USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 549 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 CYS SG : rot -151:sc= 0.528 USER MOD Set 1.2: A 60 CYS SG : rot -130:sc= -1.32 USER MOD Set 1.3: A 73 HIS : no HE2:sc= -4.45! X(o=-5.9!,f=-6) USER MOD Set 1.4: A 74 THR OG1 : rot 80:sc= 0.275 USER MOD Set 1.5: A 78 HIS : no HE2:sc= -0.929 K(o=-5.9,f=-7!) USER MOD Set 2.1: A 27 CYS SG : rot -145:sc= 0.0367 USER MOD Set 2.2: A 30 CYS SG : rot -89:sc= -0.141 USER MOD Set 2.3: A 44 HIS : no HD1:sc= -1.3 X(o=-1.7,f=-1.6) USER MOD Set 2.4: A 48 CYS SG : rot 10:sc= 0.103 USER MOD Set 2.5: A 52 GLN : amide:sc= -0.408 K(o=-1.7,f=-8.7!) USER MOD Single : A 14 GLN : amide:sc= -0.0594 K(o=-0.059,f=-0.62) USER MOD Single : A 16 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.3!) USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.523 F(o=-1.6,f=-0.52) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN :FLIP amide:sc= -1.61 F(o=-2.3,f=-1.6) USER MOD Single : A 34 THR OG1 : rot -160:sc= -0.249 USER MOD Single : A 36 LYS NZ :NH3+ 159:sc= -0.0324 (180deg=-0.367) USER MOD Single : A 37 THR OG1 : rot 9:sc= 0.589 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -110:sc= -2.37! (180deg=-2.47) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.056 X(o=-0.056,f=-0.069) USER MOD Single : A 62 LYS NZ :NH3+ -168:sc=-0.00552 (180deg=-0.126) USER MOD Single : A 63 GLN : amide:sc= -2.11 K(o=-2.1,f=-4.6!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 156:sc= -0.0778 (180deg=-0.552) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.462 F(o=-1.1,f=-0.46) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -154:sc= -0.278 (180deg=-1.23) USER MOD ----------------------------------------------------------------- ATOM 94 N PRO A 11 -4.135 15.374 -8.347 1.00 0.00 N ATOM 95 CA PRO A 11 -2.721 15.135 -8.045 1.00 0.00 C ATOM 96 C PRO A 11 -1.792 15.794 -9.059 1.00 0.00 C ATOM 97 O PRO A 11 -1.433 15.191 -10.069 1.00 0.00 O ATOM 98 CB PRO A 11 -2.596 13.611 -8.118 1.00 0.00 C ATOM 99 CG PRO A 11 -3.696 13.184 -9.027 1.00 0.00 C ATOM 100 CD PRO A 11 -4.823 14.153 -8.798 1.00 0.00 C ATOM 0 HA PRO A 11 -2.434 15.555 -7.081 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.623 13.312 -8.507 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.699 13.158 -7.132 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.371 13.202 -10.067 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.009 12.163 -8.808 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.395 14.327 -9.709 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.523 13.785 -8.048 1.00 0.00 H new ATOM 108 N GLU A 12 -1.407 17.036 -8.781 1.00 0.00 N ATOM 109 CA GLU A 12 -0.519 17.776 -9.670 1.00 0.00 C ATOM 110 C GLU A 12 0.591 18.465 -8.881 1.00 0.00 C ATOM 111 O GLU A 12 0.904 19.631 -9.121 1.00 0.00 O ATOM 112 CB GLU A 12 -1.311 18.814 -10.469 1.00 0.00 C ATOM 113 CG GLU A 12 -2.446 18.217 -11.285 1.00 0.00 C ATOM 114 CD GLU A 12 -1.951 17.318 -12.401 1.00 0.00 C ATOM 115 OE1 GLU A 12 -0.720 17.143 -12.520 1.00 0.00 O ATOM 116 OE2 GLU A 12 -2.794 16.789 -13.156 1.00 0.00 O ATOM 0 H GLU A 12 -1.696 17.550 -7.949 1.00 0.00 H new ATOM 0 HA GLU A 12 -0.063 17.066 -10.360 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.719 19.555 -9.782 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.631 19.341 -11.139 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.101 17.646 -10.627 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.045 19.022 -11.710 1.00 0.00 H new ATOM 123 N GLU A 13 1.179 17.735 -7.939 1.00 0.00 N ATOM 124 CA GLU A 13 2.253 18.276 -7.114 1.00 0.00 C ATOM 125 C GLU A 13 3.618 17.902 -7.683 1.00 0.00 C ATOM 126 O GLU A 13 4.418 18.772 -8.028 1.00 0.00 O ATOM 127 CB GLU A 13 2.130 17.764 -5.677 1.00 0.00 C ATOM 128 CG GLU A 13 0.963 18.368 -4.914 1.00 0.00 C ATOM 129 CD GLU A 13 -0.354 17.683 -5.224 1.00 0.00 C ATOM 130 OE1 GLU A 13 -0.419 16.441 -5.108 1.00 0.00 O ATOM 131 OE2 GLU A 13 -1.319 18.389 -5.583 1.00 0.00 O ATOM 0 H GLU A 13 0.930 16.769 -7.728 1.00 0.00 H new ATOM 0 HA GLU A 13 2.164 19.362 -7.114 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.020 16.680 -5.695 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.055 17.982 -5.142 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.160 18.301 -3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.884 19.427 -5.158 1.00 0.00 H new ATOM 138 N GLN A 14 3.877 16.602 -7.779 1.00 0.00 N ATOM 139 CA GLN A 14 5.146 16.112 -8.305 1.00 0.00 C ATOM 140 C GLN A 14 5.250 16.374 -9.804 1.00 0.00 C ATOM 141 O GLN A 14 6.271 16.862 -10.289 1.00 0.00 O ATOM 142 CB GLN A 14 5.295 14.616 -8.024 1.00 0.00 C ATOM 143 CG GLN A 14 5.971 14.311 -6.697 1.00 0.00 C ATOM 144 CD GLN A 14 7.481 14.249 -6.812 1.00 0.00 C ATOM 145 OE1 GLN A 14 8.021 13.662 -7.751 1.00 0.00 O ATOM 146 NE2 GLN A 14 8.174 14.855 -5.855 1.00 0.00 N ATOM 0 H GLN A 14 3.225 15.869 -7.499 1.00 0.00 H new ATOM 0 HA GLN A 14 5.951 16.650 -7.804 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.308 14.153 -8.035 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.871 14.159 -8.829 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.697 15.075 -5.970 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.600 13.360 -6.315 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.687 15.330 -5.095 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.194 14.846 -5.880 1.00 0.00 H new ATOM 155 N TRP A 15 4.190 16.045 -10.532 1.00 0.00 N ATOM 156 CA TRP A 15 4.163 16.243 -11.977 1.00 0.00 C ATOM 157 C TRP A 15 4.445 17.699 -12.331 1.00 0.00 C ATOM 158 O TRP A 15 5.198 17.985 -13.262 1.00 0.00 O ATOM 159 CB TRP A 15 2.807 15.821 -12.545 1.00 0.00 C ATOM 160 CG TRP A 15 2.601 14.337 -12.549 1.00 0.00 C ATOM 161 CD1 TRP A 15 3.549 13.378 -12.769 1.00 0.00 C ATOM 162 CD2 TRP A 15 1.369 13.642 -12.325 1.00 0.00 C ATOM 163 NE1 TRP A 15 2.980 12.129 -12.695 1.00 0.00 N ATOM 164 CE2 TRP A 15 1.645 12.264 -12.422 1.00 0.00 C ATOM 165 CE3 TRP A 15 0.061 14.049 -12.049 1.00 0.00 C ATOM 166 CZ2 TRP A 15 0.659 11.295 -12.255 1.00 0.00 C ATOM 167 CZ3 TRP A 15 -0.916 13.086 -11.883 1.00 0.00 C ATOM 168 CH2 TRP A 15 -0.613 11.722 -11.986 1.00 0.00 C ATOM 0 H TRP A 15 3.337 15.640 -10.146 1.00 0.00 H new ATOM 0 HA TRP A 15 4.943 15.623 -12.419 1.00 0.00 H new ATOM 0 HB2 TRP A 15 2.015 16.289 -11.961 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.715 16.196 -13.564 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.592 13.573 -12.971 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.472 11.245 -12.823 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -0.182 15.098 -11.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.890 10.243 -12.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -1.930 13.390 -11.670 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -1.399 10.993 -11.850 1.00 0.00 H new ATOM 179 N GLN A 16 3.838 18.615 -11.583 1.00 0.00 N ATOM 180 CA GLN A 16 4.025 20.041 -11.820 1.00 0.00 C ATOM 181 C GLN A 16 5.457 20.462 -11.507 1.00 0.00 C ATOM 182 O GLN A 16 5.948 21.463 -12.029 1.00 0.00 O ATOM 183 CB GLN A 16 3.045 20.854 -10.972 1.00 0.00 C ATOM 184 CG GLN A 16 1.726 21.139 -11.672 1.00 0.00 C ATOM 185 CD GLN A 16 1.091 22.437 -11.213 1.00 0.00 C ATOM 186 OE1 GLN A 16 1.786 23.404 -10.898 1.00 0.00 O ATOM 187 NE2 GLN A 16 -0.236 22.466 -11.173 1.00 0.00 N ATOM 0 H GLN A 16 3.213 18.395 -10.808 1.00 0.00 H new ATOM 0 HA GLN A 16 3.830 20.236 -12.875 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.846 20.316 -10.045 1.00 0.00 H new ATOM 0 HB3 GLN A 16 3.513 21.799 -10.697 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.892 21.181 -12.749 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.036 20.316 -11.487 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.772 21.642 -11.443 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.719 23.313 -10.872 1.00 0.00 H new ATOM 196 N ARG A 17 6.121 19.691 -10.652 1.00 0.00 N ATOM 197 CA ARG A 17 7.497 19.984 -10.269 1.00 0.00 C ATOM 198 C ARG A 17 8.479 19.415 -11.288 1.00 0.00 C ATOM 199 O ARG A 17 9.477 20.050 -11.625 1.00 0.00 O ATOM 200 CB ARG A 17 7.795 19.412 -8.882 1.00 0.00 C ATOM 201 CG ARG A 17 9.233 18.951 -8.709 1.00 0.00 C ATOM 202 CD ARG A 17 9.695 19.093 -7.267 1.00 0.00 C ATOM 203 NE ARG A 17 11.151 19.090 -7.156 1.00 0.00 N ATOM 204 CZ ARG A 17 11.802 18.753 -6.048 1.00 0.00 C ATOM 205 NH1 ARG A 17 11.130 18.393 -4.964 1.00 0.00 N ATOM 206 NH2 ARG A 17 13.129 18.776 -6.025 1.00 0.00 N ATOM 0 H ARG A 17 5.728 18.859 -10.211 1.00 0.00 H new ATOM 0 HA ARG A 17 7.617 21.067 -10.242 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.572 20.169 -8.130 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.128 