USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=16 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 120:sc= -0.443 USER MOD Set 1.2: A 60 CYS SG : rot 179:sc= -3.5 USER MOD Set 1.3: A 73 HIS :FLIP no HD1:sc= -1.54 F(o=-8.2!,f=-7.3) USER MOD Set 1.4: A 78 HIS : no HD1:sc= -1.85 X(o=-7.3,f=-7.4) USER MOD Set 2.1: A 52 GLN : amide:sc= -0.767 K(o=0.23,f=-3.6!) USER MOD Set 2.2: A 63 GLN : amide:sc= 0.994 K(o=0.23,f=-3.6) USER MOD Set 3.1: A 27 CYS SG : rot 100:sc= 0.314 USER MOD Set 3.2: A 30 CYS SG : rot -88:sc= -0.815 USER MOD Set 3.3: A 44 HIS :FLIP no HD1:sc= -2.37 F(o=-2.6,f=-2.1) USER MOD Set 3.4: A 48 CYS SG : rot 163:sc= 0.799 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -1.06 K(o=-1.1,f=-3.9!) USER MOD Single : A 20 HIS : no HD1:sc= -1.31 X(o=-1.3,f=-0.92) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -5.56! C(o=-5.6!,f=-5.5!) USER MOD Single : A 34 THR OG1 : rot -160:sc= -0.471 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 69:sc= 1.19 USER MOD Single : A 42 LYS NZ :NH3+ -149:sc= -0.81 (180deg=-1.84) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 172:sc= -0.557 (180deg=-0.713) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) 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= -0.176 K(o=-0.18,f=-2.1!) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 164:sc= -0.0176 (180deg=-0.171) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.492 X(o=-0.49,f=-0.0066) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 76:sc= 1.17 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N PRO A 11 -3.388 16.072 -7.415 1.00 0.00 N ATOM 95 CA PRO A 11 -2.827 14.930 -8.143 1.00 0.00 C ATOM 96 C PRO A 11 -1.760 15.351 -9.148 1.00 0.00 C ATOM 97 O PRO A 11 -1.231 14.523 -9.888 1.00 0.00 O ATOM 98 CB PRO A 11 -4.040 14.340 -8.867 1.00 0.00 C ATOM 99 CG PRO A 11 -4.986 15.482 -9.013 1.00 0.00 C ATOM 100 CD PRO A 11 -4.783 16.346 -7.800 1.00 0.00 C ATOM 0 HA PRO A 11 -2.328 14.227 -7.476 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.761 13.930 -9.838 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.486 13.527 -8.294 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.786 16.040 -9.928 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.016 15.130 -9.074 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.937 17.401 -8.028 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.478 16.087 -7.002 1.00 0.00 H new ATOM 108 N GLU A 12 -1.448 16.643 -9.166 1.00 0.00 N ATOM 109 CA GLU A 12 -0.443 17.172 -10.081 1.00 0.00 C ATOM 110 C GLU A 12 0.757 17.718 -9.314 1.00 0.00 C ATOM 111 O GLU A 12 1.215 18.832 -9.567 1.00 0.00 O ATOM 112 CB GLU A 12 -1.047 18.274 -10.955 1.00 0.00 C ATOM 113 CG GLU A 12 -2.352 17.874 -11.623 1.00 0.00 C ATOM 114 CD GLU A 12 -3.266 19.058 -11.874 1.00 0.00 C ATOM 115 OE1 GLU A 12 -2.749 20.187 -12.005 1.00 0.00 O ATOM 116 OE2 GLU A 12 -4.496 18.855 -11.939 1.00 0.00 O ATOM 0 H GLU A 12 -1.876 17.342 -8.558 1.00 0.00 H new ATOM 0 HA GLU A 12 -0.104 16.356 -10.719 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.219 19.159 -10.342 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.326 18.553 -11.723 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.135 17.380 -12.570 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.869 17.147 -10.996 1.00 0.00 H new ATOM 123 N GLU A 13 1.262 16.925 -8.374 1.00 0.00 N ATOM 124 CA GLU A 13 2.409 17.329 -7.569 1.00 0.00 C ATOM 125 C GLU A 13 3.708 16.792 -8.163 1.00 0.00 C ATOM 126 O GLU A 13 4.642 17.549 -8.424 1.00 0.00 O ATOM 127 CB GLU A 13 2.250 16.833 -6.130 1.00 0.00 C ATOM 128 CG GLU A 13 3.046 17.639 -5.117 1.00 0.00 C ATOM 129 CD GLU A 13 2.994 17.040 -3.725 1.00 0.00 C ATOM 130 OE1 GLU A 13 1.972 16.404 -3.391 1.00 0.00 O ATOM 131 OE2 GLU A 13 3.973 17.208 -2.969 1.00 0.00 O ATOM 0 H GLU A 13 0.895 16.000 -8.151 1.00 0.00 H new ATOM 0 HA GLU A 13 2.454 18.418 -7.568 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.195 16.864 -5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.562 15.790 -6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.084 17.702 -5.443 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.660 18.658 -5.085 1.00 0.00 H new ATOM 138 N GLN A 14 3.757 15.480 -8.373 1.00 0.00 N ATOM 139 CA GLN A 14 4.941 14.842 -8.935 1.00 0.00 C ATOM 140 C GLN A 14 4.994 15.027 -10.448 1.00 0.00 C ATOM 141 O GLN A 14 6.072 15.078 -11.040 1.00 0.00 O ATOM 142 CB GLN A 14 4.955 13.351 -8.591 1.00 0.00 C ATOM 143 CG GLN A 14 6.320 12.702 -8.751 1.00 0.00 C ATOM 144 CD GLN A 14 6.321 11.240 -8.352 1.00 0.00 C ATOM 145 OE1 GLN A 14 5.786 10.389 -9.063 1.00 0.00 O ATOM 146 NE2 GLN A 14 6.925 10.939 -7.208 1.00 0.00 N ATOM 0 H GLN A 14 2.992 14.840 -8.163 1.00 0.00 H new ATOM 0 HA GLN A 14 5.820 15.317 -8.499 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.619 13.221 -7.562 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.239 12.833 -9.229 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.641 12.792 -9.789 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.048 13.241 -8.144 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.356 11.676 -6.649 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.958 9.971 -6.888 1.00 0.00 H new ATOM 155 N TRP A 15 3.823 15.126 -11.067 1.00 0.00 N ATOM 156 CA TRP A 15 3.736 15.305 -12.512 1.00 0.00 C ATOM 157 C TRP A 15 4.004 16.756 -12.898 1.00 0.00 C ATOM 158 O TRP A 15 4.274 17.057 -14.060 1.00 0.00 O ATOM 159 CB TRP A 15 2.357 14.876 -13.018 1.00 0.00 C ATOM 160 CG TRP A 15 2.098 13.408 -12.862 1.00 0.00 C ATOM 161 CD1 TRP A 15 3.027 12.407 -12.862 1.00 0.00 C ATOM 162 CD2 TRP A 15 0.825 12.777 -12.687 1.00 0.00 C ATOM 163 NE1 TRP A 15 2.409 11.192 -12.697 1.00 0.00 N ATOM 164 CE2 TRP A 15 1.058 11.391 -12.586 1.00 0.00 C ATOM 165 CE3 TRP A 15 -0.488 13.247 -12.603 1.00 0.00 C ATOM 166 CZ2 TRP A 15 0.026 10.474 -12.407 1.00 0.00 C ATOM 167 CZ3 TRP A 15 -1.512 12.335 -12.426 1.00 0.00 C ATOM 168 CH2 TRP A 15 -1.250 10.962 -12.329 1.00 0.00 C ATOM 0 H TRP A 15 2.921 15.085 -10.592 1.00 0.00 H new ATOM 0 HA TRP A 15 4.497 14.678 -12.977 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.591 15.432 -12.478 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.264 15.144 -14.070 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.091 12.550 -12.975 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.880 10.288 -12.663 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -0.699 14.304 -12.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.225 9.415 -12.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.531 12.687 -12.361 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -2.072 10.275 -12.190 1.00 0.00 H new ATOM 179 N GLN A 16 3.927 17.648 -11.917 1.00 0.00 N ATOM 180 CA GLN A 16 4.162 19.068 -12.156 1.00 0.00 C ATOM 181 C GLN A 16 5.600 19.446 -11.820 1.00 0.00 C ATOM 182 O GLN A 16 6.258 20.160 -12.577 1.00 0.00 O ATOM 183 CB GLN A 16 3.192 19.913 -11.327 1.00 0.00 C ATOM 184 CG GLN A 16 3.157 21.376 -11.738 1.00 0.00 C ATOM 185 CD GLN A 16 2.210 21.636 -12.893 1.00 0.00 C ATOM 186 OE1 GLN A 16 1.147 21.023 -12.989 1.00 0.00 O ATOM 187 NE2 GLN A 16 2.593 22.549 -13.778 1.00 0.00 N ATOM 0 H GLN A 16 3.704 17.414 -10.950 1.00 0.00 H new ATOM 0 HA GLN A 16 3.992 19.266 -13.214 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.190 19.495 -11.418 1.00 0.00 H new ATOM 0 HB3 GLN A 16 3.472 19.846 -10.276 1.00 0.00 H new ATOM 0 HG2 GLN A 16 2.857 21.982 -10.883 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.161 21.695 -12.018 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.483 23.033 -13.659 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.997 22.766 -14.577 1.00 0.00 H new ATOM 196 N ARG A 17 6.083 18.964 -10.679 1.00 0.00 N ATOM 197 CA ARG A 17 7.443 19.253 -10.242 1.00 0.00 C ATOM 198 C ARG A 17 8.450 18.909 -11.335 1.00 0.00 C ATOM 199 O ARG A 17 9.525 19.503 -11.412 1.00 0.00 O ATOM 200 CB ARG A 17 7.769 18.471 -8.968 1.00 0.00 C ATOM 201 CG ARG A 17 8.244 17.051 -9.230 1.00 0.00 C ATOM 202 CD ARG A 17 9.025 16.498 -8.049 1.00 0.00 C ATOM 203 NE ARG A 17 8.146 16.061 -6.967 1.00 0.00 N ATOM 204 CZ ARG A 17 8.523 15.996 -5.695 1.00 0.00 C ATOM 205 NH1 ARG A 17 9.756 16.338 -5.347 1.00 0.00 N ATOM 206 NH2 ARG A 17 7.665 15.589 -4.768 1.00 0.00 N ATOM 0 H ARG A 17 5.552 18.371 -10.041 1.00 0.00 H new ATOM 0 HA ARG A 17 7.511 20.320 -10.032 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.538 19.005 -8.411 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.882 18.438 -8.335 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.385 16.410 -9.432 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.871 17.035 -10.122 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.637 