USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 875 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 54 SER OG : rot 180:sc= 0.194 USER MOD Set 1.2: A 71 ASN : amide:sc= -0.246 K(o=-0.053,f=-2!) USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 67 HIS : no HE2:sc= -2.98! C(o=-3!,f=-3.8!) USER MOD Set 3.1: A 23 TYR OH : rot 130:sc= 0 USER MOD Set 3.2: A 34 MET CE :methyl 141:sc= -3.58! (180deg=-8.07!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.305 F(o=-1.5,f=-0.3) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 170:sc= -0.164 USER MOD Single : A 76 HIS : no HD1:sc= -2.23 X(o=-2.2,f=-1.9) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 150:sc= -0.245 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc=-0.00223 X(o=-0.0022,f=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 136:sc= -0.642 (180deg=-2.4!) USER MOD Single : A 104 MET CE :methyl 131:sc= -0.833 (180deg=-4.68!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.256 USER MOD Single : A 119 SER OG : rot 83:sc= 0.292 USER MOD ----------------------------------------------------------------- ATOM 150 N ASN A 14 -1.465 -9.756 -10.678 1.00 0.00 N ATOM 151 CA ASN A 14 -1.908 -8.918 -9.570 1.00 0.00 C ATOM 152 C ASN A 14 -1.571 -7.453 -9.827 1.00 0.00 C ATOM 153 O ASN A 14 -0.434 -7.012 -9.654 1.00 0.00 O ATOM 154 CB ASN A 14 -1.261 -9.381 -8.263 1.00 0.00 C ATOM 155 CG ASN A 14 -1.034 -10.880 -8.229 1.00 0.00 C ATOM 156 OD1 ASN A 14 -1.965 -11.664 -8.416 1.00 0.00 O ATOM 157 ND2 ASN A 14 0.207 -11.285 -7.988 1.00 0.00 N ATOM 0 HA ASN A 14 -2.991 -9.013 -9.485 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.308 -8.869 -8.131 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.896 -9.093 -7.425 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.420 -12.282 -7.952 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.947 -10.599 -7.839 1.00 0.00 H new ATOM 164 N PRO A 15 -2.581 -6.678 -10.249 1.00 0.00 N ATOM 165 CA PRO A 15 -2.417 -5.251 -10.538 1.00 0.00 C ATOM 166 C PRO A 15 -2.184 -4.427 -9.277 1.00 0.00 C ATOM 167 O PRO A 15 -1.296 -3.574 -9.235 1.00 0.00 O ATOM 168 CB PRO A 15 -3.747 -4.865 -11.190 1.00 0.00 C ATOM 169 CG PRO A 15 -4.728 -5.856 -10.665 1.00 0.00 C ATOM 170 CD PRO A 15 -3.962 -7.137 -10.477 1.00 0.00 C ATOM 0 HA PRO A 15 -1.547 -5.061 -11.167 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.035 -3.847 -10.929 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.683 -4.909 -12.277 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.159 -5.517 -9.723 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -5.554 -5.994 -11.362 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.340 -7.711 -9.631 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.032 -7.780 -11.355 1.00 0.00 H new ATOM 178 N HIS A 16 -2.986 -4.687 -8.249 1.00 0.00 N ATOM 179 CA HIS A 16 -2.866 -3.969 -6.985 1.00 0.00 C ATOM 180 C HIS A 16 -1.433 -4.025 -6.463 1.00 0.00 C ATOM 181 O HIS A 16 -1.031 -3.203 -5.640 1.00 0.00 O ATOM 182 CB HIS A 16 -3.822 -4.558 -5.947 1.00 0.00 C ATOM 183 CG HIS A 16 -3.442 -5.934 -5.495 1.00 0.00 C ATOM 184 ND1 HIS A 16 -2.662 -6.344 -4.467 1.00 0.00 N flip ATOM 185 CD2 HIS A 16 -3.875 -7.081 -6.126 1.00 0.00 C flip ATOM 186 CE1 HIS A 16 -2.640 -7.717 -4.496 1.00 0.00 C flip ATOM 187 NE2 HIS A 16 -3.380 -8.137 -5.506 1.00 0.00 N flip ATOM 0 H HIS A 16 -3.726 -5.389 -8.267 1.00 0.00 H new ATOM 0 HA HIS A 16 -3.130 -2.926 -7.161 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -3.857 -3.897 -5.081 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -4.828 -4.587 -6.367 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -4.519 -7.111 -6.993 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.104 -8.351 -3.805 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -3.542 -9.111 -5.763 1.00 0.00 H new ATOM 196 N GLU A 17 -0.669 -4.999 -6.947 1.00 0.00 N ATOM 197 CA GLU A 17 0.718 -5.161 -6.527 1.00 0.00 C ATOM 198 C GLU A 17 1.662 -4.426 -7.474 1.00 0.00 C ATOM 199 O GLU A 17 2.754 -4.013 -7.082 1.00 0.00 O ATOM 200 CB GLU A 17 1.087 -6.645 -6.471 1.00 0.00 C ATOM 201 CG GLU A 17 2.544 -6.922 -6.801 1.00 0.00 C ATOM 202 CD GLU A 17 3.032 -8.238 -6.225 1.00 0.00 C ATOM 203 OE1 GLU A 17 2.319 -8.814 -5.377 1.00 0.00 O ATOM 204 OE2 GLU A 17 4.125 -8.691 -6.623 1.00 0.00 O ATOM 0 H GLU A 17 -0.987 -5.687 -7.630 1.00 0.00 H new ATOM 0 HA GLU A 17 0.822 -4.730 -5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.870 -7.027 -5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.454 -7.195 -7.168 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.672 -6.934 -7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.161 -6.110 -6.416 1.00 0.00 H new ATOM 211 N SER A 18 1.234 -4.267 -8.722 1.00 0.00 N ATOM 212 CA SER A 18 2.042 -3.585 -9.727 1.00 0.00 C ATOM 213 C SER A 18 1.826 -2.076 -9.666 1.00 0.00 C ATOM 214 O SER A 18 2.429 -1.320 -10.427 1.00 0.00 O ATOM 215 CB SER A 18 1.701 -4.105 -11.124 1.00 0.00 C ATOM 216 OG SER A 18 2.349 -5.338 -11.383 1.00 0.00 O ATOM 0 H SER A 18 0.332 -4.601 -9.062 1.00 0.00 H new ATOM 0 HA SER A 18 3.091 -3.792 -9.516 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.622 -4.232 -11.215 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.999 -3.370 -11.872 1.00 0.00 H new ATOM 0 HG SER A 18 2.113 -5.649 -12.282 1.00 0.00 H new ATOM 222 N LYS A 19 0.961 -1.645 -8.754 1.00 0.00 N ATOM 223 CA LYS A 19 0.665 -0.227 -8.590 1.00 0.00 C ATOM 224 C LYS A 19 1.869 0.519 -8.023 1.00 0.00 C ATOM 225 O LYS A 19 2.668 -0.030 -7.264 1.00 0.00 O ATOM 226 CB LYS A 19 -0.544 -0.040 -7.670 1.00 0.00 C ATOM 227 CG LYS A 19 -1.860 -0.455 -8.304 1.00 0.00 C ATOM 228 CD LYS A 19 -2.223 0.444 -9.474 1.00 0.00 C ATOM 229 CE LYS A 19 -3.726 0.477 -9.706 1.00 0.00 C ATOM 230 NZ LYS A 19 -4.132 1.640 -10.543 1.00 0.00 N ATOM 0 H LYS A 19 0.452 -2.258 -8.117 1.00 0.00 H new ATOM 0 HA LYS A 19 0.434 0.186 -9.572 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.390 -0.619 -6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.607 1.007 -7.375 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.791 -1.488 -8.645 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.652 -0.419 -7.557 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.861 1.454 -9.284 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.722 0.090 -10.375 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.039 -0.447 -10.192 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.241 0.523 -8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.163 1.627 -10.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.856 2.523 -10.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.661 1.583 -11.468 1.00 0.00 H new ATOM 244 N PRO A 20 2.002 1.800 -8.398 1.00 0.00 N ATOM 245 CA PRO A 20 3.105 2.648 -7.936 1.00 0.00 C ATOM 246 C PRO A 20 2.992 2.991 -6.455 1.00 0.00 C ATOM 247 O PRO A 20 4.000 3.138 -5.763 1.00 0.00 O ATOM 248 CB PRO A 20 2.962 3.911 -8.790 1.00 0.00 C ATOM 249 CG PRO A 20 1.522 3.952 -9.167 1.00 0.00 C ATOM 250 CD PRO A 20 1.087 2.518 -9.300 1.00 0.00 C ATOM 0 HA PRO A 20 4.071 2.153 -8.040 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.250 4.801 -8.231 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.601 3.867 -9.672 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.935 4.469 -8.408 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.379 4.492 -10.103 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.046 2.385 -9.006 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.176 2.165 -10.327 1.00 0.00 H new ATOM 258 N TRP A 21 1.760 3.117 -5.974 1.00 0.00 N ATOM 259 CA TRP A 21 1.516 3.442 -4.574 1.00 0.00 C ATOM 260 C TRP A 21 1.478 2.180 -3.720 1.00 0.00 C ATOM 261 O TRP A 21 1.296 2.246 -2.504 1.00 0.00 O ATOM 262 CB TRP A 21 0.201 4.211 -4.429 1.00 0.00 C ATOM 263 CG TRP A 21 -0.920 3.627 -5.235 1.00 0.00 C ATOM 264 CD1 TRP A 21 -1.461 4.141 -6.378 1.00 0.00 C ATOM 265 CD2 TRP A 21 -1.636 2.419 -4.957 1.00 0.00 C ATOM 266 NE1 TRP A 21 -2.472 3.326 -6.828 1.00 0.00 N ATOM 267 CE2 TRP A 21 -2.598 2.262 -5.974 1.00 0.00 C ATOM 268 CE3 TRP A 21 -1.557 1.453 -3.950 1.00 0.00 C ATOM 269 CZ2 TRP A 21 -3.474 1.180 -6.010 1.00 0.00 C ATOM 270 CZ3 TRP A 21 -2.427 0.380 -3.987 1.00 0.00 C ATOM 271 CH2 TRP A 21 -3.375 0.250 -5.011 1.00 0.00 C ATOM 0 H TRP A 21 0.915 2.999 -6.533 1.00 0.00 H new ATOM 0 HA TRP A 21 2.336 4.069 -4.225 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -0.087 4.229 -3.378 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.358 5.246 -4.734 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.141 5.054 -6.858 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.037 3.487 -7.662 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -0.829 1.544 -3.