18.571 -8.694 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.322 17.910 -9.020 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.884 19.535 -9.360 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.302 20.020 -6.850 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.284 18.277 -6.673 1.00 0.00 H new ATOM 0 HE ARG A 17 11.698 19.361 -7.973 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.110 18.374 -4.979 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.633 18.135 -4.115 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.649 19.052 -6.858 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.629 18.517 -5.174 1.00 0.00 H new ATOM 220 N ALA A 18 8.189 18.212 -11.774 1.00 0.00 N ATOM 221 CA ALA A 18 9.045 17.558 -12.755 1.00 0.00 C ATOM 222 C ALA A 18 8.848 18.158 -14.143 1.00 0.00 C ATOM 223 O ALA A 18 9.740 18.094 -14.990 1.00 0.00 O ATOM 224 CB ALA A 18 8.770 16.062 -12.781 1.00 0.00 C ATOM 0 H ALA A 18 7.368 17.671 -11.504 1.00 0.00 H new ATOM 0 HA ALA A 18 10.082 17.721 -12.462 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.416 15.586 -13.518 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.969 15.638 -11.797 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.727 15.888 -13.047 1.00 0.00 H new ATOM 230 N ILE A 19 7.674 18.739 -14.370 1.00 0.00 N ATOM 231 CA ILE A 19 7.362 19.351 -15.656 1.00 0.00 C ATOM 232 C ILE A 19 8.257 20.556 -15.924 1.00 0.00 C ATOM 233 O ILE A 19 8.932 20.625 -16.951 1.00 0.00 O ATOM 234 CB ILE A 19 5.888 19.794 -15.724 1.00 0.00 C ATOM 235 CG1 ILE A 19 4.987 18.598 -16.034 1.00 0.00 C ATOM 236 CG2 ILE A 19 5.711 20.883 -16.772 1.00 0.00 C ATOM 237 CD1 ILE A 19 3.525 18.850 -15.738 1.00 0.00 C ATOM 0 H ILE A 19 6.924 18.799 -13.681 1.00 0.00 H new ATOM 0 HA ILE A 19 7.541 18.593 -16.419 1.00 0.00 H new ATOM 0 HB ILE A 19 5.600 20.199 -14.754 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.096 18.334 -17.086 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.324 17.739 -15.453 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.665 21.186 -16.809 1.00 0.00 H new ATOM 0 HG22 ILE A 19 6.329 21.742 -16.512 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.013 20.502 -17.748 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.946 17.959 -15.982 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.403 19.084 -14.680 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.171 19.688 -16.338 1.00 0.00 H new ATOM 249 N HIS A 20 8.258 21.504 -14.992 1.00 0.00 N ATOM 250 CA HIS A 20 9.072 22.707 -15.126 1.00 0.00 C ATOM 251 C HIS A 20 10.553 22.382 -14.953 1.00 0.00 C ATOM 252 O HIS A 20 11.410 22.991 -15.593 1.00 0.00 O ATOM 253 CB HIS A 20 8.644 23.755 -14.099 1.00 0.00 C ATOM 254 CG HIS A 20 9.422 23.693 -12.820 1.00 0.00 C ATOM 255 ND1 HIS A 20 9.309 22.866 -11.755 1.00 0.00 N flip ATOM 256 CD2 HIS A 20 10.457 24.556 -12.526 1.00 0.00 C flip ATOM 257 CE1 HIS A 20 10.269 23.239 -10.847 1.00 0.00 C flip ATOM 258 NE2 HIS A 20 10.948 24.260 -11.336 1.00 0.00 N flip ATOM 0 H HIS A 20 7.705 21.462 -14.136 1.00 0.00 H new ATOM 0 HA HIS A 20 8.921 23.109 -16.128 1.00 0.00 H new ATOM 0 HB2 HIS A 20 8.757 24.747 -14.536 1.00 0.00 H new ATOM 0 HB3 HIS A 20 7.585 23.623 -13.877 1.00 0.00 H new ATOM 0 HD2 HIS A 20 10.810 25.349 -13.168 1.00 0.00 H new ATOM 0 HE1 HIS A 20 10.441 22.773 -9.888 1.00 0.00 H new ATOM 0 HE2 HIS A 20 11.721 24.739 -10.873 1.00 0.00 H new ATOM 266 N GLU A 21 10.845 21.421 -14.083 1.00 0.00 N ATOM 267 CA GLU A 21 12.223 21.018 -13.825 1.00 0.00 C ATOM 268 C GLU A 21 12.898 20.538 -15.107 1.00 0.00 C ATOM 269 O GLU A 21 13.941 21.058 -15.503 1.00 0.00 O ATOM 270 CB GLU A 21 12.265 19.912 -12.769 1.00 0.00 C ATOM 271 CG GLU A 21 12.434 20.430 -11.351 1.00 0.00 C ATOM 272 CD GLU A 21 13.062 19.406 -10.426 1.00 0.00 C ATOM 273 OE1 GLU A 21 12.390 18.402 -10.110 1.00 0.00 O ATOM 274 OE2 GLU A 21 14.225 19.609 -10.018 1.00 0.00 O ATOM 0 H GLU A 21 10.147 20.907 -13.545 1.00 0.00 H new ATOM 0 HA GLU A 21 12.765 21.887 -13.452 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.345 19.331 -12.827 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.086 19.233 -12.999 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.053 21.327 -11.367 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.461 20.722 -10.956 1.00 0.00 H new ATOM 281 N ARG A 22 12.295 19.542 -15.749 1.00 0.00 N ATOM 282 CA ARG A 22 12.839 18.991 -16.984 1.00 0.00 C ATOM 283 C ARG A 22 12.144 19.594 -18.201 1.00 0.00 C ATOM 284 O ARG A 22 12.765 20.292 -19.002 1.00 0.00 O ATOM 285 CB ARG A 22 12.686 17.469 -16.999 1.00 0.00 C ATOM 286 CG ARG A 22 13.699 16.746 -16.126 1.00 0.00 C ATOM 287 CD ARG A 22 13.362 15.270 -15.986 1.00 0.00 C ATOM 288 NE ARG A 22 14.550 14.459 -15.730 1.00 0.00 N ATOM 289 CZ ARG A 22 14.511 13.257 -15.166 1.00 0.00 C ATOM 290 NH1 ARG A 22 13.351 12.729 -14.802 1.00 0.00 N ATOM 291 NH2 ARG A 22 15.635 12.581 -14.966 1.00 0.00 N ATOM 0 H ARG A 22 11.431 19.101 -15.434 1.00 0.00 H new ATOM 0 HA ARG A 22 13.898 19.244 -17.029 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.681 17.210 -16.665 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.783 17.113 -18.025 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.694 16.854 -16.557 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.727 17.209 -15.140 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.650 15.136 -15.172 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.874 14.922 -16.896 1.00 0.00 H new ATOM 0 HE ARG A 22 15.459 14.836 -15.999 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.485 13.246 -14.955 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.324 11.806 -14.369 1.00 0.00 H new ATOM 0 HH21 ARG A 22 16.529 12.984 -15.245 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.605 11.658 -14.533 1.00 0.00 H new ATOM 305 N GLY A 23 10.849 19.319 -18.334 1.00 0.00 N ATOM 306 CA GLY A 23 10.091 19.842 -19.456 1.00 0.00 C ATOM 307 C GLY A 23 8.651 19.370 -19.452 1.00 0.00 C ATOM 308 O GLY A 23 7.732 20.160 -19.668 1.00 0.00 O ATOM 0 H GLY A 23 10.312 18.744 -17.685 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.113 20.931 -19.429 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.568 19.536 -20.387 1.00 0.00 H new ATOM 312 N GLU A 24 8.453 18.079 -19.207 1.00 0.00 N ATOM 313 CA GLU A 24 7.113 17.503 -19.179 1.00 0.00 C ATOM 314 C GLU A 24 7.130 16.117 -18.541 1.00 0.00 C ATOM 315 O GLU A 24 8.151 15.430 -18.551 1.00 0.00 O ATOM 316 CB GLU A 24 6.541 17.419 -20.596 1.00 0.00 C ATOM 317 CG GLU A 24 7.195 16.349 -21.453 1.00 0.00 C ATOM 318 CD GLU A 24 6.794 16.445 -22.913 1.00 0.00 C ATOM 319 OE1 GLU A 24 7.047 17.502 -23.528 1.00 0.00 O ATOM 320 OE2 GLU A 24 6.229 15.464 -23.439 1.00 0.00 O ATOM 0 H GLU A 24 9.203 17.412 -19.025 1.00 0.00 H new ATOM 0 HA GLU A 24 6.478 18.153 -18.577 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.471 17.221 -20.536 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.659 18.386 -21.084 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.278 16.435 -21.371 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.924 15.365 -21.069 1.00 0.00 H new ATOM 327 N ALA A 25 5.991 15.714 -17.988 1.00 0.00 N ATOM 328 CA ALA A 25 5.873 14.410 -17.347 1.00 0.00 C ATOM 329 C ALA A 25 5.065 13.446 -18.208 1.00 0.00 C ATOM 330 O ALA A 25 3.856 13.297 -18.025 1.00 0.00 O ATOM 331 CB ALA A 25 5.237 14.553 -15.972 1.00 0.00 C ATOM 0 H ALA A 25 5.137 16.271 -17.971 1.00 0.00 H new ATOM 0 HA ALA A 25 6.876 13.998 -17.230 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.155 13.571 -15.505 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.856 15.200 -15.350 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.244 14.990 -16.074 1.00 0.00 H new ATOM 337 N VAL A 26 5.739 12.792 -19.149 1.00 0.00 N ATOM 338 CA VAL A 26 5.083 11.842 -20.039 1.00 0.00 C ATOM 339 C VAL A 26 4.651 10.590 -19.284 1.00 0.00 C ATOM 340 O VAL A 26 5.165 10.294 -18.205 1.00 0.00 O ATOM 341 CB VAL A 26 6.005 11.434 -21.203 1.00 0.00 C ATOM 342 CG1 VAL A 26 6.371 12.646 -22.045 1.00 0.00 C ATOM 343 CG2 VAL A 26 7.254 10.744 -20.676 1.00 0.00 C ATOM 0 H VAL A 26 6.739 12.903 -19.314 1.00 0.00 H new ATOM 0 HA VAL A 26 4.202 12.342 -20.442 1.00 0.00 H new ATOM 0 HB VAL A 26 5.469 10.729 -21.838 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.023 12.338 -22.862 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.464 13.093 -22.453 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.889 13.377 -21.424 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.894 10.462 -21.512 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.795 11.424 -20.018 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.969 