -0.356 10.866 0.272 1.00 0.26 H new ATOM 1288 N PHE A 83 -2.298 10.591 -0.870 1.00 0.19 N ATOM 1289 CA PHE A 83 -2.099 9.951 -2.159 1.00 0.19 C ATOM 1290 C PHE A 83 -3.414 9.600 -2.835 1.00 0.19 C ATOM 1291 O PHE A 83 -3.527 9.703 -4.053 1.00 0.21 O ATOM 1292 CB PHE A 83 -1.246 8.697 -1.994 1.00 0.18 C ATOM 1293 CG PHE A 83 -0.293 8.461 -3.132 1.00 0.80 C ATOM 1294 CD1 PHE A 83 0.583 9.451 -3.541 1.00 0.81 C ATOM 1295 CD2 PHE A 83 -0.279 7.243 -3.796 1.00 1.54 C ATOM 1296 CE1 PHE A 83 1.457 9.229 -4.589 1.00 1.50 C ATOM 1297 CE2 PHE A 83 0.593 7.017 -4.842 1.00 2.25 C ATOM 1298 CZ PHE A 83 1.474 8.034 -5.234 1.00 2.24 C ATOM 0 H PHE A 83 -2.087 9.995 -0.070 1.00 0.19 H new ATOM 0 HA PHE A 83 -1.582 10.665 -2.801 1.00 0.19 H new ATOM 0 HB2 PHE A 83 -0.679 8.774 -1.066 1.00 0.18 H new ATOM 0 HB3 PHE A 83 -1.902 7.832 -1.896 1.00 0.18 H new ATOM 0 HD1 PHE A 83 0.584 10.406 -3.037 1.00 0.81 H new ATOM 0 HD2 PHE A 83 -0.959 6.462 -3.491 1.00 1.54 H new ATOM 0 HE1 PHE A 83 2.132 10.013 -4.898 1.00 1.50 H new ATOM 0 HE2 PHE A 83 0.596 6.066 -5.353 1.00 2.25 H new ATOM 0 HZ PHE A 83 2.165 7.868 -6.047 1.00 2.24 H new ATOM 1308 N LEU A 84 -4.412 9.198 -2.062 1.00 0.18 N ATOM 1309 CA LEU A 84 -5.679 8.776 -2.651 1.00 0.19 C ATOM 1310 C LEU A 84 -6.416 9.919 -3.353 1.00 0.22 C ATOM 1311 O LEU A 84 -6.997 9.704 -4.409 1.00 0.26 O ATOM 1312 CB LEU A 84 -6.562 8.106 -1.614 1.00 0.20 C ATOM 1313 CG LEU A 84 -6.315 6.608 -1.472 1.00 0.25 C ATOM 1314 CD1 LEU A 84 -7.023 6.074 -0.253 1.00 0.35 C ATOM 1315 CD2 LEU A 84 -6.782 5.871 -2.722 1.00 0.34 C ATOM 0 H LEU A 84 -4.374 9.154 -1.044 1.00 0.18 H new ATOM 0 HA LEU A 84 -5.439 8.045 -3.423 1.00 0.19 H new ATOM 0 HB2 LEU A 84 -6.400 8.585 -0.648 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -7.607 8.269 -1.879 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.244 6.443 -1.353 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -6.838 5.004 -0.164 1.00 0.35 H new ATOM 0 HD12 LEU A 84 -6.650 6.582 0.636 1.00 0.35 H new ATOM 0 HD13 LEU A 84 -8.094 6.250 -0.348 1.00 0.35 H new ATOM 0 HD21 LEU A 84 -6.599 4.803 -2.605 1.00 0.34 H new ATOM 0 HD22 LEU A 84 -7.849 6.042 -2.868 1.00 0.34 H new ATOM 0 HD23 LEU A 84 -6.233 6.240 -3.588 1.00 0.34 H new ATOM 1327 N PRO A 85 -6.436 11.137 -2.790 1.00 0.22 N ATOM 1328 CA PRO A 85 -6.901 12.315 -3.523 1.00 0.26 C ATOM 1329 C PRO A 85 -6.077 12.562 -4.788 1.00 0.28 C ATOM 1330 