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.205 1.078 -6.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -2.376 -0.372 -3.213 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.040 -0.601 -5.012 1.00 0.00 H new ATOM 282 N TYR A 22 1.651 1.031 -4.363 1.00 0.00 N ATOM 283 CA TYR A 22 1.634 -0.248 -3.662 1.00 0.00 C ATOM 284 C TYR A 22 3.023 -0.601 -3.140 1.00 0.00 C ATOM 285 O TYR A 22 3.975 -0.732 -3.910 1.00 0.00 O ATOM 286 CB TYR A 22 1.130 -1.355 -4.589 1.00 0.00 C ATOM 287 CG TYR A 22 1.350 -2.748 -4.045 1.00 0.00 C ATOM 288 CD1 TYR A 22 2.534 -3.432 -4.289 1.00 0.00 C ATOM 289 CD2 TYR A 22 0.373 -3.380 -3.284 1.00 0.00 C ATOM 290 CE1 TYR A 22 2.739 -4.705 -3.794 1.00 0.00 C ATOM 291 CE2 TYR A 22 0.570 -4.653 -2.784 1.00 0.00 C ATOM 292 CZ TYR A 22 1.754 -5.311 -3.042 1.00 0.00 C ATOM 293 OH TYR A 22 1.955 -6.579 -2.545 1.00 0.00 O ATOM 0 H TYR A 22 1.805 0.959 -5.369 1.00 0.00 H new ATOM 0 HA TYR A 22 0.957 -0.158 -2.812 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.065 -1.209 -4.770 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.632 -1.267 -5.552 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.308 -2.960 -4.876 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.555 -2.867 -3.080 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.665 -5.223 -3.995 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.199 -5.130 -2.194 1.00 0.00 H new ATOM 0 HH TYR A 22 1.166 -6.860 -2.037 1.00 0.00 H new ATOM 303 N TYR A 23 3.132 -0.754 -1.825 1.00 0.00 N ATOM 304 CA TYR A 23 4.404 -1.090 -1.197 1.00 0.00 C ATOM 305 C TYR A 23 4.409 -2.538 -0.716 1.00 0.00 C ATOM 306 O TYR A 23 3.386 -3.059 -0.270 1.00 0.00 O ATOM 307 CB TYR A 23 4.681 -0.151 -0.022 1.00 0.00 C ATOM 308 CG TYR A 23 5.005 1.265 -0.443 1.00 0.00 C ATOM 309 CD1 TYR A 23 6.300 1.626 -0.797 1.00 0.00 C ATOM 310 CD2 TYR A 23 4.018 2.242 -0.486 1.00 0.00 C ATOM 311 CE1 TYR A 23 6.601 2.919 -1.181 1.00 0.00 C ATOM 312 CE2 TYR A 23 4.310 3.536 -0.870 1.00 0.00 C ATOM 313 CZ TYR A 23 5.602 3.870 -1.217 1.00 0.00 C ATOM 314 OH TYR A 23 5.897 5.158 -1.599 1.00 0.00 O ATOM 0 H TYR A 23 2.354 -0.651 -1.173 1.00 0.00 H new ATOM 0 HA TYR A 23 5.190 -0.971 -1.943 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.810 -0.136 0.634 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.512 -0.547 0.561 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.084 0.884 -0.771 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.005 1.985 -0.214 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.613 3.184 -1.451 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.530 4.283 -0.898 1.00 0.00 H new ATOM 0 HH TYR A 23 5.263 5.448 -2.287 1.00 0.00 H new ATOM 324 N ASP A 24 5.567 -3.182 -0.811 1.00 0.00 N ATOM 325 CA ASP A 24 5.707 -4.570 -0.384 1.00 0.00 C ATOM 326 C ASP A 24 6.817 -4.710 0.653 1.00 0.00 C ATOM 327 O ASP A 24 6.710 -5.504 1.587 1.00 0.00 O ATOM 328 CB ASP A 24 5.999 -5.468 -1.587 1.00 0.00 C ATOM 329 CG ASP A 24 7.124 -4.932 -2.450 1.00 0.00 C ATOM 330 OD1 ASP A 24 7.120 -3.718 -2.744 1.00 0.00 O ATOM 331 OD2 ASP A 24 8.009 -5.726 -2.831 1.00 0.00 O ATOM 0 H ASP A 24 6.422 -2.766 -1.180 1.00 0.00 H new ATOM 0 HA ASP A 24 4.767 -4.881 0.072 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.258 -6.467 -1.237 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.097 -5.566 -2.191 1.00 0.00 H new ATOM 336 N ARG A 25 7.882 -3.934 0.481 1.00 0.00 N ATOM 337 CA ARG A 25 9.013 -3.974 1.400 1.00 0.00 C ATOM 338 C ARG A 25 9.137 -2.660 2.166 1.00 0.00 C ATOM 339 O ARG A 25 10.241 -2.166 2.398 1.00 0.00 O ATOM 340 CB ARG A 25 10.308 -4.257 0.638 1.00 0.00 C ATOM 341 CG ARG A 25 10.375 -3.579 -0.721 1.00 0.00 C ATOM 342 CD ARG A 25 11.576 -4.056 -1.523 1.00 0.00 C ATOM 343 NE ARG A 25 11.810 -3.228 -2.703 1.00 0.00 N ATOM 344 CZ ARG A 25 12.922 -3.279 -3.428 1.00 0.00 C ATOM 345 NH1 ARG A 25 13.897 -4.114 -3.095 1.00 0.00 N ATOM 346 NH2 ARG A 25 13.061 -2.494 -4.489 1.00 0.00 N ATOM 0 H ARG A 25 7.985 -3.270 -0.286 1.00 0.00 H new ATOM 0 HA ARG A 25 8.839 -4.777 2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.154 -3.928 1.241 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.413 -5.334 0.503 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.460 -3.784 -1.277 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.431 -2.499 -0.587 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.463 -4.043 -0.890 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.419 -5.090 -1.831 1.00 0.00 H new ATOM 0 HE ARG A 25 11.080 -2.575 -2.986 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.794 -4.719 -2.280 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.750 -4.151 -3.654 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.313 -1.850 -4.749 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.915 -2.534 -5.045 1.00 0.00 H new ATOM 360 N LEU A 26 7.998 -2.098 2.555 1.00 0.00 N ATOM 361 CA LEU A 26 7.979 -0.841 3.295 1.00 0.00 C ATOM 362 C LEU A 26 7.644 -1.078 4.764 1.00 0.00 C ATOM 363 O LEU A 26 7.016 -2.077 5.115 1.00 0.00 O ATOM 364 CB LEU A 26 6.962 0.121 2.677 1.00 0.00 C ATOM 365 CG LEU A 26 7.030 1.570 3.160 1.00 0.00 C ATOM 366 CD1 LEU A 26 8.211 2.289 2.525 1.00 0.00 C ATOM 367 CD2 LEU A 26 5.730 2.298 2.848 1.00 0.00 C ATOM 0 H LEU A 26 7.076 -2.493 2.370 1.00 0.00 H new ATOM 0 HA LEU A 26 8.973 -0.398 3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.095 0.113 1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.961 -0.261 2.878 1.00 0.00 H new ATOM 0 HG LEU A 26 7.171 1.566 4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.244 3.319 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.136 1.781 2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.101 2.283 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.796 3.328 3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.559 2.292 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.903 1.796 3.350 1.00 0.00 H new ATOM 379 N SER A 27 8.067 -0.152 5.619 1.00 0.00 N ATOM 380 CA SER A 27 7.814 -0.261 7.050 1.00 0.00 C ATOM 381 C SER A 27 7.267 1.051 7.607 1.00 0.00 C ATOM 382 O SER A 27 7.241 2.069 6.915 1.00 0.00 O ATOM 383 CB SER A 27 9.097 -0.645 7.789 1.00 0.00 C ATOM 384 OG SER A 27 9.662 -1.827 7.249 1.00 0.00 O ATOM 0 H SER A 27 8.586 0.682 5.345 1.00 0.00 H new ATOM 0 HA SER A 27 7.068 -1.041 7.203 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.817 0.170 7.721 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.881 -0.792 8.847 1.00 0.00 H new ATOM 0 HG SER A 27 10.482 -2.050 7.737 1.00 0.00 H new ATOM 390 N ARG A 28 6.829 1.017 8.861 1.00 0.00 N ATOM 391 CA ARG A 28 6.281 2.201 9.511 1.00 0.00 C ATOM 392 C ARG A 28 7.352 3.275 9.677 1.00 0.00 C ATOM 393 O ARG A 28 7.066 4.469 9.600 1.00 0.00 O ATOM 394 CB ARG A 28 5.695 1.835 10.876 1.00 0.00 C ATOM 395 CG ARG A 28 6.743 1.426 11.899 1.00 0.00 C ATOM 396 CD ARG A 28 6.119 1.165 13.261 1.00 0.00 C ATOM 397 NE ARG A 28 6.874 0.178 14.028 1.00 0.00 N ATOM 398 CZ ARG A 28 6.438 -0.362 15.161 1.00 0.00 C ATOM 399 NH1 ARG A 28 5.259 -0.012 15.656 1.00 0.00 N ATOM 400 NH2 ARG A 28 7.183 -1.254 15.802 1.00 0.00 N ATOM 0 H ARG A 28 6.843 0.182 9.447 1.00 0.00 H new ATOM 0 HA ARG A 28 5.488 2.598 8.877 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.136 2.687 11.262 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.984 1.018 10.750 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.258 0.529 11.555 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.494 2.211 11.986 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.068 2.098 13.822 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.095 0.816 13.130 1.00 0.00 H new ATOM 0 HE ARG A 28 7.786 -0.113 