9.851 -20.120 1.00 0.00 H new ATOM 353 N CYS A 27 3.703 9.856 -19.858 1.00 0.00 N ATOM 354 CA CYS A 27 3.201 8.635 -19.241 1.00 0.00 C ATOM 355 C CYS A 27 4.352 7.722 -18.827 1.00 0.00 C ATOM 356 O CYS A 27 5.136 7.256 -19.654 1.00 0.00 O ATOM 357 CB CYS A 27 2.271 7.896 -20.205 1.00 0.00 C ATOM 358 SG CYS A 27 1.221 6.639 -19.408 1.00 0.00 S ATOM 0 H CYS A 27 3.267 10.087 -20.751 1.00 0.00 H new ATOM 0 HA CYS A 27 2.641 8.913 -18.348 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.632 8.623 -20.706 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.872 7.415 -20.977 1.00 0.00 H new ATOM 0 HG CYS A 27 1.063 5.631 -20.214 1.00 0.00 H new ATOM 363 N PRO A 28 4.457 7.460 -17.515 1.00 0.00 N ATOM 364 CA PRO A 28 5.507 6.601 -16.961 1.00 0.00 C ATOM 365 C PRO A 28 5.317 5.136 -17.338 1.00 0.00 C ATOM 366 O PRO A 28 6.017 4.257 -16.834 1.00 0.00 O ATOM 367 CB PRO A 28 5.358 6.788 -15.449 1.00 0.00 C ATOM 368 CG PRO A 28 3.935 7.183 -15.256 1.00 0.00 C ATOM 369 CD PRO A 28 3.558 7.982 -16.473 1.00 0.00 C ATOM 0 HA PRO A 28 6.493 6.866 -17.342 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.590 5.869 -14.911 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.036 7.555 -15.076 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.297 6.305 -15.152 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.814 7.774 -14.348 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.510 7.840 -16.738 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.705 9.050 -16.314 1.00 0.00 H new ATOM 377 N THR A 29 4.365 4.878 -18.230 1.00 0.00 N ATOM 378 CA THR A 29 4.082 3.519 -18.675 1.00 0.00 C ATOM 379 C THR A 29 4.513 3.313 -20.122 1.00 0.00 C ATOM 380 O THR A 29 5.108 2.290 -20.464 1.00 0.00 O ATOM 381 CB THR A 29 2.584 3.186 -18.545 1.00 0.00 C ATOM 382 OG1 THR A 29 2.174 3.301 -17.178 1.00 0.00 O ATOM 383 CG2 THR A 29 2.297 1.780 -19.049 1.00 0.00 C ATOM 0 H THR A 29 3.777 5.593 -18.658 1.00 0.00 H new ATOM 0 HA THR A 29 4.653 2.850 -18.030 1.00 0.00 H new ATOM 0 HB THR A 29 2.022 3.895 -19.153 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.220 3.089 -17.104 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.233 1.567 -18.947 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.584 1.704 -20.098 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.869 1.060 -18.464 1.00 0.00 H new ATOM 391 N CYS A 30 4.211 4.291 -20.969 1.00 0.00 N ATOM 392 CA CYS A 30 4.568 4.218 -22.381 1.00 0.00 C ATOM 393 C CYS A 30 5.359 5.451 -22.807 1.00 0.00 C ATOM 394 O CYS A 30 6.146 5.400 -23.751 1.00 0.00 O ATOM 395 CB CYS A 30 3.309 4.084 -23.240 1.00 0.00 C ATOM 396 SG CYS A 30 1.876 5.018 -22.610 1.00 0.00 S ATOM 0 H CYS A 30 3.720 5.144 -20.702 1.00 0.00 H new ATOM 0 HA CYS A 30 5.195 3.338 -22.527 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.534 4.423 -24.251 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.040 3.030 -23.310 1.00 0.00 H new ATOM 0 HG CYS A 30 1.202 4.274 -21.784 1.00 0.00 H new ATOM 401 N ASN A 31 5.144 6.557 -22.103 1.00 0.00 N ATOM 402 CA ASN A 31 5.837 7.804 -22.408 1.00 0.00 C ATOM 403 C ASN A 31 5.277 8.442 -23.676 1.00 0.00 C ATOM 404 O ASN A 31 6.021 8.990 -24.489 1.00 0.00 O ATOM 405 CB ASN A 31 7.337 7.552 -22.571 1.00 0.00 C ATOM 406 CG ASN A 31 7.868 6.551 -21.562 1.00 0.00 C ATOM 407 OD1 ASN A 31 8.991 5.922 -21.887 1.00 0.00 O flip ATOM 408 ND2 ASN A 31 7.274 6.347 -20.503 1.00 0.00 N flip ATOM 0 H ASN A 31 4.496 6.616 -21.318 1.00 0.00 H new ATOM 0 HA ASN A 31 5.679 8.491 -21.576 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.534 7.187 -23.579 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.875 8.494 -22.462 1.00 0.00 H new ATOM 0 HD21 ASN A 31 6.414 6.854 -20.295 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.642 5.671 -19.834 1.00 0.00 H new ATOM 415 N VAL A 32 3.960 8.366 -23.838 1.00 0.00 N ATOM 416 CA VAL A 32 3.299 8.936 -25.006 1.00 0.00 C ATOM 417 C VAL A 32 1.941 9.524 -24.636 1.00 0.00 C ATOM 418 O VAL A 32 1.009 8.796 -24.297 1.00 0.00 O ATOM 419 CB VAL A 32 3.106 7.882 -26.112 1.00 0.00 C ATOM 420 CG1 VAL A 32 4.440 7.525 -26.748 1.00 0.00 C ATOM 421 CG2 VAL A 32 2.423 6.643 -25.554 1.00 0.00 C ATOM 0 H VAL A 32 3.330 7.915 -23.175 1.00 0.00 H new ATOM 0 HA VAL A 32 3.946 9.730 -25.380 1.00 0.00 H new ATOM 0 HB VAL A 32 2.464 8.305 -26.885 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.284 6.779 -27.527 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.885 8.419 -27.185 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.109 7.121 -25.988 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.295 5.909 -26.349 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.036 6.215 -24.761 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.448 6.916 -25.151 1.00 0.00 H new ATOM 431 N VAL A 33 1.837 10.847 -24.704 1.00 0.00 N ATOM 432 CA VAL A 33 0.593 11.534 -24.379 1.00 0.00 C ATOM 433 C VAL A 33 0.644 12.996 -24.808 1.00 0.00 C ATOM 434 O VAL A 33 1.607 13.438 -25.435 1.00 0.00 O ATOM 435 CB VAL A 33 0.292 11.464 -22.870 1.00 0.00 C ATOM 436 CG1 VAL A 33 -0.635 10.298 -22.564 1.00 0.00 C ATOM 437 CG2 VAL A 33 1.583 11.353 -22.074 1.00 0.00 C ATOM 0 H VAL A 33 2.600 11.465 -24.981 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.202 11.026 -24.925 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.212 12.384 -22.575 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.836 10.265 -21.493 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.572 10.426 -23.106 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.162 9.366 -22.873 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.351 11.305 -21.010 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.117 10.450 -22.371 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.207 12.225 -22.270 1.00 0.00 H new ATOM 447 N THR A 34 -0.401 13.744 -24.467 1.00 0.00 N ATOM 448 CA THR A 34 -0.476 15.157 -24.817 1.00 0.00 C ATOM 449 C THR A 34 0.809 15.886 -24.443 1.00 0.00 C ATOM 450 O THR A 34 1.512 15.487 -23.515 1.00 0.00 O ATOM 451 CB THR A 34 -1.665 15.846 -24.121 1.00 0.00 C ATOM 452 OG1 THR A 34 -2.779 14.949 -24.051 1.00 0.00 O ATOM 453 CG2 THR A 34 -2.071 17.109 -24.865 1.00 0.00 C ATOM 0 H THR A 34 -1.207 13.395 -23.949 1.00 0.00 H new ATOM 0 HA THR A 34 -0.617 15.207 -25.897 1.00 0.00 H new ATOM 0 HB THR A 34 -1.356 16.121 -23.112 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.603 15.461 -23.911 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.912 17.578 -24.354 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.230 17.802 -24.891 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.362 16.853 -25.884 1.00 0.00 H new ATOM 461 N ARG A 35 1.110 16.956 -25.171 1.00 0.00 N ATOM 462 CA ARG A 35 2.312 17.741 -24.915 1.00 0.00 C ATOM 463 C ARG A 35 2.454 18.048 -23.427 1.00 0.00 C ATOM 464 O ARG A 35 3.438 17.665 -22.794 1.00 0.00 O ATOM 465 CB ARG A 35 2.276 19.044 -25.715 1.00 0.00 C ATOM 466 CG ARG A 35 2.652 18.872 -27.177 1.00 0.00 C ATOM 467 CD ARG A 35 2.792 20.215 -27.879 1.00 0.00 C ATOM 468 NE ARG A 35 2.819 20.073 -29.332 1.00 0.00 N ATOM 469 CZ ARG A 35 3.335 20.984 -30.149 1.00 0.00 C ATOM 470 NH1 ARG A 35 3.863 22.097 -29.659 1.00 0.00 N ATOM 471 NH2 ARG A 35 3.323 20.783 -31.461 1.00 0.00 N ATOM 0 H ARG A 35 0.538 17.299 -25.943 1.00 0.00 H new ATOM 0 HA ARG A 35 3.174 17.153 -25.231 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.275 19.470 -25.654 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.956 19.761 -25.256 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.591 18.323 -27.250 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.893 18.274 -27.681 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.962 20.862 -27.593 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.707 20.705 -27.546 1.00 0.00 H new ATOM 0 HE ARG A 35 2.420 19.228 -29.742 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.874 22.256 -28.651 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.258 22.794 -30.290 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.917 19.928 -31.842 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.719 21.483 -32.088 1.00 0.00 H new ATOM 485 N LYS A 36 1.465 18.744 -22.875 1.00 0.00 N ATOM 486 CA LYS A 36 1.478 19.103 -21.462 1.00 0.00 C ATOM 487 C LYS A 36 1.455 17.856 -20.584 1.00 0.00 C ATOM 488 O LYS A 36 1.821 17.904 -19.409 1.00 0.00 O ATOM 489 CB LYS A 36 0.280 19.996 -21.131 1.00 0.00 C ATOM 490 CG LYS A 36 0.463 21.442 -21.558 1.00 0.00 C ATOM 491 CD LYS A 36 -0.662 22.323 -21.041 1.00 0.00 C ATOM 492 CE LYS A 36 -0.683 23.671 -21.745 1.00 0.00 C ATOM 493 NZ LYS A 36 -1.047 23.540 -23.183 1.00 0.00 N ATOM 0 H LYS A 36 0.644 19.071 -23.385 1.00 0.00 H new ATOM 0 HA LYS A 36 2.398 19.651 -21.260 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.609 19.592 -21.616 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.099 19.963 -20.057 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.418 21.814 -21.186 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.500 21.499 -22.646 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.617 21.819 -21.189 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.544 22.474 -19.968 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.396 24.329 -21.248 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.297 24.141 -21.