O PRO A 85 -6.592 13.054 -5.793 1.00 0.33 O ATOM 1331 CB PRO A 85 -6.702 13.466 -2.537 1.00 0.28 C ATOM 1332 CG PRO A 85 -6.680 12.825 -1.202 1.00 0.30 C ATOM 1333 CD PRO A 85 -6.087 11.459 -1.400 1.00 0.22 C ATOM 0 HA PRO A 85 -7.932 12.201 -3.857 1.00 0.26 H new ATOM 0 HB2 PRO A 85 -5.772 13.999 -2.735 1.00 0.28 H new ATOM 0 HB3 PRO A 85 -7.509 14.195 -2.612 1.00 0.28 H new ATOM 0 HG2 PRO A 85 -6.085 13.409 -0.500 1.00 0.30 H new ATOM 0 HG3 PRO A 85 -7.686 12.756 -0.787 1.00 0.30 H new ATOM 0 HD2 PRO A 85 -5.008 11.463 -1.247 1.00 0.22 H new ATOM 0 HD3 PRO A 85 -6.505 10.734 -0.702 1.00 0.22 H new ATOM 1341 N ARG A 86 -4.794 12.209 -4.730 1.00 0.27 N ATOM 1342 CA ARG A 86 -3.897 12.397 -5.868 1.00 0.31 C ATOM 1343 C ARG A 86 -4.217 11.410 -6.989 1.00 0.35 C ATOM 1344 O ARG A 86 -4.135 11.754 -8.167 1.00 0.48 O ATOM 1345 CB ARG A 86 -2.436 12.251 -5.442 1.00 0.33 C ATOM 1346 CG ARG A 86 -1.996 13.272 -4.411 1.00 0.75 C ATOM 1347 CD ARG A 86 -0.504 13.180 -4.151 1.00 0.72 C ATOM 1348 NE ARG A 86 0.269 13.621 -5.310 1.00 1.43 N ATOM 1349 CZ ARG A 86 1.595 13.569 -5.403 1.00 1.69 C ATOM 1350 NH1 ARG A 86 2.326 13.100 -4.393 1.00 1.44 N ATOM 1351 NH2 ARG A 86 2.186 13.997 -6.513 1.00 2.56 N ATOM 0 H ARG A 86 -4.354 11.793 -3.910 1.00 0.27 H new ATOM 0 HA ARG A 86 -4.051 13.408 -6.244 1.00 0.31 H new ATOM 0 HB2 ARG A 86 -2.283 11.250 -5.038 1.00 0.33 H new ATOM 0 HB3 ARG A 86 -1.800 12.340 -6.322 1.00 0.33 H new ATOM 0 HG2 ARG A 86 -2.246 14.274 -4.758 1.00 0.75 H new ATOM 0 HG3 ARG A 86 -2.541 13.111 -3.481 1.00 0.75 H new ATOM 0 HD2 ARG A 86 -0.246 13.791 -3.286 1.00 0.72 H new ATOM 0 HD3 ARG A 86 -0.239 12.152 -3.905 1.00 0.72 H new ATOM 0 HE ARG A 86 -0.246 13.996 -6.106 1.00 1.43 H new ATOM 0 HH11 ARG A 86 1.870 12.777 -3.540 1.00 1.44 H new ATOM 0 HH12 ARG A 86 3.342 13.064 -4.473 1.00 1.44 H new ATOM 0 HH21 ARG A 86 1.624 14.361 -7.282 1.00 2.56 H new ATOM 0 HH22 ARG A 86 3.202 13.962 -6.596 1.00 2.56 H new ATOM 1365 N ASN A 87 -4.580 10.186 -6.622 1.00 0.30 N ATOM 1366 CA ASN A 87 -4.982 9.191 -7.610 1.00 0.37 C ATOM 1367 C ASN A 87 -6.160 8.357 -7.087 1.00 0.34 C ATOM 1368 O ASN A 87 -6.001 7.260 -6.556 1.00 0.35 O ATOM 1369 CB ASN A 87 -3.790 8.308 -8.065 1.00 0.50 C ATOM 1370 CG ASN A 87 -3.281 7.295 -7.041 1.00 0.95 C ATOM 1371 OD1 ASN A 87 -2.947 6.165 -7.398 1.00 1.78 O ATOM 1372 ND2 ASN A 87 -3.178 7.685 -5.783 1.00 1.22 N ATOM 0 H ASN A 87 -4.604 9.860 -5.656 1.00 0.30 H new ATOM 0 HA ASN A 87 -5.322 9.720 -8.501 1.00 0.37 H new ATOM 0 HB2 ASN A 87 -4.085 7.769 -8.965 1.00 0.50 H new ATOM 0 HB3 ASN A 87 -2.963 8.962 -8.342 1.00 0.50 H new ATOM 0 HD21 ASN A 87 -2.814 7.044 -5.078 1.00 1.22 H new ATOM 0 HD22 ASN A 87 -3.463 8.628 -5.516 1.00 1.22 H new ATOM 1379 N PRO A 88 -7.377 8.902 -7.216 1.00 0.38 N ATOM 1380 CA PRO A 88 -8.593 8.301 -6.676 1.00 0.42 C ATOM 1381 C PRO A 88 -9.175 7.236 -7.597 1.00 0.49 C ATOM 1382 O PRO A 88 -10.322 7.334 -8.026 1.00 0.89 O ATOM 1383 CB PRO A 88 -9.558 9.492 -6.553 1.00 0.53 C ATOM 1384 CG PRO A 88 -8.836 10.685 -7.102 1.00 0.51 C ATOM 1385 CD PRO A 88 -7.676 10.160 -7.894 1.00 0.46 C ATOM 0 HA PRO A 88 -8.407 7.787 -5.733 1.00 0.42 H new ATOM 0 HB2 PRO A 88 -10.477 9.305 -7.109 1.00 0.53 H new ATOM 0 HB3 PRO A 88 -9.842 9.655 -5.513 1.00 0.53 H new ATOM 0 HG2 PRO A 88 -9.496 11.281 -7.732 1.00 0.51 H new ATOM 0 HG3 PRO A 88 -8.493 11.334 -6.296 1.00 0.51 H new ATOM 0 HD2 PRO A 88 -7.936 10.005 -8.941 1.00 0.46 H new ATOM 0 HD3 PRO A 88 -6.828 10.844 -7.874 1.00 0.46 H new ATOM 1393 N SER A 89 -8.396 6.208 -7.878 1.00 0.30 N ATOM 1394 CA SER A 89 -8.834 5.153 -8.778 1.00 0.36 C ATOM 1395 C SER A 89 -9.033 3.850 -8.014 1.00 0.34 C ATOM 1396 O SER A 89 -9.079 2.767 -8.603 1.00 0.42 O ATOM 1397 CB SER A 89 -7.802 4.971 -9.892 1.00 0.44 C ATOM 1398 OG SER A 89 -7.539 6.205 -10.546 1.00 1.37 O ATOM 0 H SER A 89 -7.458 6.079 -7.498 1.00 0.30 H new ATOM 0 HA SER A 89 -9.789 5.434 -9.221 1.00 0.36 H new ATOM 0 HB2 SER A 89 -6.878 4.572 -9.475 1.00 0.44 H new ATOM 0 HB3 SER A 89 -8.167 4.242 -10.615 1.00 0.44 H new ATOM 0 HG SER A 89 -6.875 6.065 -11.253 1.00 1.37 H new ATOM 1404 N TRP A 90 -9.174 3.962 -6.699 1.00 0.30 N ATOM 1405 CA TRP A 90 -9.208 2.787 -5.843 1.00 0.28 C ATOM 1406 C TRP A 90 -10.466 2.753 -4.974 1.00 0.32 C ATOM 1407 O TRP A 90 -10.598 1.893 -4.103 1.00 0.33 O ATOM 1408 CB TRP A 90 -7.958 2.762 -4.965 1.00 0.29 C ATOM 1409 CG TRP A 90 -6.702 3.092 -5.720 1.00 0.30 C ATOM 1410 CD1 TRP A 90 -5.918 4.196 -5.554 1.00 0.35 C ATOM 1411 CD2 TRP A 90 -6.100 2.329 -6.775 1.00 0.30 C ATOM 1412 NE1 TRP A 90 -4.860 4.162 -6.428 1.00 0.38 N ATOM 1413 CE2 TRP A 90 -4.950 3.025 -7.189 1.00 0.35 C ATOM 1414 CE3 TRP A 90 -6.422 1.121 -7.407 1.00 0.29 C ATOM 1415 CZ2 TRP A 90 -4.122 2.557 -8.207 1.00 0.39 C ATOM 1416 CZ3 TRP A 90 -5.598 0.656 -8.414 1.00 0.34 