13.675 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.684 0.674 15.167 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.927 -0.428 16.526 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.091 -1.525 15.425 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.848 -1.668 16.672 1.00 0.00 H new ATOM 414 N GLY A 29 8.588 2.841 9.906 1.00 0.00 N ATOM 415 CA GLY A 29 9.683 3.777 10.080 1.00 0.00 C ATOM 416 C GLY A 29 9.866 4.685 8.880 1.00 0.00 C ATOM 417 O GLY A 29 10.556 5.701 8.962 1.00 0.00 O ATOM 0 H GLY A 29 8.850 1.858 9.974 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.500 4.384 10.967 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.605 3.224 10.257 1.00 0.00 H new ATOM 421 N GLU A 30 9.248 4.317 7.762 1.00 0.00 N ATOM 422 CA GLU A 30 9.349 5.105 6.539 1.00 0.00 C ATOM 423 C GLU A 30 7.969 5.543 6.058 1.00 0.00 C ATOM 424 O GLU A 30 7.814 6.617 5.478 1.00 0.00 O ATOM 425 CB GLU A 30 10.051 4.300 5.443 1.00 0.00 C ATOM 426 CG GLU A 30 11.502 3.977 5.759 1.00 0.00 C ATOM 427 CD GLU A 30 12.453 5.072 5.315 1.00 0.00 C ATOM 428 OE1 GLU A 30 12.338 5.524 4.157 1.00 0.00 O ATOM 429 OE2 GLU A 30 13.312 5.476 6.126 1.00 0.00 O ATOM 0 H GLU A 30 8.673 3.479 7.678 1.00 0.00 H new ATOM 0 HA GLU A 30 9.938 5.996 6.759 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.507 3.369 5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.007 4.860 4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.610 3.820 6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.777 3.042 5.271 1.00 0.00 H new ATOM 436 N ALA A 31 6.969 4.703 6.305 1.00 0.00 N ATOM 437 CA ALA A 31 5.602 5.003 5.899 1.00 0.00 C ATOM 438 C ALA A 31 5.092 6.269 6.580 1.00 0.00 C ATOM 439 O ALA A 31 4.960 7.315 5.946 1.00 0.00 O ATOM 440 CB ALA A 31 4.688 3.828 6.213 1.00 0.00 C ATOM 0 H ALA A 31 7.080 3.810 6.784 1.00 0.00 H new ATOM 0 HA ALA A 31 5.599 5.174 4.823 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.670 4.066 5.904 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.033 2.945 5.675 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.705 3.630 7.285 1.00 0.00 H new ATOM 446 N GLU A 32 4.808 6.165 7.875 1.00 0.00 N ATOM 447 CA GLU A 32 4.311 7.302 8.641 1.00 0.00 C ATOM 448 C GLU A 32 5.066 8.576 8.274 1.00 0.00 C ATOM 449 O GLU A 32 4.472 9.646 8.141 1.00 0.00 O ATOM 450 CB GLU A 32 4.443 7.031 10.141 1.00 0.00 C ATOM 451 CG GLU A 32 3.433 6.027 10.669 1.00 0.00 C ATOM 452 CD GLU A 32 3.573 5.788 12.160 1.00 0.00 C ATOM 453 OE1 GLU A 32 3.883 6.752 12.889 1.00 0.00 O ATOM 454 OE2 GLU A 32 3.371 4.635 12.597 1.00 0.00 O ATOM 0 H GLU A 32 4.914 5.306 8.415 1.00 0.00 H new ATOM 0 HA GLU A 32 3.258 7.441 8.396 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.449 6.665 10.348 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.327 7.970 10.683 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.426 6.384 10.455 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.555 5.082 10.140 1.00 0.00 H new ATOM 461 N ASP A 33 6.379 8.453 8.113 1.00 0.00 N ATOM 462 CA ASP A 33 7.217 9.594 7.762 1.00 0.00 C ATOM 463 C ASP A 33 6.804 10.176 6.414 1.00 0.00 C ATOM 464 O ASP A 33 6.517 11.368 6.303 1.00 0.00 O ATOM 465 CB ASP A 33 8.689 9.180 7.724 1.00 0.00 C ATOM 466 CG ASP A 33 9.626 10.353 7.935 1.00 0.00 C ATOM 467 OD1 ASP A 33 9.250 11.286 8.675 1.00 0.00 O ATOM 468 OD2 ASP A 33 10.734 10.339 7.360 1.00 0.00 O ATOM 0 H ASP A 33 6.886 7.575 8.220 1.00 0.00 H new ATOM 0 HA ASP A 33 7.083 10.361 8.525 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.872 8.429 8.493 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.907 8.713 6.764 1.00 0.00 H new ATOM 473 N MET A 34 6.778 9.328 5.391 1.00 0.00 N ATOM 474 CA MET A 34 6.401 9.759 4.050 1.00 0.00 C ATOM 475 C MET A 34 5.289 10.801 4.107 1.00 0.00 C ATOM 476 O MET A 34 5.465 11.937 3.665 1.00 0.00 O ATOM 477 CB MET A 34 5.950 8.560 3.214 1.00 0.00 C ATOM 478 CG MET A 34 7.083 7.887 2.456 1.00 0.00 C ATOM 479 SD MET A 34 6.532 7.126 0.916 1.00 0.00 S ATOM 480 CE MET A 34 5.563 5.756 1.543 1.00 0.00 C ATOM 0 H MET A 34 7.014 8.338 5.465 1.00 0.00 H new ATOM 0 HA MET A 34 7.275 10.211 3.581 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.477 7.828 3.869 1.00 0.00 H new ATOM 0 HB3 MET A 34 5.192 8.888 2.502 1.00 0.00 H new ATOM 0 HG2 MET A 34 7.856 8.623 2.237 1.00 0.00 H new ATOM 0 HG3 MET A 34 7.538 7.126 3.090 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.674 5.627 0.926 1.00 0.00 H new ATOM 0 HE2 MET A 34 6.160 4.845 1.514 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.264 5.962 2.571 1.00 0.00 H new ATOM 490 N LEU A 35 4.143 10.408 4.653 1.00 0.00 N ATOM 491 CA LEU A 35 3.001 11.308 4.768 1.00 0.00 C ATOM 492 C LEU A 35 3.435 12.673 5.295 1.00 0.00 C ATOM 493 O LEU A 35 3.041 13.709 4.760 1.00 0.00 O ATOM 494 CB LEU A 35 1.942 10.705 5.692 1.00 0.00 C ATOM 495 CG LEU A 35 1.003 9.679 5.056 1.00 0.00 C ATOM 496 CD1 LEU A 35 0.427 10.216 3.755 1.00 0.00 C ATOM 497 CD2 LEU A 35 1.732 8.365 4.817 1.00 0.00 C ATOM 0 H LEU A 35 3.980 9.472 5.023 1.00 0.00 H new ATOM 0 HA LEU A 35 2.573 11.441 3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.449 10.232 6.533 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.339 11.517 6.099 1.00 0.00 H new ATOM 0 HG LEU A 35 0.179 9.494 5.745 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.239 9.472 3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.132 11.130 3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.238 10.431 3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.048 7.647 4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.576 8.534 4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.094 7.972 5.767 1.00 0.00 H new ATOM 509 N MET A 36 4.249 12.664 6.345 1.00 0.00 N ATOM 510 CA MET A 36 4.739 13.902 6.941 1.00 0.00 C ATOM 511 C MET A 36 5.457 14.759 5.904 1.00 0.00 C ATOM 512 O MET A 36 5.374 15.987 5.935 1.00 0.00 O ATOM 513 CB MET A 36 5.682 13.593 8.106 1.00 0.00 C ATOM 514 CG MET A 36 5.074 12.674 9.153 1.00 0.00 C ATOM 515 SD MET A 36 5.885 12.817 10.757 1.00 0.00 S ATOM 516 CE MET A 36 4.497 12.572 11.862 1.00 0.00 C ATOM 0 H MET A 36 4.583 11.815 6.801 1.00 0.00 H new ATOM 0 HA MET A 36 3.881 14.460 7.315 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.590 13.134 7.715 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.976 14.528 8.582 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.015 12.906 9.264 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.140 11.642 8.808 1.00 0.00 H new ATOM 0 HE1 MET A 36 4.839 12.632 12.895 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.748 13.343 11.682 1.00 0.00 H new ATOM 0 HE3 MET A 36 4.058 11.591 11.682 1.00 0.00 H new ATOM 526 N ARG A 37 6.161 14.104 4.987 1.00 0.00 N ATOM 527 CA ARG A 37 6.894 14.806 3.941 1.00 0.00 C ATOM 528 C ARG A 37 5.938 15.406 2.915 1.00 0.00 C ATOM 529 O ARG A 37 6.103 16.551 2.492 1.00 0.00 O ATOM 530 CB ARG A 37 7.872 13.856 3.247 1.00 0.00 C ATOM 531 CG ARG A 37 9.226 13.768 3.932 1.00 0.00 C ATOM 532 CD ARG A 37 9.182 12.840 5.137 1.00 0.00 C ATOM 533 NE ARG A 37 10.214 13.166 6.116 1.00 0.00 N ATOM 534 CZ ARG A 37 11.497 12.856 5.962 1.00 0.00 C ATOM 535 NH1 ARG A 37 11.902 12.217 4.874 1.00 0.00 N ATOM 536 NH2 ARG A 37 12.378 13.187 6.899 1.00 0.00 N ATOM 0 H ARG A 37 6.239 13.088 4.947 1.00 0.00 H new ATOM 0 HA ARG A 37 7.454 15.616 4.408 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.430 12.860 3.205 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.016 14.185 2.218 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.971 13.409 3.222 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.540 14.763 4.249 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.201 12.905 5.609 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.309 11.809 4.806 1.00 0.00 H new ATOM 0 HE ARG A 37 9.935 13.659 6.965 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.228 11.962 4.152 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.887 11.980 4.759 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.070 13.679 7.737 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.363 12.949 6.780 1.00 0.00 H new ATOM 550 N ILE A 38 4.938 14.626 2.519 1.00 0.00 N ATOM 551 CA