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.395 24.454 -23.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.209 23.253 -23.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.791 22.821 -23.289 1.00 0.00 H new ATOM 507 N THR A 37 1.023 16.739 -21.161 1.00 0.00 N ATOM 508 CA THR A 37 0.952 15.480 -20.430 1.00 0.00 C ATOM 509 C THR A 37 0.222 15.654 -19.103 1.00 0.00 C ATOM 510 O THR A 37 0.642 15.117 -18.077 1.00 0.00 O ATOM 511 CB THR A 37 2.356 14.907 -20.160 1.00 0.00 C ATOM 512 OG1 THR A 37 3.092 15.795 -19.311 1.00 0.00 O ATOM 513 CG2 THR A 37 3.115 14.698 -21.461 1.00 0.00 C ATOM 0 H THR A 37 0.717 16.681 -22.132 1.00 0.00 H new ATOM 0 HA THR A 37 0.397 14.782 -21.057 1.00 0.00 H new ATOM 0 HB THR A 37 2.241 13.942 -19.666 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.494 16.493 -18.971 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.103 14.293 -21.245 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.567 14.000 -22.094 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.219 15.652 -21.979 1.00 0.00 H new ATOM 521 N LEU A 38 -0.872 16.406 -19.130 1.00 0.00 N ATOM 522 CA LEU A 38 -1.662 16.651 -17.928 1.00 0.00 C ATOM 523 C LEU A 38 -3.147 16.436 -18.199 1.00 0.00 C ATOM 524 O LEU A 38 -3.787 15.588 -17.576 1.00 0.00 O ATOM 525 CB LEU A 38 -1.425 18.074 -17.419 1.00 0.00 C ATOM 526 CG LEU A 38 -0.315 18.240 -16.381 1.00 0.00 C ATOM 527 CD1 LEU A 38 -0.050 19.713 -16.113 1.00 0.00 C ATOM 528 CD2 LEU A 38 -0.678 17.518 -15.091 1.00 0.00 C ATOM 0 H LEU A 38 -1.233 16.857 -19.971 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.345 15.941 -17.164 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.194 18.710 -18.273 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.356 18.444 -16.989 1.00 0.00 H new ATOM 0 HG LEU A 38 0.597 17.795 -16.779 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.743 19.811 -15.372 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.256 20.202 -17.038 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.958 20.184 -15.737 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.124 17.647 -14.364 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.602 17.933 -14.689 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.816 16.456 -15.295 1.00 0.00 H new ATOM 540 N VAL A 39 -3.690 17.209 -19.134 1.00 0.00 N ATOM 541 CA VAL A 39 -5.100 17.101 -19.491 1.00 0.00 C ATOM 542 C VAL A 39 -5.411 15.737 -20.096 1.00 0.00 C ATOM 543 O VAL A 39 -6.497 15.192 -19.900 1.00 0.00 O ATOM 544 CB VAL A 39 -5.512 18.199 -20.489 1.00 0.00 C ATOM 545 CG1 VAL A 39 -5.182 19.577 -19.935 1.00 0.00 C ATOM 546 CG2 VAL A 39 -4.832 17.979 -21.833 1.00 0.00 C ATOM 0 H VAL A 39 -3.175 17.917 -19.658 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.670 17.225 -18.570 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.590 18.143 -20.639 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.480 20.339 -20.654 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.719 19.731 -18.999 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.110 19.649 -19.754 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.134 18.764 -22.526 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.750 18.007 -21.702 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.124 17.008 -22.234 1.00 0.00 H new ATOM 556 N GLY A 40 -4.449 15.189 -20.832 1.00 0.00 N ATOM 557 CA GLY A 40 -4.640 13.892 -21.455 1.00 0.00 C ATOM 558 C GLY A 40 -3.977 12.772 -20.676 1.00 0.00 C ATOM 559 O GLY A 40 -4.399 11.618 -20.754 1.00 0.00 O ATOM 0 H GLY A 40 -3.541 15.620 -21.008 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.707 13.688 -21.542 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.236 13.915 -22.467 1.00 0.00 H new ATOM 563 N LEU A 41 -2.936 13.112 -19.925 1.00 0.00 N ATOM 564 CA LEU A 41 -2.212 12.126 -19.130 1.00 0.00 C ATOM 565 C LEU A 41 -3.137 11.457 -18.118 1.00 0.00 C ATOM 566 O LEU A 41 -3.034 10.257 -17.865 1.00 0.00 O ATOM 567 CB LEU A 41 -1.039 12.789 -18.405 1.00 0.00 C ATOM 568 CG LEU A 41 -0.520 12.062 -17.164 1.00 0.00 C ATOM 569 CD1 LEU A 41 0.524 11.026 -17.550 1.00 0.00 C ATOM 570 CD2 LEU A 41 0.055 13.055 -16.165 1.00 0.00 C ATOM 0 H LEU A 41 -2.574 14.063 -19.850 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.829 11.361 -19.805 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.215 12.895 -19.111 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.340 13.795 -18.113 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.357 11.546 -16.692 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.882 10.519 -16.654 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.080 10.296 -18.227 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.360 11.519 -18.046 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.419 12.519 -15.288 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.879 13.599 -16.626 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.721 13.759 -15.864 1.00 0.00 H new ATOM 582 N LYS A 42 -4.043 12.241 -17.544 1.00 0.00 N ATOM 583 CA LYS A 42 -4.990 11.725 -16.562 1.00 0.00 C ATOM 584 C LYS A 42 -6.086 10.909 -17.240 1.00 0.00 C ATOM 585 O LYS A 42 -6.490 9.858 -16.742 1.00 0.00 O ATOM 586 CB LYS A 42 -5.613 12.877 -15.769 1.00 0.00 C ATOM 587 CG LYS A 42 -4.594 13.724 -15.026 1.00 0.00 C ATOM 588 CD LYS A 42 -5.225 14.985 -14.460 1.00 0.00 C ATOM 589 CE LYS A 42 -5.839 14.736 -13.091 1.00 0.00 C ATOM 590 NZ LYS A 42 -6.931 15.702 -12.788 1.00 0.00 N ATOM 0 H LYS A 42 -4.142 13.237 -17.742 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.447 11.073 -15.878 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.175 13.515 -16.451 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.327 12.470 -15.053 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.155 13.141 -14.217 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.782 13.994 -15.701 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.471 15.768 -14.384 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.993 15.347 -15.144 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.231 13.720 -13.048 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.065 14.811 -12.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.323 15.499 -11.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.552 16.670 -12.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.682 15.613 -13.502 1.00 0.00 H new ATOM 604 N LYS A 43 -6.563 11.399 -18.379 1.00 0.00 N ATOM 605 CA LYS A 43 -7.610 10.715 -19.128 1.00 0.00 C ATOM 606 C LYS A 43 -7.047 9.508 -19.872 1.00 0.00 C ATOM 607 O LYS A 43 -7.781 8.581 -20.216 1.00 0.00 O ATOM 608 CB LYS A 43 -8.269 11.677 -20.119 1.00 0.00 C ATOM 609 CG LYS A 43 -8.823 12.934 -19.470 1.00 0.00 C ATOM 610 CD LYS A 43 -9.342 13.915 -20.508 1.00 0.00 C ATOM 611 CE LYS A 43 -9.569 15.293 -19.907 1.00 0.00 C ATOM 612 NZ LYS A 43 -10.759 15.319 -19.011 1.00 0.00 N ATOM 0 H LYS A 43 -6.241 12.268 -18.804 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.360 10.365 -18.418 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.539 11.961 -20.877 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.077 11.158 -20.634 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.628 12.667 -18.786 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.044 13.411 -18.875 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.629 13.988 -21.330 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.276 13.542 -20.928 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.685 15.594 -19.345 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.701 16.021 -20.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.879 16.276 -18.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.607 15.056 -19.