C ATOM 1417 CH2 TRP A 90 -4.459 1.371 -8.805 1.00 0.38 C ATOM 0 H TRP A 90 -9.266 4.850 -6.206 1.00 0.30 H new ATOM 0 HA TRP A 90 -9.230 1.903 -6.480 1.00 0.28 H new ATOM 0 HB2 TRP A 90 -8.081 3.473 -4.148 1.00 0.29 H new ATOM 0 HB3 TRP A 90 -7.856 1.774 -4.516 1.00 0.29 H new ATOM 0 HD1 TRP A 90 -6.103 4.983 -4.838 1.00 0.35 H new ATOM 0 HE1 TRP A 90 -4.127 4.867 -6.500 1.00 0.38 H new ATOM 0 HE3 TRP A 90 -7.299 0.563 -7.112 1.00 0.29 H new ATOM 0 HZ2 TRP A 90 -3.246 3.109 -8.514 1.00 0.39 H new ATOM 0 HZ3 TRP A 90 -5.836 -0.274 -8.908 1.00 0.34 H new ATOM 0 HH2 TRP A 90 -3.834 0.980 -9.594 1.00 0.38 H new ATOM 1428 N LYS A 91 -11.397 3.675 -5.223 1.00 0.37 N ATOM 1429 CA LYS A 91 -12.660 3.710 -4.483 1.00 0.43 C ATOM 1430 C LYS A 91 -13.443 2.391 -4.588 1.00 0.41 C ATOM 1431 O LYS A 91 -14.034 1.964 -3.598 1.00 0.42 O ATOM 1432 CB LYS A 91 -13.543 4.870 -4.943 1.00 0.55 C ATOM 1433 CG LYS A 91 -13.072 6.231 -4.459 1.00 1.20 C ATOM 1434 CD LYS A 91 -14.125 7.292 -4.725 1.00 1.38 C ATOM 1435 CE LYS A 91 -13.716 8.647 -4.176 1.00 1.83 C ATOM 1436 NZ LYS A 91 -12.502 9.179 -4.846 1.00 2.61 N ATOM 0 H LYS A 91 -11.301 4.405 -5.929 1.00 0.37 H new ATOM 0 HA LYS A 91 -12.392 3.857 -3.437 1.00 0.43 H new ATOM 0 HB2 LYS A 91 -13.580 4.876 -6.032 1.00 0.55 H new ATOM 0 HB3 LYS A 91 -14.560 4.702 -4.590 1.00 0.55 H new ATOM 0 HG2 LYS A 91 -12.855 6.187 -3.392 1.00 1.20 H new ATOM 0 HG3 LYS A 91 -12.143 6.500 -4.962 1.00 1.20 H new ATOM 0 HD2 LYS A 91 -14.296 7.372 -5.798 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -15.069 6.987 -4.273 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -14.538 9.352 -4.303 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -13.531 8.563 -3.105 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -12.327 10.153 -4.526 1.00 2.61 H new ATOM 0 HZ2 LYS A 91 -11.684 8.584 -4.606 1.00 2.61 H new ATOM 0 HZ3 LYS A 91 -12.643 9.173 -5.876 1.00 2.61 H new ATOM 1450 N PRO A 92 -13.491 1.726 -5.771 1.00 0.41 N ATOM 1451 CA PRO A 92 -14.135 0.409 -5.906 1.00 0.42 C ATOM 1452 C PRO A 92 -13.600 -0.629 -4.918 1.00 0.38 C ATOM 1453 O PRO A 92 -14.260 -1.636 -4.644 1.00 0.48 O ATOM 1454 CB PRO A 92 -13.817 -0.018 -7.349 1.00 0.46 C ATOM 1455 CG PRO A 92 -12.756 0.918 -7.815 1.00 0.69 C ATOM 1456 CD PRO A 92 -12.993 2.199 -7.074 1.00 0.43 C ATOM 0 HA PRO A 92 -15.201 0.475 -5.691 1.00 0.42 H new ATOM 0 HB2 PRO A 92 -13.473 -1.052 -7.386 