ILE A 38 3.955 15.081 1.543 1.00 0.00 C ATOM 552 C ILE A 38 3.212 16.314 2.046 1.00 0.00 C ATOM 553 O ILE A 38 2.420 16.252 2.986 1.00 0.00 O ATOM 554 CB ILE A 38 2.932 13.976 1.218 1.00 0.00 C ATOM 555 CG1 ILE A 38 3.624 12.613 1.154 1.00 0.00 C ATOM 556 CG2 ILE A 38 2.225 14.279 -0.095 1.00 0.00 C ATOM 557 CD1 ILE A 38 4.918 12.628 0.370 1.00 0.00 C ATOM 0 H ILE A 38 4.787 13.676 2.859 1.00 0.00 H new ATOM 0 HA ILE A 38 4.504 15.335 0.636 1.00 0.00 H new ATOM 0 HB ILE A 38 2.186 13.947 2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.827 12.270 2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.944 11.890 0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.505 13.489 -0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.704 15.233 -0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.959 14.332 -0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.353 11.629 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.719 12.940 -0.655 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.616 13.326 0.833 1.00 0.00 H new ATOM 569 N PRO A 39 3.470 17.463 1.404 1.00 0.00 N ATOM 570 CA PRO A 39 2.834 18.733 1.767 1.00 0.00 C ATOM 571 C PRO A 39 1.350 18.758 1.418 1.00 0.00 C ATOM 572 O PRO A 39 0.669 19.760 1.636 1.00 0.00 O ATOM 573 CB PRO A 39 3.598 19.764 0.931 1.00 0.00 C ATOM 574 CG PRO A 39 4.116 18.996 -0.236 1.00 0.00 C ATOM 575 CD PRO A 39 4.403 17.611 0.274 1.00 0.00 C ATOM 0 HA PRO A 39 2.877 18.919 2.840 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.946 20.577 0.612 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.411 20.213 1.502 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.383 18.971 -1.043 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.017 19.458 -0.638 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.228 16.856 -0.493 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.440 17.507 0.593 1.00 0.00 H new ATOM 583 N ARG A 40 0.855 17.651 0.876 1.00 0.00 N ATOM 584 CA ARG A 40 -0.549 17.547 0.496 1.00 0.00 C ATOM 585 C ARG A 40 -1.338 16.762 1.541 1.00 0.00 C ATOM 586 O ARG A 40 -1.072 15.584 1.778 1.00 0.00 O ATOM 587 CB ARG A 40 -0.681 16.873 -0.870 1.00 0.00 C ATOM 588 CG ARG A 40 0.277 17.421 -1.915 1.00 0.00 C ATOM 589 CD ARG A 40 -0.337 18.584 -2.679 1.00 0.00 C ATOM 590 NE ARG A 40 0.678 19.507 -3.180 1.00 0.00 N ATOM 591 CZ ARG A 40 1.306 20.393 -2.415 1.00 0.00 C ATOM 592 NH1 ARG A 40 1.026 20.475 -1.122 1.00 0.00 N ATOM 593 NH2 ARG A 40 2.218 21.199 -2.944 1.00 0.00 N ATOM 0 H ARG A 40 1.405 16.813 0.690 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.959 18.555 0.437 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.507 15.803 -0.756 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.703 16.994 -1.228 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.197 17.748 -1.431 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.548 16.629 -2.613 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.922 18.200 -3.515 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.026 19.122 -2.028 1.00 0.00 H new ATOM 0 HE ARG A 40 0.918 19.469 -4.171 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.326 19.857 -0.711 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.510 21.156 -0.538 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.437 21.138 -3.938 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.700 21.879 -2.356 1.00 0.00 H new ATOM 607 N ASP A 41 -2.307 17.424 2.162 1.00 0.00 N ATOM 608 CA ASP A 41 -3.136 16.789 3.181 1.00 0.00 C ATOM 609 C ASP A 41 -4.153 15.847 2.545 1.00 0.00 C ATOM 610 O ASP A 41 -4.964 16.260 1.717 1.00 0.00 O ATOM 611 CB ASP A 41 -3.856 17.849 4.016 1.00 0.00 C ATOM 612 CG ASP A 41 -4.767 17.240 5.063 1.00 0.00 C ATOM 613 OD1 ASP A 41 -4.264 16.872 6.145 1.00 0.00 O ATOM 614 OD2 ASP A 41 -5.984 17.130 4.800 1.00 0.00 O ATOM 0 H ASP A 41 -2.539 18.400 1.978 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.485 16.205 3.832 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.118 18.484 4.506 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.442 18.490 3.357 1.00 0.00 H new ATOM 619 N GLY A 42 -4.102 14.577 2.936 1.00 0.00 N ATOM 620 CA GLY A 42 -5.023 13.596 2.393 1.00 0.00 C ATOM 621 C GLY A 42 -4.308 12.433 1.734 1.00 0.00 C ATOM 622 O GLY A 42 -4.926 11.417 1.414 1.00 0.00 O ATOM 0 H GLY A 42 -3.439 14.210 3.619 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.662 13.220 3.192 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.675 14.078 1.664 1.00 0.00 H new ATOM 626 N ALA A 43 -3.004 12.581 1.529 1.00 0.00 N ATOM 627 CA ALA A 43 -2.205 11.534 0.904 1.00 0.00 C ATOM 628 C ALA A 43 -2.506 10.172 1.520 1.00 0.00 C ATOM 629 O ALA A 43 -3.141 10.082 2.571 1.00 0.00 O ATOM 630 CB ALA A 43 -0.723 11.856 1.029 1.00 0.00 C ATOM 0 H ALA A 43 -2.478 13.416 1.787 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.469 11.492 -0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.138 11.066 0.558 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.514 12.805 0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.454 11.928 2.083 1.00 0.00 H new ATOM 636 N PHE A 44 -2.048 9.115 0.858 1.00 0.00 N ATOM 637 CA PHE A 44 -2.271 7.756 1.340 1.00 0.00 C ATOM 638 C PHE A 44 -1.265 6.789 0.723 1.00 0.00 C ATOM 639 O PHE A 44 -0.499 7.157 -0.169 1.00 0.00 O ATOM 640 CB PHE A 44 -3.696 7.304 1.015 1.00 0.00 C ATOM 641 CG PHE A 44 -3.853 6.772 -0.381 1.00 0.00 C ATOM 642 CD1 PHE A 44 -4.138 7.626 -1.434 1.00 0.00 C ATOM 643 CD2 PHE A 44 -3.715 5.418 -0.640 1.00 0.00 C ATOM 644 CE1 PHE A 44 -4.283 7.139 -2.719 1.00 0.00 C ATOM 645 CE2 PHE A 44 -3.858 4.925 -1.923 1.00 0.00 C ATOM 646 CZ PHE A 44 -4.142 5.787 -2.964 1.00 0.00 C ATOM 0 H PHE A 44 -1.520 9.173 -0.013 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.135 7.754 2.421 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.995 6.533 1.725 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.376 8.145 1.153 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.248 8.684 -1.248 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.493 4.740 0.171 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.506 7.815 -3.531 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.748 3.867 -2.111 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.254 5.405 -3.968 1.00 0.00 H new ATOM 656 N LEU A 45 -1.274 5.550 1.203 1.00 0.00 N ATOM 657 CA LEU A 45 -0.363 4.528 0.700 1.00 0.00 C ATOM 658 C LEU A 45 -0.788 3.141 1.169 1.00 0.00 C ATOM 659 O LEU A 45 -1.134 2.948 2.335 1.00 0.00 O ATOM 660 CB LEU A 45 1.067 4.819 1.161 1.00 0.00 C ATOM 661 CG LEU A 45 1.463 4.245 2.521 1.00 0.00 C ATOM 662 CD1 LEU A 45 1.929 2.804 2.376 1.00 0.00 C ATOM 663 CD2 LEU A 45 2.549 5.096 3.163 1.00 0.00 C ATOM 0 H LEU A 45 -1.902 5.229 1.940 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.398 4.550 -0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.756 4.430 0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.205 5.900 1.191 1.00 0.00 H new ATOM 0 HG LEU A 45 0.587 4.259 3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.207 2.411 3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.123 2.201 1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.792 2.766 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.819 4.673 4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.427 5.113 2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.180 6.112 3.302 1.00 0.00 H new ATOM 675 N ILE A 46 -0.757 2.177 0.255 1.00 0.00 N ATOM 676 CA ILE A 46 -1.136 0.807 0.577 1.00 0.00 C ATOM 677 C ILE A 46 0.082 -0.111 0.592 1.00 0.00 C ATOM 678 O ILE A 46 0.856 -0.147 -0.364 1.00 0.00 O ATOM 679 CB ILE A 46 -2.167 0.257 -0.427 1.00 0.00 C ATOM 680 CG1 ILE A 46 -3.334 1.234 -0.579 1.00 0.00 C ATOM 681 CG2 ILE A 46 -2.666 -1.108 0.021 1.00 0.00 C ATOM 682 CD1 ILE A 46 -4.408 0.750 -1.529 1.00 0.00 C ATOM 0 H ILE A 46 -0.473 2.320 -0.714 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.584 0.829 1.570 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.684 0.144 -1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.779 1.411 0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.952 2.192 -0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.394 -1.483 -0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.826 -1.800 0.083 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.136 -1.020 1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.204 1.493 -1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.977 0.600 -2.519 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.818 -0.192 -1.165 1.00 0.00 H new ATOM 694 N ARG A 47 0.243 -0.853 1.683 1.00 0.00 N ATOM 695 CA ARG A 47 1.366 -1.772 1.822 1.00 0.00 C ATOM 696 C ARG A 47 0.894 -3.136 2.317 1.00 0.00 C ATOM 697 O ARG A 47 -0.266 -3.305 2.695 1.00 0.00 O ATOM 698 CB ARG A 47 2.405 -1.199 2.788 1.00 0.00 C ATOM 699 CG ARG A 47 1.862 -0.945 4.185 1.00 0.00 C ATOM 700 CD ARG A 47 2.846 -0.148 5.028 1.00 0.00 C ATOM 701 NE ARG A 47 2.180 0.574 6.109 1.00 0.00 N ATOM 702 CZ ARG A 47 2.803 0.994 7.205 1.00 0.00 C ATOM 703 NH1 ARG A 47 4.099 0.764 7.364 1.00 0.00 N ATOM 704 NH2 ARG A 47 2.129 1.645 8.144 1.00 0.00 N ATOM 0 H ARG A 47 -0.390 -0.836 2.483 1.00 0.00 H new ATOM 0 HA ARG A 47 1.823 -1.899 0.841 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.247 -1.889 2.854 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.790 -0.264 2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.918 -0.404 4.117 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.650 -1.896 4.673 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.593 -0.822 5.448 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.378 0.560 4.392 1.00 0.00 H new ATOM 0 HE ARG A 47 1.182 0.766 6.018 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.620 0.264 6.644 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.575 1.087 8.206 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.132 1.823 8.025 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.608 1.967 8.985 1.00 0.00 H new ATOM 718 N LYS A 48 1.800 -4.108 2.310 1.00 0.00 N ATOM 719 CA LYS A 48 1.478 -5.458 2.758 1.00 0.00 C ATOM 720 C LYS A 48 2.311 -5.840 3.978 1.00 0.00 C ATOM 721 O LYS A 48 3.493 -5.506 4.062 1.00 0.00 O ATOM 722 CB LYS A 48 1.717 -6.463 1.629 1.00 0.00 C ATOM 723 CG LYS A 48 1.320 -7.885 1.987 1.00 0.00 C ATOM 724 CD LYS A 48 2.473 -8.641 2.626 1.00 0.00 C ATOM 725 CE LYS A 48 3.352 -9.306 1.578 1.00 0.00 C ATOM 726 NZ LYS A 48 4.545 -9.958 2.187 1.00 0.00 N ATOM 0 H LYS A 48 2.764 -3.986 1.999 1.00 0.00 H new ATOM 0 HA LYS A 48 0.425 -5.479 3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.156 -6.149 0.749 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.772 -6.447 1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.472 -7.866 2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.993 -8.409 1.089 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.073 -7.955 3.223 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.081 -9.397 3.307 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.769 -10.050 1.034 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.677 -8.562 0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.118 -10.400 1.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.115 -9.244 2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.236 -10.686 2.862 1.00 0.00 H new ATOM 740 N ARG A 49 1.688 -6.542 4.918 1.00 0.00 N ATOM 741 CA ARG A 49 2.373 -6.969 6.132 1.00 0.00 C ATOM 742 C ARG A 49 2.647 -8.470 6.103 1.00 0.00 C ATOM 743 O ARG A 49 1.901 -9.234 5.492 1.00 0.00 O ATOM 744 CB ARG A 49 1.539 -6.616 7.365 1.00 0.00 C ATOM 745 CG ARG A 49 1.844 -5.241 7.935 1.00 0.00 C ATOM 746 CD ARG A 49 1.632 -4.149 6.898 1.00 0.00 C ATOM 747 NE ARG A 49 1.337 -2.858 7.514 1.00 0.00 N ATOM 748 CZ ARG A 49 2.215 -2.170 8.235 1.00 0.00 C ATOM 749 NH1 ARG A 49 3.438 -2.646 8.427 1.00 0.00 N ATOM 750 NH2 ARG A 49 1.872 -1.002 8.763 1.00 0.00 N ATOM 0 H ARG A 49 0.710 -6.827 4.863 1.00 0.00 H new ATOM 0 HA ARG A 49 3.327 -6.444 6.184 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.482 -6.665 7.104 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.712 -7.366 8.137 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.205 -5.054 8.798 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.874 -5.213 8.289 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.524 -4.059 6.279 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.812 -4.431 6.237 1.00 0.00 H new ATOM 0 HE ARG A 49 0.406 -2.463 7.383 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.706 -3.542 8.021 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.110 -2.116 8.981 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.933 -0.632 8.615 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.547 -0.475 9.317 1.00 0.00 H new ATOM 812 N SER A 54 -2.494 -9.254 6.530 1.00 0.00 N ATOM 813 CA SER A 54 -3.477 -8.181 6.445 1.00 0.00 C ATOM 814 C SER A 54 -2.810 -6.863 6.061 1.00 0.00 C ATOM 815 O SER A 54 -1.998 -6.324 6.813 1.00 0.00 O ATOM 816 CB SER A 54 -4.210 -8.025 7.779 1.00 0.00 C ATOM 817 OG SER A 54 -5.310 -8.914 7.862 1.00 0.00 O ATOM 0 HA SER A 54 -4.198 -8.443 5.671 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.521 -8.216 8.601 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.559 -6.998 7.888 1.00 0.00 H new ATOM 0 HG SER A 54 -5.761 -8.796 8.724 1.00 0.00 H new ATOM 823 N TYR A 55 -3.160 -6.351 4.887 1.00 0.00 N ATOM 824 CA TYR A 55 -2.595 -5.098 4.401 1.00 0.00 C ATOM 825 C TYR A 55 -3.033 -3.927 5.276 1.00 0.00 C ATOM 826 O TYR A 55 -4.036 -4.007 5.983 1.00 0.00 O ATOM 827 CB TYR A 55 -3.018 -4.851 2.952 1.00 0.00 C ATOM 828 CG TYR A 55 -2.827 -6.052 2.053 1.00 0.00 C ATOM 829 CD1 TYR A 55 -3.771 -7.070 2.011 1.00 0.00 C ATOM 830 CD2 TYR A 55 -1.702 -6.168 1.245 1.00 0.00 C ATOM 831 CE1 TYR A 55 -3.601 -8.170 1.192 1.00 0.00 C ATOM 832 CE2 TYR A 55 -1.524 -7.263 0.422 1.00 0.00 C ATOM 833 CZ TYR A 55 -2.476 -8.261 0.399 1.00 0.00 C ATOM 834 OH TYR A 55 -2.303 -9.354 -0.419 1.00 0.00 O ATOM 0 H TYR A 55 -3.832 -6.784 4.254 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.509 -5.177 4.447 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.067 -4.557 2.934 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.445 -4.014 2.553 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.654 -7.001 2.629 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.954 -5.389 1.261 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.344 -8.953 1.173 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.644 -7.337 -0.200 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.461 -9.264 -0.912 1.00 0.00 H new ATOM 844 N ALA A 56 -2.271 -2.839 5.221 1.00 0.00 N ATOM 845 CA ALA A 56 -2.580 -1.650 6.006 1.00 0.00 C ATOM 846 C ALA A 56 -2.385 -0.382 5.181 1.00 0.00 C ATOM 847 O ALA A 56 -1.298 -0.130 4.661 1.00 0.00 O ATOM 848 CB ALA A 56 -1.718 -1.605 7.258 1.00 0.00 C ATOM 0 H ALA A 56 -1.436 -2.757 4.641 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.628 -1.702 6.302 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.960 -0.712 7.834 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.910 -2.491 7.864 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.666 -1.580 6.975 1.00 0.00 H new ATOM 854 N ILE A 57 -3.445 0.411 5.066 1.00 0.00 N ATOM 855 CA ILE A 57 -3.389 1.653 4.304 1.00 0.00 C ATOM 856 C ILE A 57 -3.169 2.851 5.222 1.00 0.00 C ATOM 857 O ILE A 57 -3.944 3.087 6.150 1.00 0.00 O ATOM 858 CB ILE A 57 -4.677 1.873 3.490 1.00 0.00 C ATOM 859 CG1 ILE A 57 -4.549 3.124 2.619 1.00 0.00 C ATOM 860 CG2 ILE A 57 -5.877 1.988 4.419 1.00 0.00 C ATOM 861 CD1 ILE A 57 -5.819 3.477 1.878 1.00 0.00 C ATOM 0 H ILE A 57 -4.352 0.216 5.490 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.547 1.565 3.618 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.828 1.013 2.837 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.259 3.966 3.247 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.747 2.973 1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.780 2.143 3.829 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.976 1.071 5.000 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.735 2.832 5.094 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.655 4.374 1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.100 2.652 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.620 3.660 2.595 1.00 0.00 H new ATOM 873 N THR A 58 -2.109 3.607 4.956 1.00 0.00 N ATOM 874 CA THR A 58 -1.787 4.782 5.757 1.00 0.00 C ATOM 875 C THR A 58 -2.186 6.065 5.036 1.00 0.00 C ATOM 876 O THR A 58 -2.367 6.074 3.818 1.00 0.00 O ATOM 877 CB THR A 58 -0.285 4.840 6.091 1.00 0.00 C ATOM 878 OG1 THR A 58 0.231 3.515 6.263 1.00 0.00 O ATOM 879 CG2 THR A 58 -0.042 5.652 7.354 1.00 0.00 C ATOM 0 H THR A 58 -1.458 3.427 4.192 1.00 0.00 H new ATOM 0 HA THR A 58 -2.354 4.698 6.684 1.00 0.00 H new ATOM 0 HB THR A 58 0.230 5.325 5.262 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.187 3.561 6.474 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.026 5.679 7.570 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.408 6.668 7.209 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.569 5.192 8.190 1.00 0.00 H new ATOM 887 N PHE A 59 -2.321 7.147 5.796 1.00 0.00 N ATOM 888 CA PHE A 59 -2.699 8.436 5.229 1.00 0.00 C ATOM 889 C PHE A 59 -2.231 9.581 6.122 1.00 0.00 C ATOM 890 O PHE A 59 -1.639 9.357 7.178 1.00 0.00 O ATOM 891 CB PHE A 59 -4.216 8.509 5.040 1.00 0.00 C ATOM 892 CG PHE A 59 -4.985 7.705 6.049 1.00 0.00 C ATOM 893 CD1 PHE A 59 -5.068 6.327 5.938 1.00 0.00 C ATOM 894 CD2 PHE A 59 -5.625 8.328 7.108 1.00 0.00 C ATOM 895 CE1 PHE A 59 -5.776 5.585 6.865 1.00 0.00 C ATOM 896 CE2 PHE A 59 -6.334 7.592 8.038 1.00 0.00 C ATOM 897 CZ PHE A 59 -6.408 6.218 7.917 1.00 0.00 C ATOM 0 H PHE A 59 -2.174 7.157 6.805 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.214 8.534 4.258 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.532 9.550 5.100 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.467 8.157 4.039 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.574 5.827 5.118 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.569 9.402 7.208 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.835 4.511 6.766 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.829 8.090 8.858 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.959 5.640 8.644 1.00 0.00 H new ATOM 907 N ARG A 60 -2.500 10.809 5.689 1.00 0.00 N ATOM 908 CA ARG A 60 -2.105 11.990 6.448 1.00 0.00 C ATOM 909 C ARG A 60 -3.329 12.723 6.988 1.00 0.00 C ATOM 910 O ARG A 60 -4.270 13.009 6.249 1.00 0.00 O ATOM 911 CB ARG A 60 -1.278 12.932 5.572 1.00 0.00 C ATOM 912 CG ARG A 60 -0.921 14.242 6.254 1.00 0.00 C ATOM 913 CD ARG A 60 -0.076 15.128 5.352 1.00 0.00 C ATOM 914 NE ARG A 60 -0.011 16.503 5.841 1.00 0.00 N ATOM 915 CZ ARG A 60 0.791 16.896 6.824 1.00 0.00 C ATOM 916 NH1 ARG A 60 1.592 16.023 7.420 1.00 0.00 N ATOM 917 NH2 ARG A 60 0.794 18.165 7.213 1.00 0.00 N ATOM 0 H ARG A 60 -2.989 11.012 4.817 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.497 11.663 7.292 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.360 12.425 5.274 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.834 13.147 4.659 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.834 14.769 6.532 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.378 14.037 7.177 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.932 14.719 5.284 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.492 15.121 4.344 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.615 17.199 5.404 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.593 15.047 7.124 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.207 16.328 8.175 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.180 18.840 6.757 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.410 18.465 7.968 1.00 0.00 H new ATOM 931 N ALA A 61 -3.308 13.025 8.282 1.00 0.00 N ATOM 932 CA ALA A 61 -4.415 13.726 8.921 1.00 0.00 C ATOM 933 C ALA A 61 -3.962 15.070 9.482 1.00 0.00 C ATOM 934 O ALA A 61 -3.450 15.146 10.599 1.00 0.00 O ATOM 935 CB ALA A 61 -5.018 12.868 10.023 1.00 0.00 C ATOM 0 H ALA A 61 -2.536 12.795 8.908 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.178 13.915 8.165 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.843 13.404 10.491 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.387 11.935 9.597 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.257 12.649 10.772 1.00 0.00 H new ATOM 941 N ARG A 62 -4.154 16.127 8.701 1.00 0.00 N ATOM 942 CA ARG A 62 -3.764 17.468 9.120 1.00 0.00 C ATOM 943 C ARG A 62 -2.486 17.427 9.952 1.00 0.00 C ATOM 944 O ARG A 62 -2.424 17.995 11.041 1.00 0.00 O ATOM 945 CB ARG A 62 -4.889 18.122 9.925 1.00 0.00 C ATOM 946 CG ARG A 62 -4.893 19.640 9.843 1.00 0.00 C ATOM 947 CD ARG A 62 -5.625 20.129 8.603 1.00 0.00 C ATOM 948 NE ARG A 62 -5.587 21.584 8.484 1.00 0.00 N ATOM 949 CZ ARG A 62 -6.297 22.267 7.594 1.00 0.00 C ATOM 950 NH1 ARG A 62 -7.098 21.631 6.750 1.00 0.00 N ATOM 951 NH2 ARG A 62 -6.209 23.591 7.547 1.00 0.00 N ATOM 0 H ARG A 62 -4.577 16.081 7.774 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.576 18.061 8.225 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.847 17.745 9.567 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.798 17.823 10.969 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.368 20.052 10.733 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.867 20.007 9.830 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.176 19.681 7.717 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.662 19.795 8.639 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.982 22.104 9.119 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.170 20.614 6.783 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.642 22.159 6.067 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.595 24.085 8.195 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.755 24.114 6.863 1.00 0.00 H new ATOM 965 N GLY A 63 -1.467 16.749 9.431 1.00 0.00 N ATOM 966 CA GLY A 63 -0.205 16.646 10.139 1.00 0.00 C ATOM 967 C GLY A 63 0.051 15.248 10.666 1.00 0.00 C ATOM 968 O GLY A 63 1.098 14.657 10.397 1.00 0.00 O ATOM 0 H GLY A 63 -1.494 16.269 8.531 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.607 16.934 9.471 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.200 17.351 10.970 1.00 0.00 H new ATOM 972 N LYS A 64 -0.905 14.716 11.419 1.00 0.00 N ATOM 973 CA LYS A 64 -0.779 13.379 11.986 1.00 0.00 C ATOM 974 C LYS A 64 -0.841 12.317 10.893 1.00 0.00 C ATOM 975 O LYS A 64 -0.965 12.635 9.711 1.00 0.00 O ATOM 976 CB LYS A 64 -1.884 13.133 13.016 1.00 0.00 C ATOM 977 CG LYS A 64 -1.691 13.900 14.312 1.00 0.00 C ATOM 978 CD LYS A 64 -2.833 13.653 15.282 1.00 0.00 C ATOM 979 CE LYS A 64 -2.421 13.951 16.716 1.00 0.00 C ATOM 980 NZ LYS A 64 -2.183 15.404 16.934 1.00 0.00 N ATOM 0 H LYS A 64 -1.777 15.191 11.651 1.00 0.00 H new ATOM 0 HA LYS A 64 0.190 13.310 12.480 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.844 13.410 12.580 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.931 12.067 13.238 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.749 13.604 14.774 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.619 14.966 14.097 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.684 14.277 15.010 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.160 12.616 15.204 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.198 13.604 17.397 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.515 13.395 16.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.904 15.566 17.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.424 15.730 16.