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.622 14.643 -18.233 1.00 0.00 H new ATOM 626 N HIS A 44 -5.741 9.526 -20.117 1.00 0.00 N ATOM 627 CA HIS A 44 -5.079 8.432 -20.819 1.00 0.00 C ATOM 628 C HIS A 44 -4.629 7.352 -19.840 1.00 0.00 C ATOM 629 O HIS A 44 -4.923 6.172 -20.024 1.00 0.00 O ATOM 630 CB HIS A 44 -3.879 8.956 -21.607 1.00 0.00 C ATOM 631 CG HIS A 44 -2.883 7.893 -21.959 1.00 0.00 C ATOM 632 ND1 HIS A 44 -2.765 7.362 -23.226 1.00 0.00 N ATOM 633 CD2 HIS A 44 -1.955 7.264 -21.201 1.00 0.00 C ATOM 634 CE1 HIS A 44 -1.809 6.451 -23.232 1.00 0.00 C ATOM 635 NE2 HIS A 44 -1.301 6.372 -22.015 1.00 0.00 N ATOM 0 H HIS A 44 -5.120 10.286 -19.840 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.795 7.992 -21.513 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.234 9.427 -22.523 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.381 9.730 -21.023 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.764 7.432 -20.151 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -1.496 5.869 -24.086 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -0.546 5.750 -21.727 1.00 0.00 H new ATOM 643 N MET A 45 -3.912 7.765 -18.799 1.00 0.00 N ATOM 644 CA MET A 45 -3.421 6.833 -17.792 1.00 0.00 C ATOM 645 C MET A 45 -4.537 5.908 -17.317 1.00 0.00 C ATOM 646 O MET A 45 -4.277 4.825 -16.794 1.00 0.00 O ATOM 647 CB MET A 45 -2.836 7.596 -16.602 1.00 0.00 C ATOM 648 CG MET A 45 -3.890 8.186 -15.680 1.00 0.00 C ATOM 649 SD MET A 45 -3.229 8.631 -14.063 1.00 0.00 S ATOM 650 CE MET A 45 -1.724 9.480 -14.535 1.00 0.00 C ATOM 0 H MET A 45 -3.659 8.739 -18.632 1.00 0.00 H new ATOM 0 HA MET A 45 -2.638 6.226 -18.246 1.00 0.00 H new ATOM 0 HB2 MET A 45 -2.198 6.924 -16.028 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.200 8.399 -16.973 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.322 9.071 -16.148 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.699 7.467 -15.552 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.862 8.873 -14.259 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.722 9.645 -15.612 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.671 10.440 -14.021 1.00 0.00 H new ATOM 660 N GLU A 46 -5.780 6.342 -17.504 1.00 0.00 N ATOM 661 CA GLU A 46 -6.935 5.552 -17.094 1.00 0.00 C ATOM 662 C GLU A 46 -7.146 4.369 -18.034 1.00 0.00 C ATOM 663 O GLU A 46 -7.580 3.297 -17.613 1.00 0.00 O ATOM 664 CB GLU A 46 -8.192 6.424 -17.062 1.00 0.00 C ATOM 665 CG GLU A 46 -8.994 6.382 -18.352 1.00 0.00 C ATOM 666 CD GLU A 46 -10.019 5.265 -18.365 1.00 0.00 C ATOM 667 OE1 GLU A 46 -9.820 4.267 -17.642 1.00 0.00 O ATOM 668 OE2 GLU A 46 -11.021 5.390 -19.100 1.00 0.00 O ATOM 0 H GLU A 46 -6.012 7.236 -17.937 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.743 5.168 -16.092 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.828 6.100 -16.238 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.904 7.455 -16.856 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.501 7.337 -18.492 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.314 6.256 -19.194 1.00 0.00 H new ATOM 675 N VAL A 47 -6.837 4.573 -19.311 1.00 0.00 N ATOM 676 CA VAL A 47 -6.992 3.524 -20.312 1.00 0.00 C ATOM 677 C VAL A 47 -5.678 2.788 -20.545 1.00 0.00 C ATOM 678 O VAL A 47 -5.668 1.618 -20.928 1.00 0.00 O ATOM 679 CB VAL A 47 -7.492 4.096 -21.651 1.00 0.00 C ATOM 680 CG1 VAL A 47 -8.879 4.700 -21.490 1.00 0.00 C ATOM 681 CG2 VAL A 47 -6.512 5.128 -22.188 1.00 0.00 C ATOM 0 H VAL A 47 -6.478 5.455 -19.677 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.733 2.824 -19.925 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.558 3.281 -22.372 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.215 5.099 -22.447 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.574 3.931 -21.153 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.843 5.504 -20.754 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.881 5.522 -23.135 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.412 5.942 -21.471 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.540 4.660 -22.344 1.00 0.00 H new ATOM 691 N CYS A 48 -4.569 3.481 -20.311 1.00 0.00 N ATOM 692 CA CYS A 48 -3.247 2.894 -20.495 1.00 0.00 C ATOM 693 C CYS A 48 -3.207 1.465 -19.961 1.00 0.00 C ATOM 694 O CYS A 48 -2.951 0.521 -20.707 1.00 0.00 O ATOM 695 CB CYS A 48 -2.186 3.743 -19.791 1.00 0.00 C ATOM 696 SG CYS A 48 -0.472 3.264 -20.179 1.00 0.00 S ATOM 0 H CYS A 48 -4.559 4.450 -19.993 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.033 2.870 -21.564 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.331 4.788 -20.066 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.336 3.673 -18.714 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.471 2.413 -21.162 1.00 0.00 H new ATOM 701 N GLN A 49 -3.461 1.316 -18.665 1.00 0.00 N ATOM 702 CA GLN A 49 -3.453 0.003 -18.031 1.00 0.00 C ATOM 703 C GLN A 49 -4.299 -0.989 -18.824 1.00 0.00 C ATOM 704 O GLN A 49 -3.859 -2.101 -19.116 1.00 0.00 O ATOM 705 CB GLN A 49 -3.975 0.103 -16.597 1.00 0.00 C ATOM 706 CG GLN A 49 -3.099 0.951 -15.689 1.00 0.00 C ATOM 707 CD GLN A 49 -3.775 1.289 -14.375 1.00 0.00 C ATOM 708 OE1 GLN A 49 -4.627 0.543 -13.892 1.00 0.00 O ATOM 709 NE2 GLN A 49 -3.399 2.420 -13.789 1.00 0.00 N ATOM 0 H GLN A 49 -3.675 2.088 -18.034 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.424 -0.357 -18.012 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.981 0.523 -16.614 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.055 -0.900 -16.178 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.169 0.420 -15.488 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.834 1.874 -16.205 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.689 3.009 -14.225 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.820 2.700 -12.903 1.00 0.00 H new ATOM 718 N LYS A 50 -5.514 -0.579 -19.170 1.00 0.00 N ATOM 719 CA LYS A 50 -6.422 -1.430 -19.930 1.00 0.00 C ATOM 720 C LYS A 50 -5.750 -1.945 -21.199 1.00 0.00 C ATOM 721 O LYS A 50 -5.854 -3.126 -21.533 1.00 0.00 O ATOM 722 CB LYS A 50 -7.694 -0.659 -20.291 1.00 0.00 C ATOM 723 CG LYS A 50 -8.553 -1.358 -21.331 1.00 0.00 C ATOM 724 CD LYS A 50 -9.318 -0.359 -22.184 1.00 0.00 C ATOM 725 CE LYS A 50 -10.679 -0.041 -21.584 1.00 0.00 C ATOM 726 NZ LYS A 50 -11.279 1.181 -22.187 1.00 0.00 N ATOM 0 H LYS A 50 -5.893 0.338 -18.936 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.687 -2.284 -19.307 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.284 -0.505 -19.388 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.418 0.328 -20.663 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.922 -1.976 -21.970 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.256 -2.027 -20.834 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.738 0.559 -22.280 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.447 -0.761 -23.189 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.349 -0.887 -21.735 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.578 0.097 -20.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.206 1.364 -21.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.652 1.994 -22.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.399 1.040 -23.210 1.00 0.00 H new ATOM 740 N LEU A 51 -5.060 -1.054 -21.902 1.00 0.00 N ATOM 741 CA LEU A 51 -4.369 -1.419 -23.134 1.00 0.00 C ATOM 742 C LEU A 51 -3.162 -2.303 -22.839 1.00 0.00 C ATOM 743 O LEU A 51 -3.107 -3.456 -23.266 1.00 0.00 O ATOM 744 CB LEU A 51 -3.925 -0.163 -23.884 1.00 0.00 C ATOM 745 CG LEU A 51 -4.986 0.509 -24.756 1.00 0.00 C ATOM 746 CD1 LEU A 51 -5.442 -0.431 -25.861 1.00 0.00 C ATOM 747 CD2 LEU A 51 -6.170 0.953 -23.909 1.00 0.00 C ATOM 0 H LEU A 51 -4.964 -0.073 -21.640 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.063 -1.981 -23.759 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.569 0.565 -23.155 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.076 -0.423 -24.516 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.544 1.392 -25.217 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.197 0.064 -26.471 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.590 -0.699 -26.485 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.867 -1.333 -25.420 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.915 1.429 -24.546 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.612 0.086 -23.419 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.832 1.663 -23.154 1.00 0.00 H new ATOM 759 N GLN A 52 -2.199 -1.756 -22.105 1.00 0.00 N ATOM 760 CA GLN A 52 -0.993 -2.496 -21.752 1.00 0.00 C ATOM 761 C GLN A 52 -1.340 -3.895 -21.253 1.00 0.00 C ATOM 762 O GLN A 52 -0.692 -4.875 -21.621 1.00 0.00 O ATOM 763 CB GLN A 52 -0.201 -1.742 -20.683 1.00 0.00 C ATOM 764 CG GLN A 52 0.757 -0.708 -21.252 1.00 0.00 C ATOM 765 CD GLN A 52 0.092 0.214 -22.255 1.00 0.00 C ATOM 766 OE1 GLN A 52 -0.847 0.939 -21.923 1.00 0.00 O ATOM 767 NE2 GLN A 52 0.576 0.192 -23.492 1.00 0.00 N ATOM 0 H GLN A 52 -2.230 -0.803 -21.743 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.380 -2.591 -22.648 