15.659 -8.380 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.707 17.262 -7.676 1.00 0.00 H new ATOM 0 HE ARG A 17 7.191 15.791 -7.201 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.418 16.652 -6.057 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.043 16.287 -4.369 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.716 15.326 -5.032 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.955 15.539 -3.791 1.00 0.00 H new ATOM 220 N ALA A 18 8.094 17.945 -12.178 1.00 0.00 N ATOM 221 CA ALA A 18 8.966 17.523 -13.267 1.00 0.00 C ATOM 222 C ALA A 18 8.768 18.398 -14.500 1.00 0.00 C ATOM 223 O ALA A 18 9.654 18.501 -15.349 1.00 0.00 O ATOM 224 CB ALA A 18 8.713 16.062 -13.609 1.00 0.00 C ATOM 0 H ALA A 18 7.208 17.442 -12.128 1.00 0.00 H new ATOM 0 HA ALA A 18 9.999 17.635 -12.937 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.371 15.760 -14.424 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.912 15.444 -12.734 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.675 15.934 -13.915 1.00 0.00 H new ATOM 230 N ILE A 19 7.601 19.027 -14.592 1.00 0.00 N ATOM 231 CA ILE A 19 7.288 19.894 -15.721 1.00 0.00 C ATOM 232 C ILE A 19 8.154 21.149 -15.707 1.00 0.00 C ATOM 233 O ILE A 19 8.555 21.652 -16.757 1.00 0.00 O ATOM 234 CB ILE A 19 5.804 20.307 -15.719 1.00 0.00 C ATOM 235 CG1 ILE A 19 4.923 19.127 -16.135 1.00 0.00 C ATOM 236 CG2 ILE A 19 5.584 21.493 -16.647 1.00 0.00 C ATOM 237 CD1 ILE A 19 3.459 19.323 -15.810 1.00 0.00 C ATOM 0 H ILE A 19 6.857 18.952 -13.898 1.00 0.00 H new ATOM 0 HA ILE A 19 7.496 19.322 -16.625 1.00 0.00 H new ATOM 0 HB ILE A 19 5.526 20.605 -14.708 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.030 18.964 -17.207 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.280 18.225 -15.638 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.531 21.774 -16.635 1.00 0.00 H new ATOM 0 HG22 ILE A 19 6.188 22.336 -16.310 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.876 21.220 -17.661 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.894 18.448 -16.133 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.340 19.456 -14.735 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.086 20.207 -16.328 1.00 0.00 H new ATOM 249 N HIS A 20 8.439 21.651 -14.509 1.00 0.00 N ATOM 250 CA HIS A 20 9.260 22.847 -14.357 1.00 0.00 C ATOM 251 C HIS A 20 10.721 22.477 -14.120 1.00 0.00 C ATOM 252 O HIS A 20 11.597 23.341 -14.120 1.00 0.00 O ATOM 253 CB HIS A 20 8.745 23.701 -13.199 1.00 0.00 C ATOM 254 CG HIS A 20 9.404 23.396 -11.889 1.00 0.00 C ATOM 255 ND1 HIS A 20 10.332 24.229 -11.302 1.00 0.00 N ATOM 256 CD2 HIS A 20 9.263 22.342 -11.052 1.00 0.00 C ATOM 257 CE1 HIS A 20 10.735 23.700 -10.160 1.00 0.00 C ATOM 258 NE2 HIS A 20 10.102 22.555 -9.985 1.00 0.00 N ATOM 0 H HIS A 20 8.114 21.248 -13.630 1.00 0.00 H new ATOM 0 HA HIS A 20 9.194 23.422 -15.281 1.00 0.00 H new ATOM 0 HB2 HIS A 20 8.900 24.753 -13.438 1.00 0.00 H new ATOM 0 HB3 HIS A 20 7.670 23.552 -13.099 1.00 0.00 H new ATOM 0 HD2 HIS A 20 8.612 21.492 -11.196 1.00 0.00 H new ATOM 0 HE1 HIS A 20 11.459 24.131 -9.485 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.217 21.930 -9.187 1.00 0.00 H new ATOM 266 N GLU A 21 10.975 21.187 -13.919 1.00 0.00 N ATOM 267 CA GLU A 21 12.330 20.704 -13.679 1.00 0.00 C ATOM 268 C GLU A 21 12.972 20.219 -14.976 1.00 0.00 C ATOM 269 O GLU A 21 14.032 20.702 -15.374 1.00 0.00 O ATOM 270 CB GLU A 21 12.317 19.573 -12.649 1.00 0.00 C ATOM 271 CG GLU A 21 12.425 20.057 -11.212 1.00 0.00 C ATOM 272 CD GLU A 21 12.100 18.971 -10.205 1.00 0.00 C ATOM 273 OE1 GLU A 21 12.333 17.784 -10.515 1.00 0.00 O ATOM 274 OE2 GLU A 21 11.612 19.309 -9.106 1.00 0.00 O ATOM 0 H GLU A 21 10.261 20.459 -13.918 1.00 0.00 H new ATOM 0 HA GLU A 21 12.921 21.533 -13.289 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.397 19.000 -12.762 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.143 18.893 -12.858 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.435 20.424 -11.031 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.748 20.899 -11.064 1.00 0.00 H new ATOM 281 N ARG A 22 12.322 19.261 -15.628 1.00 0.00 N ATOM 282 CA ARG A 22 12.830 18.708 -16.878 1.00 0.00 C ATOM 283 C ARG A 22 12.080 19.289 -18.073 1.00 0.00 C ATOM 284 O ARG A 22 12.666 19.538 -19.126 1.00 0.00 O ATOM 285 CB ARG A 22 12.703 17.184 -16.875 1.00 0.00 C ATOM 286 CG ARG A 22 11.299 16.690 -16.570 1.00 0.00 C ATOM 287 CD ARG A 22 11.060 15.301 -17.143 1.00 0.00 C ATOM 288 NE ARG A 22 11.512 14.250 -16.236 1.00 0.00 N ATOM 289 CZ ARG A 22 11.834 13.024 -16.634 1.00 0.00 C ATOM 290 NH1 ARG A 22 11.756 12.699 -17.917 1.00 0.00 N ATOM 291 NH2 ARG A 22 12.237 12.122 -15.749 1.00 0.00 N ATOM 0 H ARG A 22 11.443 18.852 -15.312 1.00 0.00 H new ATOM 0 HA ARG A 22 13.883 18.978 -16.965 1.00 0.00 H new ATOM 0 HB2 ARG A 22 13.010 16.800 -17.848 1.00 0.00 H new ATOM 0 HB3 ARG A 22 13.392 16.772 -16.138 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.145 16.671 -15.491 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.569 17.386 -16.984 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.997 15.171 -17.347 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.582 15.207 -18.095 1.00 0.00 H new ATOM 0 HE ARG A 22 11.585 14.469 -15.242 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.448 13.391 -18.601 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.004 11.757 -18.221 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.300 12.369 -14.761 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.484 11.181 -16.056 1.00 0.00 H new ATOM 305 N GLY A 23 10.778 19.503 -17.902 1.00 0.00 N ATOM 306 CA GLY A 23 9.969 20.052 -18.975 1.00 0.00 C ATOM 307 C GLY A 23 8.539 19.551 -18.937 1.00 0.00 C ATOM 308 O GLY A 23 7.621 20.300 -18.605 1.00 0.00 O ATOM 0 H GLY A 23 10.270 19.306 -17.040 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.972 21.140 -18.908 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.417 19.791 -19.934 1.00 0.00 H new ATOM 312 N GLU A 24 8.350 18.281 -19.280 1.00 0.00 N ATOM 313 CA GLU A 24 7.020 17.682 -19.286 1.00 0.00 C ATOM 314 C GLU A 24 7.028 16.333 -18.574 1.00 0.00 C ATOM 315 O GLU A 24 8.080 15.722 -18.391 1.00 0.00 O ATOM 316 CB GLU A 24 6.520 17.511 -20.722 1.00 0.00 C ATOM 317 CG GLU A 24 7.333 16.516 -21.535 1.00 0.00 C ATOM 318 CD GLU A 24 7.032 16.592 -23.019 1.00 0.00 C ATOM 319 OE1 GLU A 24 7.594 17.481 -23.693 1.00 0.00 O ATOM 320 OE2 GLU A 24 6.236 15.763 -23.506 1.00 0.00 O ATOM 0 H GLU A 24 9.100 17.647 -19.557 1.00 0.00 H new ATOM 0 HA GLU A 24 6.345 18.351 -18.752 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.480 17.185 -20.699 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.540 18.479 -21.223 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.395 16.702 -21.373 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.128 15.507 -21.178 1.00 0.00 H new ATOM 327 N ALA A 25 5.846 15.875 -18.175 1.00 0.00 N ATOM 328 CA ALA A 25 5.715 14.598 -17.484 1.00 0.00 C ATOM 329 C ALA A 25 4.874 13.618 -18.295 1.00 0.00 C ATOM 330 O ALA A 25 3.672 13.480 -18.068 1.00 0.00 O ATOM 331 CB ALA A 25 5.106 14.803 -16.105 1.00 0.00 C ATOM 0 H ALA A 25 4.965 16.369 -18.318 1.00 0.00 H new ATOM 0 HA ALA A 25 6.712 14.172 -17.369 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.014 13.841 -15.601 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.747 15.460 -15.518 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.119 15.255 -16.207 1.00 0.00 H new ATOM 337 N VAL A 26 5.513 12.940 -19.243 1.00 0.00 N ATOM 338 CA VAL A 26 4.823 11.973 -20.089 1.00 0.00 C ATOM 339 C VAL A 26 4.444 10.725 -19.299 1.00 0.00 C ATOM 340 O VAL A 26 4.939 10.502 -18.194 1.00 0.00 O ATOM 341 CB VAL A 26 5.691 11.561 -21.293 1.00 0.00 C ATOM 342 CG1 VAL A 26 6.039 12.775 -22.141 1.00 0.00 C ATOM 343 CG2 VAL A 26 6.950 10.849 -20.823 1.00 0.00 C ATOM 0 H VAL A 26 6.508 13.042 -19.445 1.00 0.00 H new ATOM 0 HA VAL A 26 3.918 12.459 -20.453 1.00 0.00 H new ATOM 0 HB VAL A 26 5.119 10.869 -21.911 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.652 12.464 -22.987 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.123 13.237 -22.508 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.592 13.494 -21.537 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.551 10.565 -21.687 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.527 11.516 -20.182 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.675 9.955 -20.263 1.00 0.00 H new ATOM 353 N CYS A 27 3.562 9.914 -19.873 1.00 0.00 N ATOM 354 CA CYS A 27 3.115 8.688 -19.224 1.00 0.00 C ATOM 355 C CYS A 27 4.303 7.810 -18.841 1.00 0.00 C ATOM 356 O CYS A 27 5.088 7.381 -19.687 1.00 0.00 O ATOM 357 