1.00 0.46 H new ATOM 0 HB3 PRO A 92 -14.702 0.046 -7.982 1.00 0.46 H new ATOM 0 HG2 PRO A 92 -11.763 0.521 -7.604 1.00 0.69 H new ATOM 0 HG3 PRO A 92 -12.815 1.072 -8.892 1.00 0.69 H new ATOM 0 HD2 PRO A 92 -12.079 2.783 -6.971 1.00 0.43 H new ATOM 0 HD3 PRO A 92 -13.721 2.832 -7.581 1.00 0.43 H new ATOM 1464 N LEU A 93 -12.414 -0.378 -4.377 1.00 0.30 N ATOM 1465 CA LEU A 93 -11.782 -1.315 -3.462 1.00 0.26 C ATOM 1466 C LEU A 93 -11.974 -0.861 -2.028 1.00 0.22 C ATOM 1467 O LEU A 93 -12.373 -1.633 -1.158 1.00 0.21 O ATOM 1468 CB LEU A 93 -10.284 -1.393 -3.744 1.00 0.25 C ATOM 1469 CG LEU A 93 -9.900 -1.380 -5.216 1.00 0.25 C ATOM 1470 CD1 LEU A 93 -8.405 -1.152 -5.356 1.00 0.26 C ATOM 1471 CD2 LEU A 93 -10.307 -2.679 -5.895 1.00 0.26 C ATOM 0 H LEU A 93 -11.872 0.467 -4.557 1.00 0.30 H new ATOM 0 HA LEU A 93 -12.242 -2.293 -3.606 1.00 0.26 H new ATOM 0 HB2 LEU A 93 -9.793 -0.554 -3.250 1.00 0.25 H new ATOM 0 HB3 LEU A 93 -9.892 -2.304 -3.291 1.00 0.25 H new ATOM 0 HG LEU A 93 -10.431 -0.565 -5.707 1.00 0.25 H new ATOM 0 HD11 LEU A 93 -8.136 -1.144 -6.412 1.00 0.26 H new ATOM 0 HD12 LEU A 93 -8.139 -0.195 -4.906 1.00 0.26 H new ATOM 0 HD13 LEU A 93 -7.866 -1.953 -4.850 1.00 0.26 H new ATOM 0 HD21 LEU A 93 -10.022 -2.645 -6.946 1.00 0.26 H new ATOM 0 HD22 LEU A 93 -9.805 -3.516 -5.410 1.00 0.26 H new ATOM 0 HD23 LEU A 93 -11.386 -2.808 -5.816 1.00 0.26 H new ATOM 1483 N ILE A 94 -11.684 0.408 -1.798 1.00 0.27 N ATOM 1484 CA ILE A 94 -11.605 0.948 -0.455 1.00 0.22 C ATOM 1485 C ILE A 94 -12.750 1.901 -0.162 1.00 0.27 C ATOM 1486 O ILE A 94 -13.815 1.829 -0.773 1.00 0.36 O ATOM 1487 CB ILE A 94 -10.286 1.718 -0.267 1.00 0.25 C ATOM 1488 CG1 ILE A 94 -10.235 2.919 -1.208 1.00 0.39 C ATOM 1489 CG2 ILE A 94 -9.100 0.813 -0.523 1.00 0.27 C ATOM 1490 CD1 ILE A 94 -8.930 3.658 -1.147 1.00 0.75 C ATOM 0 H ILE A 94 -11.498 1.089 -2.534 1.00 0.27 H new ATOM 0 HA ILE A 94 -11.659 0.102 0.230 1.00 0.22 H new ATOM 0 HB ILE A 94 -10.240 2.072 0.763 1.00 0.25 H new ATOM 0 HG12 ILE A 94 -10.407 2.580 -2.230 1.00 0.39 H new ATOM 0 HG13 ILE A 94 -11.046 3.604 -0.958 1.00 0.39 H new ATOM 0 HG21 ILE A 94 -8.177 1.376 -0.385 1.00 0.27 H new ATOM 0 HG22 ILE A 94 -9.123 -0.023 0.176 1.00 0.27 H new ATOM 0 HG23 ILE A 94 -9.145 0.434 -1.544 1.00 0.27 H new ATOM 0 HD11 ILE A 94 -8.956 4.500 -1.838 1.00 0.75 H new ATOM 0 HD12 ILE A 94 -8.767 4.025 -0.134 1.00 0.75 H new ATOM 0 