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.899 -1.246 -20.008 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.364 -2.459 -20.087 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.171 -0.114 -20.437 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.593 -1.218 -21.731 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.355 -0.424 -23.724 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.168 0.791 -24.210 1.00 0.00 H new ATOM 776 N ASP A 53 -2.365 -3.980 -20.413 1.00 0.00 N ATOM 777 CA ASP A 53 -2.799 -5.260 -19.863 1.00 0.00 C ATOM 778 C ASP A 53 -2.833 -6.333 -20.946 1.00 0.00 C ATOM 779 O ASP A 53 -2.319 -7.435 -20.758 1.00 0.00 O ATOM 780 CB ASP A 53 -4.180 -5.121 -19.221 1.00 0.00 C ATOM 781 CG ASP A 53 -4.529 -6.302 -18.337 1.00 0.00 C ATOM 782 OD1 ASP A 53 -4.010 -7.409 -18.593 1.00 0.00 O ATOM 783 OD2 ASP A 53 -5.322 -6.121 -17.389 1.00 0.00 O ATOM 0 H ASP A 53 -2.911 -3.178 -20.098 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.081 -5.562 -19.100 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.212 -4.206 -18.629 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.933 -5.021 -20.003 1.00 0.00 H new ATOM 788 N ALA A 54 -3.443 -6.003 -22.080 1.00 0.00 N ATOM 789 CA ALA A 54 -3.543 -6.938 -23.194 1.00 0.00 C ATOM 790 C ALA A 54 -2.163 -7.402 -23.647 1.00 0.00 C ATOM 791 O ALA A 54 -1.812 -8.574 -23.501 1.00 0.00 O ATOM 792 CB ALA A 54 -4.294 -6.300 -24.353 1.00 0.00 C ATOM 0 H ALA A 54 -3.875 -5.095 -22.251 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.098 -7.812 -22.853 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.361 -7.010 -25.178 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.298 -6.025 -24.029 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.762 -5.408 -24.684 1.00 0.00 H new ATOM 798 N LEU A 55 -1.384 -6.478 -24.197 1.00 0.00 N ATOM 799 CA LEU A 55 -0.042 -6.792 -24.673 1.00 0.00 C ATOM 800 C LEU A 55 0.734 -7.587 -23.627 1.00 0.00 C ATOM 801 O LEU A 55 1.463 -8.523 -23.957 1.00 0.00 O ATOM 802 CB LEU A 55 0.713 -5.507 -25.016 1.00 0.00 C ATOM 803 CG LEU A 55 0.544 -4.992 -26.446 1.00 0.00 C ATOM 804 CD1 LEU A 55 1.250 -3.655 -26.618 1.00 0.00 C ATOM 805 CD2 LEU A 55 1.074 -6.009 -27.446 1.00 0.00 C ATOM 0 H LEU A 55 -1.659 -5.504 -24.325 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.135 -7.402 -25.572 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.390 -4.725 -24.329 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.775 -5.673 -24.834 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.519 -4.846 -26.636 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.119 -3.304 -27.641 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.824 -2.927 -25.927 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.313 -3.775 -26.409 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.945 -5.625 -28.458 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.133 -6.187 -27.257 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.524 -6.944 -27.340 1.00 0.00 H new ATOM 817 N LYS A 56 0.571 -7.210 -22.363 1.00 0.00 N ATOM 818 CA LYS A 56 1.252 -7.888 -21.267 1.00 0.00 C ATOM 819 C LYS A 56 1.018 -9.394 -21.331 1.00 0.00 C ATOM 820 O LYS A 56 -0.120 -9.853 -21.431 1.00 0.00 O ATOM 821 CB LYS A 56 0.767 -7.342 -19.922 1.00 0.00 C ATOM 822 CG LYS A 56 1.384 -8.043 -18.724 1.00 0.00 C ATOM 823 CD LYS A 56 1.151 -7.262 -17.441 1.00 0.00 C ATOM 824 CE LYS A 56 -0.168 -7.644 -16.788 1.00 0.00 C ATOM 825 NZ LYS A 56 -0.069 -8.931 -16.047 1.00 0.00 N ATOM 0 H LYS A 56 -0.028 -6.437 -22.072 1.00 0.00 H new ATOM 0 HA LYS A 56 2.321 -7.699 -21.364 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.996 -6.278 -19.867 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.318 -7.438 -19.870 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.958 -9.041 -18.626 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.455 -8.168 -18.886 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.970 -7.449 -16.746 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.155 -6.194 -17.658 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.476 -6.854 -16.103 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.941 -7.724 -17.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.989 -9.156 -15.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.200 -9.690 -16.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.651 -8.848 -15.301 1.00 0.00 H new ATOM 839 N CYS A 57 2.103 -10.160 -21.271 1.00 0.00 N ATOM 840 CA CYS A 57 2.017 -11.614 -21.320 1.00 0.00 C ATOM 841 C CYS A 57 1.368 -12.164 -20.053 1.00 0.00 C ATOM 842 O CYS A 57 0.957 -11.405 -19.176 1.00 0.00 O ATOM 843 CB CYS A 57 3.409 -12.223 -21.498 1.00 0.00 C ATOM 844 SG CYS A 57 3.420 -13.801 -22.408 1.00 0.00 S ATOM 0 H CYS A 57 3.053 -9.797 -21.188 1.00 0.00 H new ATOM 0 HA CYS A 57 1.396 -11.887 -22.173 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.042 -11.508 -22.024 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.854 -12.380 -20.515 1.00 0.00 H new ATOM 0 HG CYS A 57 4.431 -14.520 -22.018 1.00 0.00 H new ATOM 849 N GLN A 58 1.279 -13.487 -19.967 1.00 0.00 N ATOM 850 CA GLN A 58 0.680 -14.138 -18.808 1.00 0.00 C ATOM 851 C GLN A 58 1.666 -15.099 -18.153 1.00 0.00 C ATOM 852 O GLN A 58 2.027 -14.935 -16.986 1.00 0.00 O ATOM 853 CB GLN A 58 -0.587 -14.890 -19.218 1.00 0.00 C ATOM 854 CG GLN A 58 -1.791 -13.986 -19.426 1.00 0.00 C ATOM 855 CD GLN A 58 -2.793 -14.563 -20.407 1.00 0.00 C ATOM 856 OE1 GLN A 58 -3.862 -15.033 -20.016 1.00 0.00 O ATOM 857 NE2 GLN A 58 -2.451 -14.532 -21.689 1.00 0.00 N ATOM 0 H GLN A 58 1.614 -14.129 -20.686 1.00 0.00 H new ATOM 0 HA GLN A 58 0.418 -13.366 -18.084 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.392 -15.439 -20.139 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.825 -15.628 -18.452 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.283 -13.816 -18.468 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.453 -13.015 -19.787 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.555 -14.133 -21.968 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.084 -14.907 -22.395 1.00 0.00 H new ATOM 866 N HIS A 59 2.099 -16.102 -18.910 1.00 0.00 N ATOM 867 CA HIS A 59 3.045 -17.090 -18.402 1.00 0.00 C ATOM 868 C HIS A 59 4.251 -16.409 -17.763 1.00 0.00 C ATOM 869 O HIS A 59 4.703 -16.805 -16.688 1.00 0.00 O ATOM 870 CB HIS A 59 3.505 -18.014 -19.530 1.00 0.00 C ATOM 871 CG HIS A 59 2.379 -18.713 -20.228 1.00 0.00 C ATOM 872 ND1 HIS A 59 1.373 -19.375 -19.557 1.00 0.00 N ATOM 873 CD2 HIS A 59 2.103 -18.849 -21.546 1.00 0.00 C ATOM 874 CE1 HIS A 59 0.527 -19.890 -20.432 1.00 0.00 C ATOM 875 NE2 HIS A 59 0.948 -19.585 -21.647 1.00 0.00 N ATOM 0 H HIS A 59 1.810 -16.252 -19.877 1.00 0.00 H new ATOM 0 HA HIS A 59 2.539 -17.683 -17.640 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.068 -17.431 -20.259 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.188 -18.760 -19.122 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.683 -18.452 -22.366 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.358 -20.462 -20.195 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.490 -19.853 -22.518 1.00 0.00 H new ATOM 883 N CYS A 60 4.769 -15.384 -18.431 1.00 0.00 N ATOM 884 CA CYS A 60 5.924 -14.649 -17.930 1.00 0.00 C ATOM 885 C CYS A 60 5.492 -13.342 -17.272 1.00 0.00 C ATOM 886 O CYS A 60 6.206 -12.792 -16.433 1.00 0.00 O ATOM 887 CB CYS A 60 6.904 -14.359 -19.069 1.00 0.00 C ATOM 888 SG CYS A 60 6.356 -13.045 -20.205 1.00 0.00 S ATOM 0 H CYS A 60 4.407 -15.043 -19.322 1.00 0.00 H new ATOM 0 HA CYS A 60 6.420 -15.267 -17.181 1.00 0.00 H new ATOM 0 HB2 CYS A 60 7.867 -14.078 -18.643 1.00 0.00 H new ATOM 0 HB3 CYS A 60 7.063 -15.274 -19.639 1.00 0.00 H new ATOM 0 HG CYS A 60 6.462 -13.460 -21.432 1.00 0.00 H new ATOM 893 N ARG A 61 4.319 -12.850 -17.658 1.00 0.00 N ATOM 894 CA ARG A 61 3.792 -11.608 -17.106 1.00 0.00 C ATOM 895 C ARG A 61 4.735 -10.443 -17.392 1.00 0.00 C ATOM 896 O ARG A 61 5.136 -9.716 -16.482 1.00 0.00 O ATOM 897 CB ARG A 61 3.577 -11.746 -15.598 1.00 0.00 C ATOM 898 CG ARG A 61 2.174 -12.192 -15.221 1.00 0.00 C ATOM 899 CD ARG A 61 2.179 -13.042 -13.960 1.00 0.00 C ATOM 900 NE ARG A 61 0.960 -12.866 -13.176 1.00 0.00 N ATOM 901 CZ ARG A 61 0.490 -13.779 -12.333 1.00 0.00 C ATOM 902 NH1 ARG A 61 1.134 -14.925 -12.165 1.00 0.00 N ATOM 903 NH2 ARG A 61 -0.627 -13.545 -11.655 1.00 0.00 N ATOM 0 H ARG A 61 3.716 -13.293 -18.351 1.00 0.00 H new ATOM 0 HA ARG A 61 2.834 -11.404 -17.585 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.296 -12.463 -15.201 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.785 -10.788 -15.121 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.542 -11.317 -15.069 