CB CYS A 27 2.171 7.913 -20.147 1.00 0.00 C ATOM 358 SG CYS A 27 1.095 6.725 -19.281 1.00 0.00 S ATOM 0 H CYS A 27 3.143 10.084 -20.787 1.00 0.00 H new ATOM 0 HA CYS A 27 2.580 8.962 -18.314 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.547 8.623 -20.690 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.764 7.377 -20.888 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.086 7.245 -19.122 1.00 0.00 H new ATOM 363 N PRO A 28 4.439 7.537 -17.535 1.00 0.00 N ATOM 364 CA PRO A 28 5.528 6.708 -17.009 1.00 0.00 C ATOM 365 C PRO A 28 5.382 5.242 -17.402 1.00 0.00 C ATOM 366 O PRO A 28 6.179 4.396 -16.994 1.00 0.00 O ATOM 367 CB PRO A 28 5.397 6.871 -15.493 1.00 0.00 C ATOM 368 CG PRO A 28 3.965 7.215 -15.271 1.00 0.00 C ATOM 369 CD PRO A 28 3.540 8.014 -16.471 1.00 0.00 C ATOM 0 HA PRO A 28 6.498 7.012 -17.402 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.669 5.953 -14.971 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.055 7.656 -15.121 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.359 6.315 -15.167 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.840 7.791 -14.354 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.494 7.838 -16.721 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.652 9.085 -16.301 1.00 0.00 H new ATOM 377 N THR A 29 4.359 4.946 -18.197 1.00 0.00 N ATOM 378 CA THR A 29 4.108 3.581 -18.644 1.00 0.00 C ATOM 379 C THR A 29 4.555 3.385 -20.088 1.00 0.00 C ATOM 380 O THR A 29 5.463 2.602 -20.367 1.00 0.00 O ATOM 381 CB THR A 29 2.616 3.217 -18.527 1.00 0.00 C ATOM 382 OG1 THR A 29 2.193 3.316 -17.162 1.00 0.00 O ATOM 383 CG2 THR A 29 2.361 1.808 -19.041 1.00 0.00 C ATOM 0 H THR A 29 3.690 5.633 -18.545 1.00 0.00 H new ATOM 0 HA THR A 29 4.687 2.924 -17.995 1.00 0.00 H new ATOM 0 HB THR A 29 2.045 3.918 -19.136 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.243 3.085 -17.096 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.301 1.573 -18.948 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.657 1.744 -20.088 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.943 1.096 -18.455 1.00 0.00 H new ATOM 391 N CYS A 30 3.912 4.102 -21.004 1.00 0.00 N ATOM 392 CA CYS A 30 4.244 4.007 -22.421 1.00 0.00 C ATOM 393 C CYS A 30 5.065 5.212 -22.869 1.00 0.00 C ATOM 394 O CYS A 30 5.832 5.132 -23.828 1.00 0.00 O ATOM 395 CB CYS A 30 2.968 3.905 -23.259 1.00 0.00 C ATOM 396 SG CYS A 30 1.599 4.946 -22.658 1.00 0.00 S ATOM 0 H CYS A 30 3.158 4.755 -20.790 1.00 0.00 H new ATOM 0 HA CYS A 30 4.841 3.107 -22.570 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.198 4.184 -24.287 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.640 2.866 -23.276 1.00 0.00 H new ATOM 0 HG CYS A 30 0.907 4.287 -21.777 1.00 0.00 H new ATOM 401 N ASN A 31 4.899 6.329 -22.167 1.00 0.00 N ATOM 402 CA ASN A 31 5.624 7.551 -22.493 1.00 0.00 C ATOM 403 C ASN A 31 5.062 8.198 -23.755 1.00 0.00 C ATOM 404 O ASN A 31 5.812 8.639 -24.626 1.00 0.00 O ATOM 405 CB ASN A 31 7.113 7.251 -22.679 1.00 0.00 C ATOM 406 CG ASN A 31 7.968 8.502 -22.610 1.00 0.00 C ATOM 407 OD1 ASN A 31 7.705 9.486 -23.301 1.00 0.00 O ATOM 408 ND2 ASN A 31 8.999 8.468 -21.773 1.00 0.00 N ATOM 0 H ASN A 31 4.269 6.412 -21.369 1.00 0.00 H new ATOM 0 HA ASN A 31 5.501 8.248 -21.664 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.438 6.549 -21.911 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.265 6.763 -23.642 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.610 9.280 -21.684 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.179 7.630 -21.220 1.00 0.00 H new ATOM 415 N VAL A 32 3.737 8.250 -23.847 1.00 0.00 N ATOM 416 CA VAL A 32 3.074 8.844 -25.002 1.00 0.00 C ATOM 417 C VAL A 32 1.771 9.525 -24.597 1.00 0.00 C ATOM 418 O VAL A 32 0.816 8.867 -24.183 1.00 0.00 O ATOM 419 CB VAL A 32 2.774 7.787 -26.081 1.00 0.00 C ATOM 420 CG1 VAL A 32 4.057 7.345 -26.767 1.00 0.00 C ATOM 421 CG2 VAL A 32 2.047 6.597 -25.474 1.00 0.00 C ATOM 0 H VAL A 32 3.102 7.888 -23.136 1.00 0.00 H new ATOM 0 HA VAL A 32 3.757 9.588 -25.412 1.00 0.00 H new ATOM 0 HB VAL A 32 2.124 8.235 -26.833 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.825 6.598 -27.526 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.533 8.205 -27.238 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.734 6.914 -26.029 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.843 5.860 -26.251 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.669 6.146 -24.701 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.107 6.930 -25.035 1.00 0.00 H new ATOM 431 N VAL A 33 1.739 10.848 -24.719 1.00 0.00 N ATOM 432 CA VAL A 33 0.553 11.620 -24.368 1.00 0.00 C ATOM 433 C VAL A 33 0.673 13.062 -24.848 1.00 0.00 C ATOM 434 O VAL A 33 1.634 13.424 -25.527 1.00 0.00 O ATOM 435 CB VAL A 33 0.311 11.616 -22.846 1.00 0.00 C ATOM 436 CG1 VAL A 33 -0.548 10.426 -22.445 1.00 0.00 C ATOM 437 CG2 VAL A 33 1.635 11.604 -22.097 1.00 0.00 C ATOM 0 H VAL A 33 2.521 11.408 -25.058 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.292 11.144 -24.865 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.224 12.527 -22.578 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.708 10.440 -21.367 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.509 10.483 -22.956 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.043 9.502 -22.725 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.446 11.601 -21.024 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.198 10.711 -22.368 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.211 12.491 -22.362 1.00 0.00 H new ATOM 447 N THR A 34 -0.310 13.883 -24.491 1.00 0.00 N ATOM 448 CA THR A 34 -0.316 15.286 -24.886 1.00 0.00 C ATOM 449 C THR A 34 1.057 15.918 -24.689 1.00 0.00 C ATOM 450 O THR A 34 1.949 15.314 -24.093 1.00 0.00 O ATOM 451 CB THR A 34 -1.358 16.090 -24.086 1.00 0.00 C ATOM 452 OG1 THR A 34 -2.519 15.286 -23.847 1.00 0.00 O ATOM 453 CG2 THR A 34 -1.756 17.354 -24.834 1.00 0.00 C ATOM 0 H THR A 34 -1.113 13.600 -23.929 1.00 0.00 H new ATOM 0 HA THR A 34 -0.579 15.316 -25.943 1.00 0.00 H new ATOM 0 HB THR A 34 -0.912 16.375 -23.133 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.280 15.866 -23.634 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.493 17.906 -24.250 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.875 17.977 -24.989 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.185 17.086 -25.799 1.00 0.00 H new ATOM 461 N ARG A 35 1.220 17.136 -25.194 1.00 0.00 N ATOM 462 CA ARG A 35 2.485 17.850 -25.073 1.00 0.00 C ATOM 463 C ARG A 35 2.670 18.396 -23.660 1.00 0.00 C ATOM 464 O ARG A 35 3.785 18.440 -23.140 1.00 0.00 O ATOM 465 CB ARG A 35 2.548 18.995 -26.086 1.00 0.00 C ATOM 466 CG ARG A 35 2.764 18.531 -27.517 1.00 0.00 C ATOM 467 CD ARG A 35 1.442 18.304 -28.235 1.00 0.00 C ATOM 468 NE ARG A 35 1.636 17.918 -29.630 1.00 0.00 N ATOM 469 CZ ARG A 35 1.902 16.676 -30.019 1.00 0.00 C ATOM 470 NH1 ARG A 35 2.005 15.705 -29.123 1.00 0.00 N ATOM 471 NH2 ARG A 35 2.065 16.404 -31.308 1.00 0.00 N ATOM 0 H ARG A 35 0.492 17.649 -25.691 1.00 0.00 H new ATOM 0 HA ARG A 35 3.291 17.146 -25.280 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.621 19.566 -26.034 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.355 19.672 -25.807 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.350 19.275 -28.057 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.343 17.607 -27.518 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.878 17.527 -27.719 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.844 19.214 -28.191 1.00 0.00 H new ATOM 0 HE ARG A 35 1.563 18.642 -30.345 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.880 15.910 -28.132 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.209 14.752 -29.425 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.986 17.149 -32.000 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.269 15.450 -31.606 1.00 0.00 H new ATOM 485 N LYS A 36 1.568 18.813 -23.045 1.00 0.00 N ATOM 486 CA LYS A 36 1.607 19.356 -21.692 1.00 0.00 C ATOM 487 C LYS A 36 1.513 18.241 -20.655 1.00 0.00 C ATOM 488 O LYS A 36 1.679 18.476 -19.458 1.00 0.00 O ATOM 489 CB LYS A 36 0.464 20.353 -21.488 1.00 0.00 C ATOM 490 CG LYS A 36 0.741 21.725 -22.078 1.00 0.00 C ATOM 491 CD LYS A 36 0.010 22.818 -21.317 1.00 0.00 C ATOM 492 CE LYS A 36 -1.437 22.939 -21.770 1.00 0.00 C ATOM 493 NZ LYS A 36 -2.242 23.774 -20.835 1.00 0.00 N ATOM 0 H LYS A 36 0.637 18.785 -23.462 1.00 0.00 H new ATOM 0 HA LYS A 36 2.559 19.871 -21.561 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.443 19.950 -21.938 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.271 20.458 -20.420 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.813 21.921 -22.058 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.434 21.741 -23.124 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.041 22.603 -20.249 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.520 23.770 -21.465 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.470 23.376 -22.768 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.879 21.945 -21.