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.055 15.933 16.729 1.00 0.00 H new ATOM 994 N VAL A 65 -0.757 11.053 11.297 1.00 0.00 N ATOM 995 CA VAL A 65 -0.806 9.944 10.352 1.00 0.00 C ATOM 996 C VAL A 65 -1.436 8.709 10.987 1.00 0.00 C ATOM 997 O VAL A 65 -0.830 8.056 11.837 1.00 0.00 O ATOM 998 CB VAL A 65 0.599 9.582 9.837 1.00 0.00 C ATOM 999 CG1 VAL A 65 0.532 8.391 8.893 1.00 0.00 C ATOM 1000 CG2 VAL A 65 1.240 10.780 9.152 1.00 0.00 C ATOM 0 H VAL A 65 -0.655 10.772 12.272 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.419 10.271 9.512 1.00 0.00 H new ATOM 0 HB VAL A 65 1.219 9.305 10.690 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.535 8.150 8.539 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.117 7.532 9.420 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.104 8.636 8.042 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.233 10.506 8.794 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.623 11.090 8.309 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.324 11.603 9.862 1.00 0.00 H new ATOM 1010 N LYS A 66 -2.657 8.393 10.568 1.00 0.00 N ATOM 1011 CA LYS A 66 -3.370 7.235 11.094 1.00 0.00 C ATOM 1012 C LYS A 66 -3.212 6.033 10.168 1.00 0.00 C ATOM 1013 O LYS A 66 -2.593 6.130 9.108 1.00 0.00 O ATOM 1014 CB LYS A 66 -4.855 7.562 11.272 1.00 0.00 C ATOM 1015 CG LYS A 66 -5.113 8.710 12.233 1.00 0.00 C ATOM 1016 CD LYS A 66 -5.239 8.220 13.666 1.00 0.00 C ATOM 1017 CE LYS A 66 -5.478 9.371 14.630 1.00 0.00 C ATOM 1018 NZ LYS A 66 -5.820 8.889 15.997 1.00 0.00 N ATOM 0 H LYS A 66 -3.173 8.923 9.866 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.940 6.985 12.064 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.283 7.809 10.301 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.374 6.674 11.632 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.300 9.433 12.165 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.026 9.230 11.944 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.061 7.508 13.737 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.331 7.688 13.951 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.586 9.995 14.678 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.286 9.998 14.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.975 9.704 16.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.686 8.314 15.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.038 8.312 16.367 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.776 4.900 10.576 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.699 3.679 9.782 1.00 0.00 C ATOM 1034 C HIS A 67 -5.043 2.958 9.761 1.00 0.00 C ATOM 1035 O HIS A 67 -5.917 3.231 10.584 1.00 0.00 O ATOM 1036 CB HIS A 67 -2.618 2.751 10.338 1.00 0.00 C ATOM 1037 CG HIS A 67 -1.317 3.441 10.608 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -0.320 3.564 9.664 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -0.852 4.049 11.725 1.00 0.00 C ATOM 1040 CE1 HIS A 67 0.702 4.216 10.188 1.00 0.00 C ATOM 1041 NE2 HIS A 67 0.404 4.522 11.438 1.00 0.00 N ATOM 0 H HIS A 67 -4.291 4.802 11.451 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.440 3.956 8.760 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.979 2.299 11.262 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.449 1.939 9.631 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -0.365 3.207 8.710 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.373 4.144 12.666 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.624 4.458 9.681 1.00 0.00 H new ATOM 1050 N CYS A 68 -5.202 2.040 8.814 1.00 0.00 N ATOM 1051 CA CYS A 68 -6.441 1.281 8.685 1.00 0.00 C ATOM 1052 C CYS A 68 -6.158 -0.155 8.257 1.00 0.00 C ATOM 1053 O CYS A 68 -5.600 -0.395 7.186 1.00 0.00 O ATOM 1054 CB CYS A 68 -7.372 1.953 7.675 1.00 0.00 C ATOM 1055 SG CYS A 68 -9.130 1.668 7.987 1.00 0.00 S ATOM 0 H CYS A 68 -4.489 1.803 8.124 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.928 1.260 9.660 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.182 3.026 7.681 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.128 1.592 6.676 1.00 0.00 H new ATOM 0 HG CYS A 68 -9.838 2.442 7.219 1.00 0.00 H new ATOM 1061 N ARG A 69 -6.544 -1.106 9.102 1.00 0.00 N ATOM 1062 CA ARG A 69 -6.328 -2.518 8.813 1.00 0.00 C ATOM 1063 C ARG A 69 -7.154 -2.958 7.608 1.00 0.00 C ATOM 1064 O ARG A 69 -8.289 -2.517 7.426 1.00 0.00 O ATOM 1065 CB ARG A 69 -6.689 -3.371 10.031 1.00 0.00 C ATOM 1066 CG ARG A 69 -6.001 -4.726 10.051 1.00 0.00 C ATOM 1067 CD ARG A 69 -4.606 -4.634 10.649 1.00 0.00 C ATOM 1068 NE ARG A 69 -4.635 -4.646 12.110 1.00 0.00 N ATOM 1069 CZ ARG A 69 -4.766 -5.753 12.833 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -4.877 -6.931 12.234 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -4.784 -5.683 14.158 1.00 0.00 N ATOM 0 H ARG A 69 -7.008 -0.924 9.992 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.273 -2.658 8.580 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.425 -2.826 10.937 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.768 -3.521 10.052 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.600 -5.431 10.628 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.938 -5.118 9.036 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.003 -5.468 10.291 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.123 -3.720 10.303 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.550 -3.756 12.601 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.862 -6.989 11.216 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.977 -7.779 12.792 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.697 -4.779 14.622 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.885 -6.533 14.712 1.00 0.00 H new ATOM 1085 N ILE A 70 -6.576 -3.830 6.788 1.00 0.00 N ATOM 1086 CA ILE A 70 -7.259 -4.330 5.601 1.00 0.00 C ATOM 1087 C ILE A 70 -7.269 -5.854 5.573 1.00 0.00 C ATOM 1088 O ILE A 70 -6.303 -6.499 5.978 1.00 0.00 O ATOM 1089 CB ILE A 70 -6.600 -3.808 4.310 1.00 0.00 C ATOM 1090 CG1 ILE A 70 -6.570 -2.279 4.309 1.00 0.00 C ATOM 1091 CG2 ILE A 70 -7.341 -4.331 3.089 1.00 0.00 C ATOM 1092 CD1 ILE A 70 -5.680 -1.693 3.235 1.00 0.00 C ATOM 0 H ILE A 70 -5.637 -4.205 6.924 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.284 -3.963 5.650 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.573 -4.172 4.270 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.584 -1.904 4.174 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.228 -1.930 5.283 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.864 -3.954 2.185 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.314 -5.421 3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.377 -3.994 3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.707 -0.605 3.294 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.657 -2.039 3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.034 -2.013 2.255 1.00 0.00 H new ATOM 1104 N ASN A 71 -8.369 -6.425 5.091 1.00 0.00 N ATOM 1105 CA ASN A 71 -8.504 -7.875 5.009 1.00 0.00 C ATOM 1106 C ASN A 71 -9.123 -8.289 3.677 1.00 0.00 C ATOM 1107 O ASN A 71 -9.409 -7.447 2.826 1.00 0.00 O ATOM 1108 CB ASN A 71 -9.361 -8.393 6.165 1.00 0.00 C ATOM 1109 CG ASN A 71 -9.009 -9.817 6.553 1.00 0.00 C ATOM 1110 OD1 ASN A 71 -9.676 -10.767 6.142 1.00 0.00 O ATOM 1111 ND2 ASN A 71 -7.957 -9.970 7.348 1.00 0.00 N ATOM 0 H ASN A 71 -9.179 -5.906 4.752 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.508 -8.313 5.078 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.232 -7.741 7.029 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.413 -8.345 5.884 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.672 -10.904 7.643 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.434 -9.154 7.664 1.00 0.00 H new ATOM 1118 N ARG A 72 -9.325 -9.591 3.505 1.00 0.00 N ATOM 1119 CA ARG A 72 -9.909 -10.117 2.277 1.00 0.00 C ATOM 1120 C ARG A 72 -10.874 -11.259 2.580 1.00 0.00 C ATOM 1121 O ARG A 72 -10.733 -11.954 3.586 1.00 0.00 O ATOM 1122 CB ARG A 72 -8.809 -10.602 1.331 1.00 0.00 C ATOM 1123 CG ARG A 72 -7.659 -11.299 2.040 1.00 0.00 C ATOM 1124 CD ARG A 72 -6.339 -11.063 1.325 1.00 0.00 C ATOM 1125 NE ARG A 72 -5.193 -11.420 2.158 1.00 0.00 N ATOM 1126 CZ ARG A 72 -4.813 -12.672 2.388 1.00 0.00 C ATOM 1127 NH1 ARG A 72 -5.484 -13.681 1.850 1.00 0.00 N ATOM 1128 NH2 ARG A 72 -3.760 -12.916 3.158 1.00 0.00 N ATOM 0 H ARG A 72 -9.093 -10.301 4.200 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.465 -9.313 1.795 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.244 -11.286 0.603 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.419 -9.750 0.774 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.589 -10.936 3.065 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.859 -12.369 2.094 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.315 -11.648 0.406 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.265 -10.014 1.037 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.655 -10.667 2.586 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.294 -13.497 1.258 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.190 -14.641 2.028 