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.739 -12.761 -16.043 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.287 -14.092 -14.231 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.043 -12.780 -13.350 1.00 0.00 H new ATOM 0 HE ARG A 61 0.441 -11.994 -13.281 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.993 -15.108 -12.684 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.771 -15.624 -11.517 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.125 -12.664 -11.781 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.987 -14.246 -11.008 1.00 0.00 H new ATOM 917 N LYS A 62 5.087 -10.271 -18.661 1.00 0.00 N ATOM 918 CA LYS A 62 5.983 -9.195 -19.069 1.00 0.00 C ATOM 919 C LYS A 62 5.346 -8.343 -20.162 1.00 0.00 C ATOM 920 O LYS A 62 4.673 -8.861 -21.052 1.00 0.00 O ATOM 921 CB LYS A 62 7.312 -9.770 -19.564 1.00 0.00 C ATOM 922 CG LYS A 62 8.379 -8.715 -19.803 1.00 0.00 C ATOM 923 CD LYS A 62 9.669 -9.334 -20.314 1.00 0.00 C ATOM 924 CE LYS A 62 10.664 -8.269 -20.749 1.00 0.00 C ATOM 925 NZ LYS A 62 10.238 -7.591 -22.005 1.00 0.00 N ATOM 0 H LYS A 62 4.765 -10.864 -19.426 1.00 0.00 H new ATOM 0 HA LYS A 62 6.170 -8.562 -18.202 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.682 -10.490 -18.834 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.139 -10.317 -20.491 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.014 -7.984 -20.524 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.575 -8.177 -18.875 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.113 -9.950 -19.532 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.450 -9.993 -21.154 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.774 -7.529 -19.956 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.643 -8.725 -20.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.026 -7.024 -22.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.962 -8.305 -22.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.428 -6.970 -21.807 1.00 0.00 H new ATOM 939 N GLN A 63 5.566 -7.034 -20.089 1.00 0.00 N ATOM 940 CA GLN A 63 5.014 -6.111 -21.074 1.00 0.00 C ATOM 941 C GLN A 63 5.861 -6.097 -22.342 1.00 0.00 C ATOM 942 O GLN A 63 7.063 -6.364 -22.301 1.00 0.00 O ATOM 943 CB GLN A 63 4.928 -4.700 -20.489 1.00 0.00 C ATOM 944 CG GLN A 63 3.864 -3.834 -21.144 1.00 0.00 C ATOM 945 CD GLN A 63 4.324 -3.242 -22.462 1.00 0.00 C ATOM 946 OE1 GLN A 63 5.522 -3.149 -22.729 1.00 0.00 O ATOM 947 NE2 GLN A 63 3.371 -2.837 -23.294 1.00 0.00 N ATOM 0 H GLN A 63 6.122 -6.589 -19.359 1.00 0.00 H new ATOM 0 HA GLN A 63 4.011 -6.452 -21.332 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.721 -4.770 -19.421 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.897 -4.212 -20.594 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.967 -4.431 -21.311 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.588 -3.028 -20.464 1.00 0.00 H new ATOM 0 HE21 GLN A 63 2.390 -2.933 -23.032 1.00 0.00 H new ATOM 0 HE22 GLN A 63 3.620 -2.430 -24.195 1.00 0.00 H new ATOM 956 N PHE A 64 5.227 -5.786 -23.467 1.00 0.00 N ATOM 957 CA PHE A 64 5.923 -5.739 -24.748 1.00 0.00 C ATOM 958 C PHE A 64 5.441 -4.558 -25.586 1.00 0.00 C ATOM 959 O PHE A 64 4.274 -4.489 -25.971 1.00 0.00 O ATOM 960 CB PHE A 64 5.708 -7.045 -25.517 1.00 0.00 C ATOM 961 CG PHE A 64 6.563 -8.177 -25.026 1.00 0.00 C ATOM 962 CD1 PHE A 64 6.187 -8.915 -23.915 1.00 0.00 C ATOM 963 CD2 PHE A 64 7.743 -8.504 -25.675 1.00 0.00 C ATOM 964 CE1 PHE A 64 6.972 -9.959 -23.461 1.00 0.00 C ATOM 965 CE2 PHE A 64 8.531 -9.546 -25.225 1.00 0.00 C ATOM 966 CZ PHE A 64 8.146 -10.274 -24.116 1.00 0.00 C ATOM 0 H PHE A 64 4.233 -5.563 -23.518 1.00 0.00 H new ATOM 0 HA PHE A 64 6.987 -5.612 -24.550 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.659 -7.333 -25.442 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.917 -6.874 -26.573 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.271 -8.672 -23.398 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.050 -7.938 -26.542 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.667 -10.527 -22.595 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.448 -9.791 -25.740 1.00 0.00 H new ATOM 0 HZ PHE A 64 8.762 -11.088 -23.762 1.00 0.00 H new ATOM 976 N LYS A 65 6.349 -3.628 -25.863 1.00 0.00 N ATOM 977 CA LYS A 65 6.021 -2.449 -26.654 1.00 0.00 C ATOM 978 C LYS A 65 6.188 -2.729 -28.144 1.00 0.00 C ATOM 979 O LYS A 65 6.790 -1.938 -28.870 1.00 0.00 O ATOM 980 CB LYS A 65 6.906 -1.270 -26.243 1.00 0.00 C ATOM 981 CG LYS A 65 6.495 0.049 -26.874 1.00 0.00 C ATOM 982 CD LYS A 65 5.495 0.794 -26.006 1.00 0.00 C ATOM 983 CE LYS A 65 4.065 0.524 -26.445 1.00 0.00 C ATOM 984 NZ LYS A 65 3.637 1.442 -27.537 1.00 0.00 N ATOM 0 H LYS A 65 7.319 -3.669 -25.551 1.00 0.00 H new ATOM 0 HA LYS A 65 4.978 -2.195 -26.465 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.880 -1.168 -25.158 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.938 -1.488 -26.518 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.377 0.670 -27.029 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.059 -0.136 -27.856 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.620 0.494 -24.966 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.696 1.864 -26.055 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.978 -0.508 -26.784 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.396 0.637 -25.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.657 1.226 -27.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.696 2.426 -27.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.260 1.316 -28.360 1.00 0.00 H new ATOM 998 N SER A 66 5.652 -3.859 -28.593 1.00 0.00 N ATOM 999 CA SER A 66 5.745 -4.245 -29.996 1.00 0.00 C ATOM 1000 C SER A 66 4.953 -5.522 -30.262 1.00 0.00 C ATOM 1001 O SER A 66 5.254 -6.580 -29.710 1.00 0.00 O ATOM 1002 CB SER A 66 7.208 -4.446 -30.396 1.00 0.00 C ATOM 1003 OG SER A 66 7.390 -4.238 -31.786 1.00 0.00 O ATOM 0 H SER A 66 5.149 -4.524 -28.005 1.00 0.00 H new ATOM 0 HA SER A 66 5.319 -3.442 -30.597 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.839 -3.756 -29.836 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.525 -5.455 -30.131 1.00 0.00 H new ATOM 0 HG SER A 66 8.333 -4.371 -32.016 1.00 0.00 H new ATOM 1009 N LYS A 67 3.938 -5.414 -31.113 1.00 0.00 N ATOM 1010 CA LYS A 67 3.102 -6.559 -31.455 1.00 0.00 C ATOM 1011 C LYS A 67 3.953 -7.735 -31.923 1.00 0.00 C ATOM 1012 O LYS A 67 3.856 -8.836 -31.383 1.00 0.00 O ATOM 1013 CB LYS A 67 2.100 -6.176 -32.547 1.00 0.00 C ATOM 1014 CG LYS A 67 0.783 -5.645 -32.005 1.00 0.00 C ATOM 1015 CD LYS A 67 -0.074 -6.762 -31.433 1.00 0.00 C ATOM 1016 CE LYS A 67 -1.539 -6.358 -31.361 1.00 0.00 C ATOM 1017 NZ LYS A 67 -2.124 -6.149 -32.715 1.00 0.00 N ATOM 0 H LYS A 67 3.675 -4.545 -31.578 1.00 0.00 H new ATOM 0 HA LYS A 67 2.559 -6.860 -30.559 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.549 -5.420 -33.192 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.902 -7.049 -33.169 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.979 -4.903 -31.231 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.238 -5.138 -32.802 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.029 -7.654 -32.051 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.283 -7.022 -30.436 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.103 -7.129 -30.837 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.635 -5.442 -30.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.155 -6.278 -32.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.910 -5.185 -33.