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.222 23.833 -21.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.232 23.343 -19.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.835 24.730 -20.785 1.00 0.00 H new ATOM 507 N THR A 37 1.248 17.025 -21.123 1.00 0.00 N ATOM 508 CA THR A 37 1.133 15.874 -20.237 1.00 0.00 C ATOM 509 C THR A 37 0.499 16.265 -18.907 1.00 0.00 C ATOM 510 O THR A 37 0.986 15.887 -17.840 1.00 0.00 O ATOM 511 CB THR A 37 2.507 15.232 -19.968 1.00 0.00 C ATOM 512 OG1 THR A 37 3.177 15.932 -18.913 1.00 0.00 O ATOM 513 CG2 THR A 37 3.368 15.251 -21.222 1.00 0.00 C ATOM 0 H THR A 37 1.109 16.812 -22.111 1.00 0.00 H new ATOM 0 HA THR A 37 0.494 15.149 -20.742 1.00 0.00 H new ATOM 0 HB THR A 37 2.347 14.195 -19.672 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.713 15.768 -18.065 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.333 14.792 -21.008 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.869 14.693 -22.014 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.519 16.281 -21.544 1.00 0.00 H new ATOM 521 N LEU A 38 -0.591 17.022 -18.976 1.00 0.00 N ATOM 522 CA LEU A 38 -1.293 17.464 -17.777 1.00 0.00 C ATOM 523 C LEU A 38 -2.752 17.021 -17.806 1.00 0.00 C ATOM 524 O LEU A 38 -3.230 16.360 -16.884 1.00 0.00 O ATOM 525 CB LEU A 38 -1.212 18.986 -17.646 1.00 0.00 C ATOM 526 CG LEU A 38 -1.186 19.537 -16.220 1.00 0.00 C ATOM 527 CD1 LEU A 38 -2.208 18.819 -15.352 1.00 0.00 C ATOM 528 CD2 LEU A 38 0.208 19.408 -15.624 1.00 0.00 C ATOM 0 H LEU A 38 -1.007 17.342 -19.850 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.811 17.006 -16.914 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.315 19.328 -18.162 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.065 19.421 -18.167 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.448 20.594 -16.254 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.175 19.224 -14.341 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.205 18.963 -15.769 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.977 17.754 -15.324 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.208 19.805 -14.609 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.499 18.358 -15.603 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.917 19.969 -16.233 1.00 0.00 H new ATOM 540 N VAL A 39 -3.456 17.389 -18.873 1.00 0.00 N ATOM 541 CA VAL A 39 -4.860 17.027 -19.024 1.00 0.00 C ATOM 542 C VAL A 39 -5.007 15.642 -19.645 1.00 0.00 C ATOM 543 O VAL A 39 -5.864 14.857 -19.243 1.00 0.00 O ATOM 544 CB VAL A 39 -5.612 18.050 -19.895 1.00 0.00 C ATOM 545 CG1 VAL A 39 -5.453 19.453 -19.329 1.00 0.00 C ATOM 546 CG2 VAL A 39 -5.121 17.988 -21.334 1.00 0.00 C ATOM 0 H VAL A 39 -3.076 17.937 -19.645 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.295 17.022 -18.025 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.673 17.798 -19.886 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.991 20.162 -19.958 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.858 19.485 -18.317 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.396 19.718 -19.306 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.663 18.718 -21.935 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.055 18.213 -21.365 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.293 16.989 -21.734 1.00 0.00 H new ATOM 556 N GLY A 40 -4.162 15.348 -20.629 1.00 0.00 N ATOM 557 CA GLY A 40 -4.213 14.057 -21.290 1.00 0.00 C ATOM 558 C GLY A 40 -3.366 13.013 -20.590 1.00 0.00 C ATOM 559 O GLY A 40 -3.003 11.997 -21.184 1.00 0.00 O ATOM 0 H GLY A 40 -3.443 15.981 -20.980 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.247 13.714 -21.331 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.872 14.166 -22.320 1.00 0.00 H new ATOM 563 N LEU A 41 -3.049 13.262 -19.324 1.00 0.00 N ATOM 564 CA LEU A 41 -2.238 12.336 -18.542 1.00 0.00 C ATOM 565 C LEU A 41 -3.118 11.417 -17.702 1.00 0.00 C ATOM 566 O LEU A 41 -2.902 10.205 -17.653 1.00 0.00 O ATOM 567 CB LEU A 41 -1.277 13.109 -17.637 1.00 0.00 C ATOM 568 CG LEU A 41 -0.154 12.291 -16.997 1.00 0.00 C ATOM 569 CD1 LEU A 41 0.723 11.660 -18.066 1.00 0.00 C ATOM 570 CD2 LEU A 41 0.678 13.163 -16.068 1.00 0.00 C ATOM 0 H LEU A 41 -3.341 14.098 -18.817 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.661 11.722 -19.234 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.827 13.912 -18.220 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.856 13.578 -16.842 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.603 11.492 -16.407 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.516 11.082 -17.592 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.119 11.002 -18.691 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.164 12.443 -18.684 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.472 12.565 -15.622 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.117 13.983 -16.635 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.041 13.566 -15.281 1.00 0.00 H new ATOM 582 N LYS A 42 -4.113 12.000 -17.041 1.00 0.00 N ATOM 583 CA LYS A 42 -5.029 11.234 -16.205 1.00 0.00 C ATOM 584 C LYS A 42 -6.150 10.625 -17.042 1.00 0.00 C ATOM 585 O LYS A 42 -6.624 9.525 -16.758 1.00 0.00 O ATOM 586 CB LYS A 42 -5.622 12.126 -15.112 1.00 0.00 C ATOM 587 CG LYS A 42 -4.576 12.867 -14.298 1.00 0.00 C ATOM 588 CD LYS A 42 -4.259 14.225 -14.901 1.00 0.00 C ATOM 589 CE LYS A 42 -3.872 15.234 -13.831 1.00 0.00 C ATOM 590 NZ LYS A 42 -4.072 16.636 -14.291 1.00 0.00 N ATOM 0 H LYS A 42 -4.305 13.001 -17.069 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.466 10.425 -15.740 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.294 12.851 -15.571 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.225 11.513 -14.442 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.933 12.996 -13.276 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.665 12.270 -14.244 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.445 14.124 -15.619 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.126 14.591 -15.451 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.466 15.058 -12.934 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.828 15.088 -13.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.371 17.254 -13.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.956 16.683 -15.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.029 16.952 -14.036 1.00 0.00 H new ATOM 604 N LYS A 43 -6.568 11.346 -18.076 1.00 0.00 N ATOM 605 CA LYS A 43 -7.631 10.876 -18.957 1.00 0.00 C ATOM 606 C LYS A 43 -7.130 9.758 -19.866 1.00 0.00 C ATOM 607 O LYS A 43 -7.914 8.945 -20.357 1.00 0.00 O ATOM 608 CB LYS A 43 -8.169 12.033 -19.803 1.00 0.00 C ATOM 609 CG LYS A 43 -9.027 13.011 -19.019 1.00 0.00 C ATOM 610 CD LYS A 43 -9.029 14.389 -19.661 1.00 0.00 C ATOM 611 CE LYS A 43 -9.316 15.479 -18.640 1.00 0.00 C ATOM 612 NZ LYS A 43 -10.745 15.486 -18.223 1.00 0.00 N ATOM 0 H LYS A 43 -6.187 12.259 -18.325 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.436 10.482 -18.336 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.330 12.571 -20.244 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.756 11.627 -20.627 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.048 12.634 -18.960 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.655 13.085 -17.997 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.063 14.574 -20.131 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.779 14.422 -20.451 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.683 15.332 -17.765 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.056 16.450 -19.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.900 16.243 -17.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.348 15.651 -19.