HD13 ILE A 94 -8.118 2.986 -1.425 1.00 0.75 H new ATOM 1502 N HIS A 95 -12.516 2.785 0.797 1.00 0.31 N ATOM 1503 CA HIS A 95 -13.440 3.860 1.085 1.00 0.43 C ATOM 1504 C HIS A 95 -13.205 5.027 0.114 1.00 0.39 C ATOM 1505 O HIS A 95 -13.771 5.024 -0.978 1.00 0.55 O ATOM 1506 CB HIS A 95 -13.377 4.278 2.569 1.00 0.64 C ATOM 1507 CG HIS A 95 -12.020 4.251 3.213 1.00 1.05 C ATOM 1508 ND1 HIS A 95 -11.338 5.380 3.594 1.00 2.01 N ATOM 1509 CD2 HIS A 95 -11.259 3.205 3.616 1.00 1.22 C ATOM 1510 CE1 HIS A 95 -10.218 5.030 4.199 1.00 2.24 C ATOM 1511 NE2 HIS A 95 -10.145 3.715 4.228 1.00 1.70 N ATOM 0 H HIS A 95 -11.686 2.774 1.390 1.00 0.31 H new ATOM 0 HA HIS A 95 -14.459 3.508 0.925 1.00 0.43 H new ATOM 0 HB2 HIS A 95 -13.777 5.288 2.657 1.00 0.64 H new ATOM 0 HB3 HIS A 95 -14.038 3.623 3.137 1.00 0.64 H new ATOM 0 HD1 HIS A 95 -11.648 6.339 3.435 1.00 2.01 H new ATOM 0 HD2 HIS A 95 -11.489 2.159 3.479 1.00 1.22 H new ATOM 0 HE1 HIS A 95 -9.483 5.710 4.604 1.00 2.24 H new ATOM 1520 N SER A 96 -12.371 6.004 0.469 1.00 0.41 N ATOM 1521 CA SER A 96 -12.023 7.074 -0.474 1.00 0.49 C ATOM 1522 C SER A 96 -10.691 7.729 -0.115 1.00 0.67 C ATOM 1523 O SER A 96 -9.753 7.722 -0.907 1.00 1.53 O ATOM 1524 CB SER A 96 -13.120 8.142 -0.517 1.00 0.51 C ATOM 1525 OG SER A 96 -14.353 7.607 -0.971 1.00 1.43 O ATOM 0 H SER A 96 -11.929 6.080 1.385 1.00 0.41 H new ATOM 0 HA SER A 96 -11.929 6.614 -1.458 1.00 0.49 H new ATOM 0 HB2 SER A 96 -13.252 8.569 0.477 1.00 0.51 H new ATOM 0 HB3 SER A 96 -12.811 8.955 -1.174 1.00 0.51 H new ATOM 0 HG SER A 96 -14.216 6.688 -1.284 1.00 1.43 H new ATOM 1531 N GLU A 97 -10.624 8.287 1.081 1.00 0.58 N ATOM 1532 CA GLU A 97 -9.459 9.021 1.539 1.00 0.52 C ATOM 1533 C GLU A 97 -9.317 8.741 3.034 1.00 0.61 C ATOM 1534 O GLU A 97 -9.809 7.722 3.494 1.00 0.83 O ATOM 1535 CB GLU A 97 -9.649 10.517 1.240 1.00 0.47 C ATOM 1536 CG GLU A 97 -8.431 11.386 1.517 1.00 1.09 C ATOM 1537 CD GLU A 97 -8.788 12.848 1.668 1.00 1.52 C ATOM 1538 OE1 GLU A 97 -8.962 13.540 0.645 1.00 1.89 O ATOM 1539 OE2 GLU A 97 -8.914 13.311 2.814 1.00 1.79 O ATOM 0 H GLU A 97 -11.380 8.243 1.764 1.00 0.58 H new ATOM 0 HA GLU A 97 -8.548 8.711 1.027 1.00 0.52 H new ATOM 0 HB2 GLU A 97 -9.927 10.631 0.192 1.00 0.47 H new ATOM 0 HB3 GLU A 97 -10.484 10.888 1.834 1.00 0.47 H new ATOM 0 HG2 GLU A 97 -7.940 11.039 2.426 1.00 1.09 H new ATOM 0 HG3 GLU A 97 -7.714 11.272 0.704 1.00 1.09 H new