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.716 -6.838 -33.379 1.00 0.00 H new ATOM 1031 N ALA A 68 4.788 -7.492 -32.928 1.00 0.00 N ATOM 1032 CA ALA A 68 5.660 -8.530 -33.464 1.00 0.00 C ATOM 1033 C ALA A 68 6.548 -9.119 -32.374 1.00 0.00 C ATOM 1034 O ALA A 68 6.755 -10.331 -32.315 1.00 0.00 O ATOM 1035 CB ALA A 68 6.510 -7.973 -34.597 1.00 0.00 C ATOM 0 H ALA A 68 4.879 -6.586 -33.387 1.00 0.00 H new ATOM 0 HA ALA A 68 5.032 -9.330 -33.855 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.156 -8.759 -34.988 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.861 -7.608 -35.393 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.122 -7.153 -34.223 1.00 0.00 H new ATOM 1041 N GLY A 69 7.072 -8.254 -31.512 1.00 0.00 N ATOM 1042 CA GLY A 69 7.933 -8.708 -30.435 1.00 0.00 C ATOM 1043 C GLY A 69 7.266 -9.750 -29.560 1.00 0.00 C ATOM 1044 O GLY A 69 7.867 -10.775 -29.234 1.00 0.00 O ATOM 0 H GLY A 69 6.916 -7.246 -31.540 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.848 -9.124 -30.856 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.223 -7.855 -29.822 1.00 0.00 H new ATOM 1048 N LEU A 70 6.022 -9.489 -29.176 1.00 0.00 N ATOM 1049 CA LEU A 70 5.272 -10.412 -28.331 1.00 0.00 C ATOM 1050 C LEU A 70 4.984 -11.715 -29.069 1.00 0.00 C ATOM 1051 O LEU A 70 5.312 -12.798 -28.588 1.00 0.00 O ATOM 1052 CB LEU A 70 3.961 -9.769 -27.877 1.00 0.00 C ATOM 1053 CG LEU A 70 3.096 -10.603 -26.931 1.00 0.00 C ATOM 1054 CD1 LEU A 70 3.732 -10.676 -25.551 1.00 0.00 C ATOM 1055 CD2 LEU A 70 1.691 -10.024 -26.843 1.00 0.00 C ATOM 0 H LEU A 70 5.511 -8.646 -29.436 1.00 0.00 H new ATOM 0 HA LEU A 70 5.880 -10.639 -27.455 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.194 -8.824 -27.386 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.371 -9.531 -28.762 1.00 0.00 H new ATOM 0 HG LEU A 70 3.026 -11.615 -27.330 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.103 -11.273 -24.891 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.717 -11.137 -25.628 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.833 -9.670 -25.143 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.089 -10.630 -26.166 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.742 -9.002 -26.468 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.235 -10.025 -27.833 1.00 0.00 H new ATOM 1067 N ASN A 71 4.370 -11.601 -30.243 1.00 0.00 N ATOM 1068 CA ASN A 71 4.039 -12.770 -31.049 1.00 0.00 C ATOM 1069 C ASN A 71 5.236 -13.709 -31.163 1.00 0.00 C ATOM 1070 O ASN A 71 5.098 -14.926 -31.037 1.00 0.00 O ATOM 1071 CB ASN A 71 3.580 -12.340 -32.444 1.00 0.00 C ATOM 1072 CG ASN A 71 2.487 -11.289 -32.395 1.00 0.00 C ATOM 1073 OD1 ASN A 71 2.562 -10.315 -33.294 1.00 0.00 O flip ATOM 1074 ND2 ASN A 71 1.587 -11.353 -31.558 1.00 0.00 N flip ATOM 0 H ASN A 71 4.092 -10.711 -30.657 1.00 0.00 H new ATOM 0 HA ASN A 71 3.227 -13.303 -30.554 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.432 -11.948 -32.999 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.218 -13.212 -32.989 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.569 -12.120 -30.886 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.859 -10.639 -31.536 1.00 0.00 H new ATOM 1081 N TYR A 72 6.410 -13.135 -31.400 1.00 0.00 N ATOM 1082 CA TYR A 72 7.632 -13.921 -31.533 1.00 0.00 C ATOM 1083 C TYR A 72 8.107 -14.422 -30.172 1.00 0.00 C ATOM 1084 O TYR A 72 8.512 -15.576 -30.030 1.00 0.00 O ATOM 1085 CB TYR A 72 8.730 -13.086 -32.193 1.00 0.00 C ATOM 1086 CG TYR A 72 9.802 -13.917 -32.863 1.00 0.00 C ATOM 1087 CD1 TYR A 72 10.580 -14.804 -32.129 1.00 0.00 C ATOM 1088 CD2 TYR A 72 10.037 -13.814 -34.228 1.00 0.00 C ATOM 1089 CE1 TYR A 72 11.561 -15.565 -32.736 1.00 0.00 C ATOM 1090 CE2 TYR A 72 11.014 -14.572 -34.844 1.00 0.00 C ATOM 1091 CZ TYR A 72 11.773 -15.445 -34.094 1.00 0.00 C ATOM 1092 OH TYR A 72 12.749 -16.201 -34.703 1.00 0.00 O ATOM 0 H TYR A 72 6.542 -12.129 -31.504 1.00 0.00 H new ATOM 0 HA TYR A 72 7.413 -14.784 -32.162 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.278 -12.426 -32.933 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.193 -12.449 -31.439 1.00 0.00 H new ATOM 0 HD1 TYR A 72 10.415 -14.900 -31.066 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.446 -13.129 -34.818 1.00 0.00 H new ATOM 0 HE1 TYR A 72 12.158 -16.249 -32.151 1.00 0.00 H new ATOM 0 HE2 TYR A 72 11.182 -14.481 -35.907 1.00 0.00 H new ATOM 0 HH TYR A 72 12.769 -15.999 -35.662 1.00 0.00 H new ATOM 1102 N HIS A 73 8.053 -13.546 -29.174 1.00 0.00 N ATOM 1103 CA HIS A 73 8.476 -13.899 -27.824 1.00 0.00 C ATOM 1104 C HIS A 73 7.643 -15.054 -27.277 1.00 0.00 C ATOM 1105 O HIS A 73 8.162 -16.141 -27.017 1.00 0.00 O ATOM 1106 CB HIS A 73 8.360 -12.688 -26.897 1.00 0.00 C ATOM 1107 CG HIS A 73 7.949 -13.040 -25.501 1.00 0.00 C ATOM 1108 ND1 HIS A 73 8.853 -13.296 -24.491 1.00 0.00 N ATOM 1109 CD2 HIS A 73 6.721 -13.176 -24.947 1.00 0.00 C ATOM 1110 CE1 HIS A 73 8.199 -13.576 -23.378 1.00 0.00 C ATOM 1111 NE2 HIS A 73 6.903 -13.509 -23.628 1.00 0.00 N ATOM 0 H HIS A 73 7.721 -12.587 -29.275 1.00 0.00 H new ATOM 0 HA HIS A 73 9.518 -14.215 -27.868 1.00 0.00 H new ATOM 0 HB2 HIS A 73 9.320 -12.172 -26.865 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.636 -11.989 -27.315 1.00 0.00 H new ATOM 0 HD1 HIS A 73 9.868 -13.273 -24.588 1.00 0.00 H new ATOM 0 HD2 HIS A 73 5.774 -13.046 -25.450 1.00 0.00 H new ATOM 0 HE1 HIS A 73 8.647 -13.818 -22.426 1.00 0.00 H new ATOM 1119 N THR A 74 6.347 -14.813 -27.105 1.00 0.00 N ATOM 1120 CA THR A 74 5.442 -15.832 -26.588 1.00 0.00 C ATOM 1121 C THR A 74 5.807 -17.213 -27.120 1.00 0.00 C ATOM 1122 O THR A 74 5.769 -18.201 -26.388 1.00 0.00 O ATOM 1123 CB THR A 74 3.979 -15.523 -26.957 1.00 0.00 C ATOM 1124 OG1 THR A 74 3.628 -14.208 -26.510 1.00 0.00 O ATOM 1125 CG2 THR A 74 3.037 -16.543 -26.335 1.00 0.00 C ATOM 0 H THR A 74 5.901 -13.921 -27.316 1.00 0.00 H new ATOM 0 HA THR A 74 5.545 -15.825 -25.503 1.00 0.00 H new ATOM 0 HB THR A 74 3.882 -15.576 -28.041 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.977 -13.544 -27.140 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.010 -16.304 -26.609 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.288 -17.539 -26.699 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.138 -16.517 -25.250 1.00 0.00 H new ATOM 1133 N MET A 75 6.161 -17.274 -28.400 1.00 0.00 N ATOM 1134 CA MET A 75 6.535 -18.535 -29.029 1.00 0.00 C ATOM 1135 C MET A 75 8.015 -18.835 -28.808 1.00 0.00 C ATOM 1136 O MET A 75 8.416 -19.995 -28.722 1.00 0.00 O ATOM 1137 CB MET A 75 6.230 -18.493 -30.528 1.00 0.00 C ATOM 1138 CG MET A 75 5.987 -19.863 -31.138 1.00 0.00 C ATOM 1139 SD MET A 75 7.515 -20.779 -31.419 1.00 0.00 S ATOM 1140 CE MET A 75 8.349 -19.699 -32.579 1.00 0.00 C ATOM 0 H MET A 75 6.197 -16.466 -29.021 1.00 0.00 H new ATOM 0 HA MET A 75 5.948 -19.330 -28.568 1.00 0.00 H new ATOM 0 HB2 MET A 75 5.351 -17.870 -30.694 1.00 0.00 H new ATOM 0 HB3 MET A 75 7.062 -18.016 -31.046 1.00 0.00 H new ATOM 0 HG2 MET A 75 5.338 -20.440 -30.479 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.458 -19.747 -32.084 1.00 0.00 H new ATOM 0 HE1 MET A 75 9.038 -20.283 -33.189 1.00 0.00 H new ATOM 0 HE2 MET A 75 7.612 -19.219 -33.223 1.00 0.00 H new ATOM 0 HE3 MET A 75 8.905 -18.937 -32.032 1.00 0.00 H new ATOM 1150 N ALA A 76 8.820 -17.782 -28.719 1.00 0.00 N ATOM 1151 CA ALA A 76 10.254 -17.934 -28.507 1.00 0.00 C ATOM 1152 C ALA A 76 10.543 -18.611 -27.171 1.00 0.00 C ATOM 1153 O ALA A 76 11.507 -19.365 -27.044 1.00 0.00 O ATOM 1154 CB ALA A 76 10.944 -16.579 -28.573 1.00 0.00 C ATOM 0 H ALA A 76 8.504 -16.815 -28.790 1.00 0.00 H new ATOM 0 HA ALA A 76 10.648 -18.570 -29.300 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.014 -16.708 -28.413 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.775 -16.132 -29.553 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.538 -15.926 -27.801 1.00 0.00 H new ATOM 1160 N GLU A 77 9.702 -18.337 -26.179 1.00 0.00 N ATOM 1161 CA GLU A 77 9.869 -18.919 -24.853 1.00 0.00 C ATOM 1162 C GLU A 77 8.744 -19.903 -24.545 1.00 0.00 C ATOM 1163 O GLU A 77 8.987 -21.086 -24.302 1.00 0.00 O ATOM 1164 CB GLU A 77 9.906 -17.820 -23.789 1.00 0.00 C ATOM 1165 CG GLU A 77 11.306 -17.317 -23.482 1.00 0.00 C ATOM 1166 CD GLU A 77 12.291 -18.444 -23.238 1.00 0.00 C ATOM 1167 OE1 GLU A 77 11.872 -19.494 -22.707 1.00 0.00 O ATOM 1168 OE2 GLU A 77 13.481 -18.275 -23.578 1.00 0.00 O ATOM 0 H GLU A 77 8.898 -17.716 -26.269 1.00 0.00 H new ATOM 0 HA GLU A 77 10.815 -19.460 -24.839 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.293 -16.983 -24.122 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.456 -18.199 -22.871 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.658 -16.705 -24.312 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.272 -16.673 -22.603 1.00 0.00 H new ATOM 1175 N HIS A 78 7.511 -19.405 -24.556 1.00 0.00 N ATOM 1176 CA HIS A 78 6.348 -20.240 -24.278 1.00 0.00 C ATOM 1177 C HIS A 78 5.932 -21.024 -25.520 1.00 0.00 C ATOM 1178 O HIS A 78 5.017 -20.626 -26.240 1.00 0.00 O ATOM 1179 CB HIS A 78 5.182 -19.379 -23.791 1.00 0.00 C ATOM 1180 CG HIS A 78 5.608 -18.206 -22.963 1.00 0.00 C ATOM 1181 ND1 HIS A 78 6.695 -18.239 -22.114 1.00 0.00 N ATOM 1182 CD2 HIS A 78 5.089 -16.961 -22.858 1.00 0.00 C ATOM 1183 CE1 HIS A 78 6.824 -17.066 -21.522 1.00 0.00 C ATOM 1184 NE2 HIS A 78 5.862 -16.272 -21.956 1.00 0.00 N ATOM 0 H HIS A 78 7.292 -18.429 -24.754 1.00 0.00 H new ATOM 0 HA HIS A 78 6.619 -20.949 -23.496 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.621 -19.020 -24.654 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.503 -19.999 -23.206 1.00 0.00 H new ATOM 0 HD1 HIS A 78 7.304 -19.044 -21.967 1.00 0.00 H new ATOM 0 HD2 HIS A 78 4.227 -16.580 -23.385 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.587 -16.801 -20.805 1.00 0.00 H new