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.987 14.569 -17.797 1.00 0.00 H new ATOM 626 N HIS A 44 -5.819 9.722 -20.085 1.00 0.00 N ATOM 627 CA HIS A 44 -5.214 8.702 -20.934 1.00 0.00 C ATOM 628 C HIS A 44 -4.956 7.422 -20.144 1.00 0.00 C ATOM 629 O HIS A 44 -5.482 6.360 -20.477 1.00 0.00 O ATOM 630 CB HIS A 44 -3.905 9.218 -21.533 1.00 0.00 C ATOM 631 CG HIS A 44 -2.939 8.130 -21.888 1.00 0.00 C ATOM 632 ND1 HIS A 44 -2.113 7.390 -21.111 1.00 0.00 N flip ATOM 633 CD2 HIS A 44 -2.740 7.693 -23.181 1.00 0.00 C flip ATOM 634 CE1 HIS A 44 -1.438 6.528 -21.940 1.00 0.00 C flip ATOM 635 NE2 HIS A 44 -1.835 6.730 -23.184 1.00 0.00 N flip ATOM 0 H HIS A 44 -5.156 10.387 -19.687 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.910 8.476 -21.742 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.129 9.800 -22.427 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.432 9.895 -20.822 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.245 8.078 -24.055 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -0.702 5.803 -21.626 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -1.500 6.228 -24.006 1.00 0.00 H new ATOM 643 N MET A 45 -4.144 7.530 -19.099 1.00 0.00 N ATOM 644 CA MET A 45 -3.817 6.381 -18.262 1.00 0.00 C ATOM 645 C MET A 45 -5.033 5.478 -18.081 1.00 0.00 C ATOM 646 O MET A 45 -4.896 4.272 -17.877 1.00 0.00 O ATOM 647 CB MET A 45 -3.304 6.846 -16.898 1.00 0.00 C ATOM 648 CG MET A 45 -4.334 7.622 -16.093 1.00 0.00 C ATOM 649 SD MET A 45 -3.847 7.844 -14.372 1.00 0.00 S ATOM 650 CE MET A 45 -2.111 8.241 -14.560 1.00 0.00 C ATOM 0 H MET A 45 -3.700 8.402 -18.811 1.00 0.00 H new ATOM 0 HA MET A 45 -3.034 5.810 -18.761 1.00 0.00 H new ATOM 0 HB2 MET A 45 -2.986 5.976 -16.323 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.423 7.471 -17.044 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.487 8.599 -16.552 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.289 7.098 -16.132 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.701 8.545 -13.597 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.574 7.364 -14.923 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.000 9.056 -15.275 1.00 0.00 H new ATOM 660 N GLU A 46 -6.221 6.070 -18.156 1.00 0.00 N ATOM 661 CA GLU A 46 -7.460 5.317 -17.998 1.00 0.00 C ATOM 662 C GLU A 46 -7.411 4.017 -18.796 1.00 0.00 C ATOM 663 O GLU A 46 -7.634 2.934 -18.253 1.00 0.00 O ATOM 664 CB GLU A 46 -8.655 6.160 -18.448 1.00 0.00 C ATOM 665 CG GLU A 46 -8.764 7.494 -17.730 1.00 0.00 C ATOM 666 CD GLU A 46 -9.149 7.341 -16.271 1.00 0.00 C ATOM 667 OE1 GLU A 46 -8.998 6.225 -15.732 1.00 0.00 O ATOM 668 OE2 GLU A 46 -9.601 8.337 -15.669 1.00 0.00 O ATOM 0 H GLU A 46 -6.352 7.067 -18.325 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.575 5.071 -16.942 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.579 6.339 -19.520 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.571 5.593 -18.284 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.810 8.018 -17.797 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.505 8.114 -18.234 1.00 0.00 H new ATOM 675 N VAL A 47 -7.119 4.132 -20.087 1.00 0.00 N ATOM 676 CA VAL A 47 -7.040 2.966 -20.960 1.00 0.00 C ATOM 677 C VAL A 47 -5.639 2.366 -20.950 1.00 0.00 C ATOM 678 O VAL A 47 -5.472 1.150 -21.046 1.00 0.00 O ATOM 679 CB VAL A 47 -7.424 3.323 -22.408 1.00 0.00 C ATOM 680 CG1 VAL A 47 -8.830 3.900 -22.462 1.00 0.00 C ATOM 681 CG2 VAL A 47 -6.416 4.296 -23.002 1.00 0.00 C ATOM 0 H VAL A 47 -6.933 5.020 -20.552 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.748 2.233 -20.574 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.409 2.411 -23.004 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.083 4.146 -23.493 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.539 3.166 -22.079 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.877 4.802 -21.852 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.703 4.537 -24.026 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.396 5.208 -22.406 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.426 3.840 -23.001 1.00 0.00 H new ATOM 691 N CYS A 48 -4.633 3.227 -20.834 1.00 0.00 N ATOM 692 CA CYS A 48 -3.245 2.783 -20.811 1.00 0.00 C ATOM 693 C CYS A 48 -3.118 1.429 -20.119 1.00 0.00 C ATOM 694 O CYS A 48 -2.723 0.440 -20.737 1.00 0.00 O ATOM 695 CB CYS A 48 -2.369 3.815 -20.100 1.00 0.00 C ATOM 696 SG CYS A 48 -0.587 3.439 -20.148 1.00 0.00 S ATOM 0 H CYS A 48 -4.754 4.237 -20.754 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.907 2.678 -21.842 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.536 4.792 -20.554 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.686 3.889 -19.060 1.00 0.00 H new ATOM 0 HG CYS A 48 0.091 4.512 -19.864 1.00 0.00 H new ATOM 701 N GLN A 49 -3.455 1.393 -18.834 1.00 0.00 N ATOM 702 CA GLN A 49 -3.379 0.160 -18.059 1.00 0.00 C ATOM 703 C GLN A 49 -4.180 -0.953 -18.726 1.00 0.00 C ATOM 704 O GLN A 49 -3.723 -2.093 -18.816 1.00 0.00 O ATOM 705 CB GLN A 49 -3.894 0.395 -16.638 1.00 0.00 C ATOM 706 CG GLN A 49 -2.954 1.225 -15.779 1.00 0.00 C ATOM 707 CD GLN A 49 -3.648 1.837 -14.578 1.00 0.00 C ATOM 708 OE1 GLN A 49 -3.718 1.227 -13.510 1.00 0.00 O ATOM 709 NE2 GLN A 49 -4.165 3.048 -14.745 1.00 0.00 N ATOM 0 H GLN A 49 -3.783 2.203 -18.308 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.334 -0.148 -18.013 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.862 0.894 -16.689 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.058 -0.569 -16.156 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.131 0.598 -15.437 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.519 2.019 -16.386 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.084 3.517 -15.647 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.643 3.510 -13.971 1.00 0.00 H new ATOM 718 N LYS A 50 -5.378 -0.616 -19.191 1.00 0.00 N ATOM 719 CA LYS A 50 -6.243 -1.586 -19.851 1.00 0.00 C ATOM 720 C LYS A 50 -5.552 -2.193 -21.067 1.00 0.00 C ATOM 721 O LYS A 50 -5.691 -3.386 -21.342 1.00 0.00 O ATOM 722 CB LYS A 50 -7.556 -0.924 -20.274 1.00 0.00 C ATOM 723 CG LYS A 50 -8.424 -1.804 -21.157 1.00 0.00 C ATOM 724 CD LYS A 50 -8.110 -1.599 -22.630 1.00 0.00 C ATOM 725 CE LYS A 50 -9.315 -1.906 -23.505 1.00 0.00 C ATOM 726 NZ LYS A 50 -8.915 -2.262 -24.895 1.00 0.00 N ATOM 0 H LYS A 50 -5.772 0.322 -19.123 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.458 -2.385 -19.142 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.119 -0.651 -19.382 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.332 0.001 -20.805 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.270 -2.850 -20.893 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.475 -1.581 -20.974 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.792 -0.570 -22.795 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.277 -2.240 -22.918 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.881 -2.729 -23.068 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.977 -1.040 -23.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.765 -2.464 -25.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.397 -1.467 -25.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.304 -3.103 -24.876 1.00 0.00 H new ATOM 740 N LEU A 51 -4.807 -1.367 -21.792 1.00 0.00 N ATOM 741 CA LEU A 51 -4.092 -1.822 -22.979 1.00 0.00 C ATOM 742 C LEU A 51 -2.846 -2.613 -22.595 1.00 0.00 C ATOM 743 O LEU A 51 -2.687 -3.769 -22.987 1.00 0.00 O ATOM 744 CB LEU A 51 -3.703 -0.629 -23.854 1.00 0.00 C ATOM 745 CG LEU A 51 -4.776 -0.128 -24.821 1.00 0.00 C ATOM 746 CD1 LEU A 51 -4.327 1.159 -25.496 1.00 0.00 C ATOM 747 CD2 LEU A 51 -5.097 -1.192 -25.860 1.00 0.00 C ATOM 0 H LEU A 51 -4.682 -0.377 -21.579 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.756 -2.477 -23.543 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.416 0.196 -23.202 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.820 -0.901 -24.432 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.682 0.080 -24.252 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.103 1.501 -26.181 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.148 1.923 -24.740 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.407 0.977 -26.052 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.863 -0.818 -26.540 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.196 -1.432 -26.425 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.462 -2.089 -25.361 1.00 0.00 H new ATOM 759 N GLN A 52 -1.966 -1.983 -21.823 1.00 0.00 N ATOM 760 CA GLN A 52 -0.734 -2.629 -21.384 1.00 0.00 C ATOM 761 C GLN A 52 -0.997 -4.071 -20.963 1.00 0.00 C ATOM 762 O GLN A 52 -0.430 -5.006 -21.528 1.00 0.00 O ATOM 763 CB GLN A 52 -0.111 -1.851 -20.224 1.00 0.00 C ATOM 764 CG GLN A 52 1.250 -2.378 -19.799 1.00 0.00 C ATOM 765 CD GLN A 52 1.149 -3.562 -18.857 1.00 0.00 C ATOM 766 OE1 GLN A 52 0.115 -3.779 -18.224 1.00 0.00 O ATOM 767 NE2 GLN A 52 2.224 -4.335 -18.760 1.00 0.00 N ATOM 0 H GLN A 52 -2.083 -1.026 -21.489 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.037 -2.636 -22.222 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.012 -0.804 -20.511 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.787 -1.885 -19.370 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.815 -2.670 -20.684 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.809 -1.579 -19.313 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.059 -4.117 -19.303 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.215 -5.147 -18.142 1.00 0.00 H new ATOM 776 N ASP A 53 -1.858 -4.243 -19.966 1.00 0.00 N ATOM 777 CA ASP A 53 -2.196 -5.571 -19.469 1.00 0.00 C ATOM 778 C ASP A 53 -2.523 -6.516 -20.621 1.00 0.00 C ATOM 779 O ASP A 53 -2.041 -7.648 -20.664 1.00 0.00 O ATOM 780 CB ASP A 53 -3.381 -5.492 -18.506 1.00 0.00 C ATOM 781 CG ASP A 53 -2.996 -4.913 -17.159 1.00 0.00 C ATOM 782 OD1 ASP A 53 -1.915 -5.272 -16.646 1.00 0.00 O ATOM 783 OD2 ASP A 53 -3.775 -4.101 -16.617 1.00 0.00 O ATOM 0 H ASP A 53 -2.334 -3.479 -19.486 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.330 -5.963 -18.936 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.166 -4.880 -18.950 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.797 -6.490 -18.364 1.00 0.00 H new ATOM 788 N ALA A 54 -3.345 -6.044 -21.552 1.00 0.00 N ATOM 789 CA ALA A 54 -3.735 -6.846 -22.705 1.00 0.00 C ATOM 790 C ALA A 54 -2.513 -7.303 -23.494 1.00 0.00 C ATOM 791 O ALA A 54 -2.240 -8.499 -23.597 1.00 0.00 O ATOM 792 CB ALA A 54 -4.680 -6.058 -23.600 1.00 0.00 C ATOM 0 H ALA A 54 -3.754 -5.110 -21.530 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.253 -7.734 -22.341 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.963 -6.669 -24.457 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.573 -5.787 -23.037 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.182 -5.153 -23.948 1.00 0.00 H new ATOM 798 N LEU A 55 -1.782 -6.344 -24.051 1.00 0.00 N ATOM 799 CA LEU A 55 -0.589 -6.648 -24.833 1.00 0.00 C ATOM 800 C LEU A 55 0.297 -7.654 -24.105 1.00 0.00 C ATOM 801 O LEU A 55 0.856 -8.564 -24.718 1.00 0.00 O ATOM 802 CB LEU A 55 0.200 -5.368 -25.116 1.00 0.00 C ATOM 803 CG LEU A 55 -0.530 -4.296 -25.927 1.00 0.00 C ATOM 804 CD1 LEU A 55 0.261 -2.997 -25.927 1.00 0.00 C ATOM 805 CD2 LEU A 55 -0.771 -4.776 -27.350 1.00 0.00 C ATOM 0 H LEU A 55 -1.995 -5.349 -23.976 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.907 -7.088 -25.778 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.501 -4.932 -24.163 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.113 -5.638 -25.646 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.497 -4.109 -25.460 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.273 -2.246 -26.509 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.382 -2.645 -24.903 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.242 -3.168 -26.370 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.291 -4.001 -27.912 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.185 -4.992 -27.828 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.379 -5.680 -27.331 1.00 0.00 H new ATOM 817 N LYS A 56 0.420 -7.486 -22.793 1.00 0.00 N ATOM 818 CA LYS A 56 1.235 -8.380 -21.979 1.00 0.00 C ATOM 819 C LYS A 56 0.638 -9.783 -21.949 1.00 0.00 C ATOM 820 O LYS A 56 -0.428 -10.003 -21.372 1.00 0.00 O ATOM 821 CB LYS A 56 1.358 -7.836 -20.554 1.00 0.00 C ATOM 822 CG LYS A 56 2.107 -8.763 -19.612 1.00 0.00 C ATOM 823 CD LYS A 56 2.674 -8.008 -18.421 1.00 0.00 C ATOM 824 CE LYS A 56 3.044 -8.952 -17.288 1.00 0.00 C ATOM 825 NZ LYS A 56 4.011 -8.330 -16.341 1.00 0.00 N ATOM 0 H LYS A 56 -0.035 -6.738 -22.270 1.00 0.00 H new ATOM 0 HA LYS A 56 2.227 -8.435 -22.427 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.868 -6.873 -20.584 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.360 -7.656 -20.155 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.436 -9.547 -19.261 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.917 -9.255 -20.151 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.555 -7.447 -18.731 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.942 -7.282 -18.067 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.143 -9.242 -16.748 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.476 -9.864 -17.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.238 -9.005 -15.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.881 -8.076 -16.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.590 -7.474 -15.927 1.00 0.00 H new ATOM 839 N CYS A 57 1.331 -10.730 -22.572 1.00 0.00 N ATOM 840 CA CYS A 57 0.870 -12.113 -22.616 1.00 0.00 C ATOM 841 C CYS A 57 0.585 -12.636 -21.211 1.00 0.00 C ATOM 842 O CYS A 57 0.759 -11.920 -20.225 1.00 0.00 O ATOM 843 CB CYS A 57 1.914 -12.998 -23.299 1.00 0.00 C ATOM 844 SG CYS A 57 1.214 -14.446 -24.156 1.00 0.00 S ATOM 0 H CYS A 57 2.215 -10.565 -23.054 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.056 -12.144 -23.191 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.470 -12.397 -24.018 1.00 0.00 H new ATOM 0 HB3 CYS A 57 2.629 -13.342 -22.551 1.00 0.00 H new ATOM 0 HG CYS A 57 1.513 -14.388 -25.420 1.00 0.00 H new ATOM 849 N GLN A 58 0.146 -13.888 -21.129 1.00 0.00 N ATOM 850 CA GLN A 58 -0.163 -14.506 -19.846 1.00 0.00 C ATOM 851 C GLN A 58 0.625 -15.798 -19.659 1.00 0.00 C ATOM 852 O GLN A 58 1.075 -16.109 -18.556 1.00 0.00 O ATOM 853 CB GLN A 58 -1.663 -14.790 -19.741 1.00 0.00 C ATOM 854 CG GLN A 58 -2.496 -13.557 -19.431 1.00 0.00 C ATOM 855 CD GLN A 58 -2.725 -12.686 -20.650 1.00 0.00 C ATOM 856 OE1 GLN A 58 -2.575 -13.136 -21.787 1.00 0.00 O ATOM 857 NE2 GLN A 58 -3.090 -11.430 -20.421 1.00 0.00 N ATOM 0 H GLN A 58 -0.003 -14.494 -21.936 1.00 0.00 H new ATOM 0 HA GLN A 58 0.124 -13.810 -19.058 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.008 -15.225 -20.679 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.830 -15.536 -18.963 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.459 -13.866 -19.024 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.997 -12.971 -18.659 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.203 -11.098 -19.463 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.258 -10.797 -21.203 1.00 0.00 H new ATOM 866 N HIS A 59 0.789 -16.547 -20.745 1.00 0.00 N ATOM 867 CA HIS A 59 1.525 -17.806 -20.701 1.00 0.00 C ATOM 868 C HIS A 59 3.019 -17.557 -20.524 1.00 0.00 C ATOM 869 O HIS A 59 3.707 -18.307 -19.831 1.00 0.00 O ATOM 870 CB HIS A 59 1.278 -18.610 -21.978 1.00 0.00 C ATOM 871 CG HIS A 59 -0.130 -19.104 -22.112 1.00 0.00 C ATOM 872 ND1 HIS A 59 -0.709 -19.980 -21.219 1.00 0.00 N ATOM 873 CD2 HIS A 59 -1.077 -18.837 -23.042 1.00 0.00 C ATOM 874 CE1 HIS A 59 -1.950 -20.233 -21.594 1.00 0.00 C ATOM 875 NE2 HIS A 59 -2.198 -19.551 -22.698 1.00 0.00 N ATOM 0 H HIS A 59 0.423 -16.304 -21.665 1.00 0.00 H new ATOM 0 HA HIS A 59 1.167 -18.378 -19.845 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.520 -17.989 -22.841 1.00 0.00 H new ATOM 0 HB3 HIS A 59 1.957 -19.463 -21.998 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.970 -18.184 -23.896 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -2.644 -20.886 -21.085 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -3.079 -19.554 -23.211 1.00 0.00 H new ATOM 883 N CYS A 60 3.516 -16.498 -21.155 1.00 0.00 N ATOM 884 CA CYS A 60 4.929 -16.150 -21.068 1.00 0.00 C ATOM 885 C CYS A 60 5.128 -14.885 -20.238 1.00 0.00 C ATOM 886 O CYS A 60 6.162 -14.709 -19.594 1.00 0.00 O ATOM 887 CB CYS A 60 5.514 -15.951 -22.468 1.00 0.00 C ATOM 888 SG CYS A 60 4.921 -14.452 -23.316 1.00 0.00 S ATOM 0 H CYS A 60 2.961 -15.866 -21.732 1.00 0.00 H new ATOM 0 HA CYS A 60 5.450 -16.972 -20.577 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.601 -15.907 -22.393 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.271 -16.821 -23.078 1.00 0.00 H new ATOM 0 HG CYS A 60 5.489 -14.360 -24.482 1.00 0.00 H new ATOM 893 N ARG A 61 4.130 -14.007 -20.259 1.00 0.00 N ATOM 894 CA ARG A 61 4.195 -12.759 -19.509 1.00 0.00 C ATOM 895 C ARG A 61 5.248 -11.825 -20.099 1.00 0.00 C ATOM 896 O ARG A 61 6.078 -11.272 -19.377 1.00 0.00 O ATOM 897 CB ARG A 61 4.511 -13.037 -18.039 1.00 0.00 C ATOM 898 CG ARG A 61 3.608 -14.086 -17.410 1.00 0.00 C ATOM 899 CD ARG A 61 2.335 -13.464 -16.855 1.00 0.00 C ATOM 900 NE ARG A 61 2.506 -13.003 -15.480 1.00 0.00 N ATOM 901 CZ ARG A 61 1.495 -12.665 -14.687 1.00 0.00 C ATOM 902 NH1 ARG A 61 0.248 -12.737 -15.131 1.00 0.00 N ATOM 903 NH2 ARG A 61 1.731 -12.255 -13.447 1.00 0.00 N ATOM 0 H ARG A 61 3.267 -14.137 -20.787 1.00 0.00 H new ATOM 0 HA ARG A 61 3.222 -12.272 -19.578 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.547 -13.364 -17.954 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.423 -12.108 -17.475 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.352 -14.840 -18.154 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.144 -14.597 -16.610 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.037 -12.625 -17.484 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.527 -14.195 -16.895 1.00 0.00 H new ATOM 0 HE ARG A 61 3.453 -12.937 -15.108 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.063 -13.052 -16.083 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.527 -12.477 -14.520 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.689 -12.199 -13.102 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.954 -11.996 -12.839 1.00 0.00 H new ATOM 917 N LYS A 62 5.208 -11.653 -21.416 1.00 0.00 N ATOM 918 CA LYS A 62 6.157 -10.786 -22.104 1.00 0.00 C ATOM 919 C LYS A 62 5.457 -9.559 -22.677 1.00 0.00 C ATOM 920 O LYS A 62 4.369 -9.662 -23.242 1.00 0.00 O ATOM 921 CB LYS A 62 6.861 -11.555 -23.225 1.00 0.00 C ATOM 922 CG LYS A 62 8.022 -12.407 -22.743 1.00 0.00 C ATOM 923 CD LYS A 62 8.305 -13.555 -23.698 1.00 0.00 C ATOM 924 CE LYS A 62 8.973 -14.721 -22.985 1.00 0.00 C ATOM 925 NZ LYS A 62 9.042 -15.932 -23.848 1.00 0.00 N ATOM 0 H LYS A 62 4.528 -12.103 -22.029 1.00 0.00 H new ATOM 0 HA LYS A 62 6.899 -10.453 -21.378 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.135 -12.195 -23.726 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.226 -10.845 -23.967 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.913 -11.787 -22.644 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.797 -12.803 -21.753 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.372 -13.891 -24.152 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.946 -13.207 -24.508 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.980 -14.433 -22.682 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.421 -14.955 -22.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.504 -16.704 -23.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.080 -16.222 -24.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.591 -15.717 -24.705 1.00 0.00 H new ATOM 939 N GLN A 63 6.088 -8.399 -22.527 1.00 0.00 N ATOM 940 CA GLN A 63 5.524 -7.152 -23.031 1.00 0.00 C ATOM 941 C GLN A 63 5.784 -7.002 -24.526 1.00 0.00 C ATOM 942 O GLN A 63 6.882 -7.284 -25.007 1.00 0.00 O ATOM 943 CB GLN A 63 6.114 -5.959 -22.276 1.00 0.00 C ATOM 944 CG GLN A 63 5.442 -4.637 -22.608 1.00 0.00 C ATOM 945 CD GLN A 63 4.154 -4.427 -21.837 1.00 0.00 C ATOM 946 OE1 GLN A 63 4.171 -4.036 -20.670 1.00 0.00 O ATOM 947 NE2 GLN A 63 3.026 -4.688 -22.488 1.00 0.00 N ATOM 0 H GLN A 63 6.989 -8.296 -22.061 1.00 0.00 H new ATOM 0 HA GLN A 63 4.446 -7.178 -22.869 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.031 -6.140 -21.204 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.177 -5.884 -22.505 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.129 -3.820 -22.389 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.231 -4.599 -23.677 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.058 -5.010 -23.455 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.128 -4.566 -22.021 1.00 0.00 H new ATOM 956 N PHE A 64 4.768 -6.556 -25.256 1.00 0.00 N ATOM 957 CA PHE A 64 4.886 -6.369 -26.698 1.00 0.00 C ATOM 958 C PHE A 64 4.443 -4.966 -27.103 1.00 0.00 C ATOM 959 O PHE A 64 3.300 -4.572 -26.871 1.00 0.00 O ATOM 960 CB PHE A 64 4.049 -7.414 -27.439 1.00 0.00 C ATOM 961 CG PHE A 64 4.618 -8.802 -27.363 1.00 0.00 C ATOM 962 CD1 PHE A 64 4.394 -9.597 -26.250 1.00 0.00 C ATOM 963 CD2 PHE A 64 5.378 -9.312 -28.403 1.00 0.00 C ATOM 964 CE1 PHE A 64 4.916 -10.875 -26.177 1.00 0.00 C ATOM 965 CE2 PHE A 64 5.902 -10.589 -28.336 1.00 0.00 C ATOM 966 CZ PHE A 64 5.672 -11.371 -27.221 1.00 0.00 C ATOM 0 H PHE A 64 3.853 -6.317 -24.873 1.00 0.00 H new ATOM 0 HA PHE A 64 5.934 -6.493 -26.971 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.041 -7.420 -27.025 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.962 -7.122 -28.486 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.805 -9.214 -25.430 1.00 0.00 H new ATOM 0 HD2 PHE A 64 5.563 -8.704 -29.276 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.733 -11.485 -25.305 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.491 -10.975 -29.155 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.083 -12.368 -27.166 1.00 0.00 H new ATOM 976 N LYS A 65 5.357 -4.216 -27.709 1.00 0.00 N ATOM 977 CA LYS A 65 5.063 -2.857 -28.148 1.00 0.00 C ATOM 978 C LYS A 65 4.365 -2.862 -29.504 1.00 0.00 C ATOM 979 O LYS A 65 4.653 -2.030 -30.364 1.00 0.00 O ATOM 980 CB LYS A 65 6.352 -2.036 -28.229 1.00 0.00 C ATOM 981 CG LYS A 65 6.120 -0.535 -28.191 1.00 0.00 C ATOM 982 CD LYS A 65 6.093 -0.011 -26.766 1.00 0.00 C ATOM 983 CE LYS A 65 7.496 0.249 -26.240 1.00 0.00 C ATOM 984 NZ LYS A 65 8.111 1.450 -26.871 1.00 0.00 N ATOM 0 H LYS A 65 6.308 -4.527 -27.907 1.00 0.00 H new ATOM 0 HA LYS A 65 4.394 -2.402 -27.417 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.004 -2.316 -27.401 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.878 -2.291 -29.149 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.907 -0.030 -28.750 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.177 -0.299 -28.684 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.512 0.911 -26.727 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.590 -0.732 -26.122 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.459 0.385 -25.159 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.123 -0.622 -26.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.933 1.754 -26.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.418 1.216 -27.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.412 2.220 -26.907 1.00 0.00 H new ATOM 998 N SER A 66 3.446 -3.805 -29.689 1.00 0.00 N ATOM 999 CA SER A 66 2.709 -3.919 -30.941 1.00 0.00 C ATOM 1000 C SER A 66 1.598 -4.959 -30.825 1.00 0.00 C ATOM 1001 O SER A 66 1.854 -6.130 -30.545 1.00 0.00 O ATOM 1002 CB SER A 66 3.656 -4.294 -32.083 1.00 0.00 C ATOM 1003 OG SER A 66 3.153 -3.847 -33.330 1.00 0.00 O ATOM 0 H SER A 66 3.195 -4.501 -28.987 1.00 0.00 H new ATOM 0 HA SER A 66 2.256 -2.951 -31.156 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.638 -3.855 -31.905 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.790 -5.375 -32.108 1.00 0.00 H new ATOM 0 HG SER A 66 3.777 -4.097 -34.043 1.00 0.00 H new ATOM 1009 N LYS A 67 0.363 -4.522 -31.042 1.00 0.00 N ATOM 1010 CA LYS A 67 -0.789 -5.412 -30.964 1.00 0.00 C ATOM 1011 C LYS A 67 -0.684 -6.530 -31.996 1.00 0.00 C ATOM 1012 O LYS A 67 -0.881 -7.702 -31.677 1.00 0.00 O ATOM 1013 CB LYS A 67 -2.084 -4.625 -31.179 1.00 0.00 C ATOM 1014 CG LYS A 67 -3.340 -5.458 -30.993 1.00 0.00 C ATOM 1015 CD LYS A 67 -3.567 -5.806 -29.532 1.00 0.00 C ATOM 1016 CE LYS A 67 -4.488 -7.007 -29.381 1.00 0.00 C ATOM 1017 NZ LYS A 67 -4.930 -7.193 -27.971 1.00 0.00 N ATOM 0 H LYS A 67 0.134 -3.555 -31.274 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.804 -5.859 -29.970 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.109 -3.786 -30.484 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.082 -4.206 -32.185 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.201 -4.910 -31.375 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.260 -6.374 -31.578 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.610 -6.018 -29.055 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.998 -4.948 -29.015 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.361 -6.878 -30.021 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.973 -7.905 -29.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.556 -8.021 -27.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.099 -7.341 -27.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.444 -6.346 -27.654 1.00 0.00 H new ATOM 1031 N ALA A 68 -0.371 -6.160 -33.233 1.00 0.00 N ATOM 1032 CA ALA A 68 -0.236 -7.132 -34.311 1.00 0.00 C ATOM 1033 C ALA A 68 0.880 -8.128 -34.015 1.00 0.00 C ATOM 1034 O ALA A 68 0.759 -9.317 -34.308 1.00 0.00 O ATOM 1035 CB ALA A 68 0.024 -6.423 -35.632 1.00 0.00 C ATOM 0 H ALA A 68 -0.206 -5.193 -33.514 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.172 -7.686 -34.387 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.123 -7.161 -36.428 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.808 -5.756 -35.857 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.944 -5.843 -35.559 1.00 0.00 H new ATOM 1041 N GLY A 69 1.969 -7.635 -33.431 1.00 0.00 N ATOM 1042 CA GLY A 69 3.091 -8.496 -33.106 1.00 0.00 C ATOM 1043 C GLY A 69 2.732 -9.553 -32.081 1.00 0.00 C ATOM 1044 O GLY A 69 3.221 -10.682 -32.145 1.00 0.00 O ATOM 0 H GLY A 69 2.094 -6.655 -33.177 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.448 -8.981 -34.014 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.912 -7.889 -32.725 1.00 0.00 H new ATOM 1048 N LEU A 70 1.878 -9.188 -31.131 1.00 0.00 N ATOM 1049 CA LEU A 70 1.456 -10.114 -30.085 1.00 0.00 C ATOM 1050 C LEU A 70 0.659 -11.273 -30.674 1.00 0.00 C ATOM 1051 O LEU A 70 0.890 -12.433 -30.336 1.00 0.00 O ATOM 1052 CB LEU A 70 0.615 -9.382 -29.038 1.00 0.00 C ATOM 1053 CG LEU A 70 -0.060 -10.261 -27.985 1.00 0.00 C ATOM 1054 CD1 LEU A 70 0.970 -10.810 -27.009 1.00 0.00 C ATOM 1055 CD2 LEU A 70 -1.134 -9.477 -27.244 1.00 0.00 C ATOM 0 H LEU A 70 1.464 -8.258 -31.063 1.00 0.00 H new ATOM 0 HA LEU A 70 2.349 -10.517 -29.608 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.254 -8.663 -28.526 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.157 -8.812 -29.555 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.536 -11.101 -28.491 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.472 -11.433 -26.267 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.703 -11.407 -27.551 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.474 -9.983 -26.509 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.604 -10.119 -26.498 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.681 -8.618 -26.750 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.887 -9.133 -27.953 1.00 0.00 H new ATOM 1067 N ASN A 71 -0.279 -10.951 -31.559 1.00 0.00 N ATOM 1068 CA ASN A 71 -1.110 -11.966 -32.196 1.00 0.00 C ATOM 1069 C ASN A 71 -0.250 -13.081 -32.785 1.00 0.00 C ATOM 1070 O ASN A 71 -0.501 -14.263 -32.549 1.00 0.00 O ATOM 1071 CB ASN A 71 -1.970 -11.336 -33.294 1.00 0.00 C ATOM 1072 CG ASN A 71 -3.153 -10.571 -32.733 1.00 0.00 C ATOM 1073 OD1 ASN A 71 -4.014 -11.141 -32.062 1.00 0.00 O ATOM 1074 ND2 ASN A 71 -3.201 -9.272 -33.007 1.00 0.00 N ATOM 0 H ASN A 71 -0.483 -9.995 -31.851 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.762 -12.396 -31.436 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.356 -10.663 -33.892 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.330 -12.117 -33.963 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.974 -8.705 -32.657 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.465 -8.841 -33.567 1.00 0.00 H new ATOM 1081 N TYR A 72 0.764 -12.696 -33.552 1.00 0.00 N ATOM 1082 CA TYR A 72 1.660 -13.662 -34.177 1.00 0.00 C ATOM 1083 C TYR A 72 2.351 -14.523 -33.124 1.00 0.00 C ATOM 1084 O TYR A 72 2.283 -15.751 -33.167 1.00 0.00 O ATOM 1085 CB TYR A 72 2.705 -12.942 -35.030 1.00 0.00 C ATOM 1086 CG TYR A 72 3.540 -13.874 -35.879 1.00 0.00 C ATOM 1087 CD1 TYR A 72 2.942 -14.785 -36.740 1.00 0.00 C ATOM 1088 CD2 TYR A 72 4.928 -13.842 -35.819 1.00 0.00 C ATOM 1089 CE1 TYR A 72 3.702 -15.639 -37.516 1.00 0.00 C ATOM 1090 CE2 TYR A 72 5.696 -14.692 -36.592 1.00 0.00 C ATOM 1091 CZ TYR A 72 5.078 -15.588 -37.439 1.00 0.00 C ATOM 1092 OH TYR A 72 5.838 -16.436 -38.211 1.00 0.00 O ATOM 0 H TYR A 72 0.986 -11.722 -33.756 1.00 0.00 H new ATOM 0 HA TYR A 72 1.064 -14.312 -34.818 1.00 0.00 H new ATOM 0 HB2 TYR A 72 2.201 -12.226 -35.679 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.364 -12.371 -34.376 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.865 -14.827 -36.804 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.415 -13.141 -35.157 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.221 -16.343 -38.179 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.774 -14.655 -36.533 1.00 0.00 H new ATOM 0 HH TYR A 72 6.789 -16.271 -38.039 1.00 0.00 H new ATOM 1102 N HIS A 73 3.018 -13.868 -32.179 1.00 0.00 N ATOM 1103 CA HIS A 73 3.723 -14.572 -31.113 1.00 0.00 C ATOM 1104 C HIS A 73 2.794 -15.554 -30.405 1.00 0.00 C ATOM 1105 O HIS A 73 3.079 -16.750 -30.329 1.00 0.00 O ATOM 1106 CB HIS A 73 4.294 -13.575 -30.105 1.00 0.00 C ATOM 1107 CG HIS A 73 4.327 -14.095 -28.701 1.00 0.00 C ATOM 1108 ND1 HIS A 73 3.346 -14.206 -27.775 1.00 0.00 N flip ATOM 1109 CD2 HIS A 73 5.472 -14.575 -28.103 1.00 0.00 C flip ATOM 1110 CE1 HIS A 73 3.910 -14.747 -26.646 1.00 0.00 C flip ATOM 1111 NE2 HIS A 73 5.194 -14.961 -26.870 1.00 0.00 N flip ATOM 0 H HIS A 73 3.085 -12.851 -32.129 1.00 0.00 H new ATOM 0 HA HIS A 73 4.543 -15.133 -31.561 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.306 -13.304 -30.407 1.00 0.00 H new ATOM 0 HB3 HIS A 73 3.698 -12.662 -30.132 1.00 0.00 H new ATOM 0 HD2 HIS A 73 6.445 -14.628 -28.569 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.389 -14.962 -25.725 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.858 -15.357 -26.205 1.00 0.00 H new ATOM 1119 N THR A 74 1.682 -15.041 -29.887 1.00 0.00 N ATOM 1120 CA THR A 74 0.713 -15.872 -29.183 1.00 0.00 C ATOM 1121 C THR A 74 0.589 -17.244 -29.835 1.00 0.00 C ATOM 1122 O THR A 74 0.885 -18.265 -29.216 1.00 0.00 O ATOM 1123 CB THR A 74 -0.675 -15.206 -29.145 1.00 0.00 C ATOM 1124 OG1 THR A 74 -0.581 -13.910 -28.543 1.00 0.00 O ATOM 1125 CG2 THR A 74 -1.665 -16.061 -28.369 1.00 0.00 C ATOM 0 H THR A 74 1.430 -14.054 -29.942 1.00 0.00 H new ATOM 0 HA THR A 74 1.079 -15.990 -28.163 1.00 0.00 H new ATOM 0 HB THR A 74 -1.032 -15.105 -30.170 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.191 -13.279 -29.184 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.638 -15.570 -28.356 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.757 -17.036 -28.848 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.310 -16.191 -27.346 1.00 0.00 H new ATOM 1133 N MET A 75 0.149 -17.260 -31.089 1.00 0.00 N ATOM 1134 CA MET A 75 -0.013 -18.508 -31.826 1.00 0.00 C ATOM 1135 C MET A 75 1.332 -19.201 -32.024 1.00 0.00 C ATOM 1136 O MET A 75 1.461 -20.403 -31.794 1.00 0.00 O ATOM 1137 CB MET A 75 -0.667 -18.243 -33.183 1.00 0.00 C ATOM 1138 CG MET A 75 -0.627 -19.439 -34.121 1.00 0.00 C ATOM 1139 SD MET A 75 -1.870 -19.341 -35.424 1.00 0.00 S ATOM 1140 CE MET A 75 -0.902 -18.651 -36.764 1.00 0.00 C ATOM 0 H MET A 75 -0.102 -16.423 -31.616 1.00 0.00 H new ATOM 0 HA MET A 75 -0.658 -19.164 -31.242 1.00 0.00 H new ATOM 0 HB2 MET A 75 -1.705 -17.950 -33.026 1.00 0.00 H new ATOM 0 HB3 MET A 75 -0.166 -17.401 -33.660 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.363 -19.509 -34.573 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.780 -20.352 -33.546 1.00 0.00 H new ATOM 0 HE1 MET A 75 -1.533 -18.530 -37.644 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.507 -17.680 -36.465 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.076 -19.322 -36.999 1.00 0.00 H new ATOM 1150 N ALA A 76 2.330 -18.435 -32.451 1.00 0.00 N ATOM 1151 CA ALA A 76 3.665 -18.975 -32.678 1.00 0.00 C ATOM 1152 C ALA A 76 4.111 -19.845 -31.508 1.00 0.00 C ATOM 1153 O ALA A 76 4.356 -21.040 -31.670 1.00 0.00 O ATOM 1154 CB ALA A 76 4.659 -17.846 -32.909 1.00 0.00 C ATOM 0 H ALA A 76 2.239 -17.438 -32.647 1.00 0.00 H new ATOM 0 HA ALA A 76 3.630 -19.601 -33.570 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.652 -18.264 -33.077 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.356 -17.268 -33.782 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.682 -17.197 -32.034 1.00 0.00 H new ATOM 1160 N GLU A 77 4.216 -19.237 -30.331 1.00 0.00 N ATOM 1161 CA GLU A 77 4.634 -19.957 -29.134 1.00 0.00 C ATOM 1162 C GLU A 77 3.448 -20.659 -28.478 1.00 0.00 C ATOM 1163 O GLU A 77 3.482 -21.866 -28.238 1.00 0.00 O ATOM 1164 CB GLU A 77 5.289 -18.998 -28.137 1.00 0.00 C ATOM 1165 CG GLU A 77 6.780 -18.813 -28.361 1.00 0.00 C ATOM 1166 CD GLU A 77 7.505 -20.126 -28.583 1.00 0.00 C ATOM 1167 OE1 GLU A 77 7.254 -21.080 -27.817 1.00 0.00 O ATOM 1168 OE2 GLU A 77 8.324 -20.199 -29.523 1.00 0.00 O ATOM 0 H GLU A 77 4.017 -18.248 -30.181 1.00 0.00 H new ATOM 0 HA GLU A 77 5.361 -20.712 -29.432 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.797 -18.028 -28.202 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.125 -19.371 -27.126 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.936 -18.166 -29.224 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.213 -18.305 -27.499 1.00 0.00 H new ATOM 1175 N HIS A 78 2.401 -19.893 -28.191 1.00 0.00 N ATOM 1176 CA HIS A 78 1.203 -20.440 -27.563 1.00 0.00 C ATOM 1177 C HIS A 78 0.111 -20.688 -28.599 1.00 0.00 C ATOM 1178 O HIS A 78 -0.814 -19.889 -28.744 1.00 0.00 O ATOM 1179 CB HIS A 78 0.690 -19.490 -26.481 1.00 0.00 C ATOM 1180 CG HIS A 78 1.780 -18.774 -25.745 1.00 0.00 C ATOM 1181 ND1 HIS A 78 2.952 -19.387 -25.354 1.00 0.00 N ATOM 1182 CD2 HIS A 78 1.873 -17.489 -25.329 1.00 0.00 C ATOM 1183 CE1 HIS A 78 3.718 -18.511 -24.729 1.00 0.00 C ATOM 1184 NE2 HIS A 78 3.086 -17.351 -24.701 1.00 0.00 N ATOM 0 H HIS A 78 2.357 -18.892 -28.383 1.00 0.00 H new ATOM 0 HA HIS A 78 1.466 -21.393 -27.104 1.00 0.00 H new ATOM 0 HB2 HIS A 78 0.029 -18.755 -26.939 1.00 0.00 H new ATOM 0 HB3 HIS A 78 0.092 -20.056 -25.767 1.00 0.00 H new ATOM 0 HD2 HIS A 78 1.131 -16.716 -25.466 1.00 0.00 H new ATOM 0 HE1 HIS A 78 4.694 -18.709 -24.312 1.00 0.00 H new ATOM 0 HE2 HIS A 78 3.442 -16.492 -24.281 1.00 0.00 H new