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.242 -12.142 3.574 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.469 -13.878 3.334 1.00 0.00 H new ATOM 1142 N ASP A 73 -11.855 -11.446 1.703 1.00 0.00 N ATOM 1143 CA ASP A 73 -12.843 -12.504 1.876 1.00 0.00 C ATOM 1144 C ASP A 73 -13.397 -12.956 0.528 1.00 0.00 C ATOM 1145 O ASP A 73 -14.197 -12.257 -0.092 1.00 0.00 O ATOM 1146 CB ASP A 73 -13.984 -12.024 2.774 1.00 0.00 C ATOM 1147 CG ASP A 73 -13.626 -12.085 4.246 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -12.818 -12.958 4.624 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -14.156 -11.260 5.021 1.00 0.00 O ATOM 0 H ASP A 73 -11.987 -10.879 0.866 1.00 0.00 H new ATOM 0 HA ASP A 73 -12.350 -13.353 2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.245 -11.000 2.509 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.868 -12.636 2.592 1.00 0.00 H new ATOM 1154 N GLY A 74 -12.964 -14.131 0.080 1.00 0.00 N ATOM 1155 CA GLY A 74 -13.426 -14.656 -1.192 1.00 0.00 C ATOM 1156 C GLY A 74 -12.865 -13.888 -2.373 1.00 0.00 C ATOM 1157 O GLY A 74 -13.572 -13.098 -3.000 1.00 0.00 O ATOM 0 H GLY A 74 -12.302 -14.728 0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.139 -15.704 -1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -14.515 -14.620 -1.223 1.00 0.00 H new ATOM 1161 N ARG A 75 -11.592 -14.120 -2.677 1.00 0.00 N ATOM 1162 CA ARG A 75 -10.937 -13.442 -3.789 1.00 0.00 C ATOM 1163 C ARG A 75 -11.341 -11.971 -3.843 1.00 0.00 C ATOM 1164 O ARG A 75 -11.344 -11.357 -4.911 1.00 0.00 O ATOM 1165 CB ARG A 75 -11.289 -14.128 -5.110 1.00 0.00 C ATOM 1166 CG ARG A 75 -12.782 -14.323 -5.317 1.00 0.00 C ATOM 1167 CD ARG A 75 -13.089 -14.823 -6.720 1.00 0.00 C ATOM 1168 NE ARG A 75 -12.971 -16.275 -6.821 1.00 0.00 N ATOM 1169 CZ ARG A 75 -13.180 -16.953 -7.944 1.00 0.00 C ATOM 1170 NH1 ARG A 75 -13.516 -16.313 -9.056 1.00 0.00 N ATOM 1171 NH2 ARG A 75 -13.054 -18.274 -7.957 1.00 0.00 N ATOM 0 H ARG A 75 -10.994 -14.772 -2.169 1.00 0.00 H new ATOM 0 HA ARG A 75 -9.860 -13.499 -3.634 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.891 -13.536 -5.934 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.796 -15.099 -5.148 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.162 -15.035 -4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.301 -13.380 -5.144 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.098 -14.521 -7.000 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.407 -14.354 -7.429 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.714 -16.797 -5.983 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.614 -15.298 -9.050 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.676 -16.836 -9.917 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.796 -18.770 -7.104 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.215 -18.793 -8.820 1.00 0.00 H new ATOM 1185 N HIS A 76 -11.681 -11.413 -2.686 1.00 0.00 N ATOM 1186 CA HIS A 76 -12.087 -10.014 -2.602 1.00 0.00 C ATOM 1187 C HIS A 76 -11.330 -9.296 -1.489 1.00 0.00 C ATOM 1188 O HIS A 76 -10.630 -9.923 -0.695 1.00 0.00 O ATOM 1189 CB HIS A 76 -13.593 -9.912 -2.359 1.00 0.00 C ATOM 1190 CG HIS A 76 -14.417 -10.550 -3.435 1.00 0.00 C ATOM 1191 ND1 HIS A 76 -15.640 -11.141 -3.195 1.00 0.00 N ATOM 1192 CD2 HIS A 76 -14.189 -10.686 -4.762 1.00 0.00 C ATOM 1193 CE1 HIS A 76 -16.127 -11.614 -4.328 1.00 0.00 C ATOM 1194 NE2 HIS A 76 -15.267 -11.351 -5.294 1.00 0.00 N ATOM 0 H HIS A 76 -11.684 -11.907 -1.794 1.00 0.00 H new ATOM 0 HA HIS A 76 -11.847 -9.533 -3.550 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -13.831 -10.380 -1.404 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -13.869 -8.861 -2.276 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -13.321 -10.337 -5.302 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.069 -12.129 -4.444 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.384 -11.601 -6.276 1.00 0.00 H new ATOM 1203 N PHE A 77 -11.476 -7.976 -1.438 1.00 0.00 N ATOM 1204 CA PHE A 77 -10.805 -7.171 -0.423 1.00 0.00 C ATOM 1205 C PHE A 77 -11.821 -6.448 0.457 1.00 0.00 C ATOM 1206 O PHE A 77 -12.653 -5.686 -0.034 1.00 0.00 O ATOM 1207 CB PHE A 77 -9.871 -6.155 -1.083 1.00 0.00 C ATOM 1208 CG PHE A 77 -8.582 -6.754 -1.570 1.00 0.00 C ATOM 1209 CD1 PHE A 77 -7.490 -6.861 -0.723 1.00 0.00 C ATOM 1210 CD2 PHE A 77 -8.462 -7.209 -2.873 1.00 0.00 C ATOM 1211 CE1 PHE A 77 -6.303 -7.411 -1.168 1.00 0.00 C ATOM 1212 CE2 PHE A 77 -7.277 -7.760 -3.323 1.00 0.00 C ATOM 1213 CZ PHE A 77 -6.197 -7.862 -2.470 1.00 0.00 C ATOM 0 H PHE A 77 -12.053 -7.441 -2.087 1.00 0.00 H new ATOM 0 HA PHE A 77 -10.217 -7.840 0.205 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.387 -5.691 -1.923 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.647 -5.362 -0.369 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -7.568 -6.511 0.296 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -9.304 -7.132 -3.545 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.459 -7.488 -0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -7.196 -8.110 -4.341 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.271 -8.294 -2.819 1.00 0.00 H new ATOM 1223 N VAL A 78 -11.746 -6.694 1.761 1.00 0.00 N ATOM 1224 CA VAL A 78 -12.658 -6.067 2.711 1.00 0.00 C ATOM 1225 C VAL A 78 -11.942 -5.006 3.540 1.00 0.00 C ATOM 1226 O VAL A 78 -10.890 -5.265 4.125 1.00 0.00 O ATOM 1227 CB VAL A 78 -13.284 -7.107 3.658 1.00 0.00 C ATOM 1228 CG1 VAL A 78 -14.248 -6.437 4.625 1.00 0.00 C ATOM 1229 CG2 VAL A 78 -13.987 -8.197 2.861 1.00 0.00 C ATOM 0 H VAL A 78 -11.063 -7.323 2.184 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.449 -5.596 2.128 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.487 -7.570 4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -14.681 -7.188 5.286 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.712 -5.696 5.218 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.043 -5.946 4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -14.424 -8.924 3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.775 -7.752 2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.266 -8.696 2.213 1.00 0.00 H new ATOM 1239 N LEU A 79 -12.521 -3.812 3.588 1.00 0.00 N ATOM 1240 CA LEU A 79 -11.940 -2.710 4.348 1.00 0.00 C ATOM 1241 C LEU A 79 -12.465 -2.699 5.780 1.00 0.00 C ATOM 1242 O LEU A 79 -11.715 -2.923 6.729 1.00 0.00 O ATOM 1243 CB LEU A 79 -12.251 -1.376 3.668 1.00 0.00 C ATOM 1244 CG LEU A 79 -11.291 -0.226 3.975 1.00 0.00 C ATOM 1245 CD1 LEU A 79 -11.263 0.062 5.468 1.00 0.00 C ATOM 1246 CD2 LEU A 79 -9.894 -0.547 3.465 1.00 0.00 C ATOM 0 H LEU A 79 -13.392 -3.582 3.110 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.860 -2.852 4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.263 -1.535 2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -13.257 -1.070 3.956 1.00 0.00 H new ATOM 0 HG LEU A 79 -11.647 0.667 3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.574 0.883 5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -12.263 0.337 5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -10.932 -0.827 6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.224 0.282 3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.529 -1.452 3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.927 -0.702 2.387 1.00 0.00 H new ATOM 1258 N GLY A 80 -13.760 -2.437 5.928 1.00 0.00 N ATOM 1259 CA GLY A 80 -14.364 -2.404 7.247 1.00 0.00 C ATOM 1260 C GLY A 80 -15.411 -3.485 7.433 1.00 0.00 C ATOM 1261 O GLY A 80 -15.165 -4.655 7.140 1.00 0.00 O ATOM 0 H GLY A 80 -14.401 -2.247 5.158 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.587 -2.522 8.002 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.821 -1.428 7.409 1.00 0.00 H new ATOM 1265 N THR A 81 -16.583 -3.094 7.923 1.00 0.00 N ATOM 1266 CA THR A 81 -17.669 -4.038 8.151 1.00 0.00 C ATOM 1267 C THR A 81 -18.414 -4.343 6.856 1.00 0.00 C ATOM 1268 O THR A 81 -18.589 -5.504 6.488 1.00 0.00 O ATOM 1269 CB THR A 81 -18.671 -3.501 9.191 1.00 0.00 C ATOM 1270 OG1 THR A 81 -17.970 -3.022 10.344 1.00 0.00 O ATOM 1271 CG2 THR A 81 -19.656 -4.585 9.603 1.00 0.00 C ATOM 0 H THR A 81 -16.804 -2.129 8.170 1.00 0.00 H new ATOM 0 HA THR A 81 -17.217 -4.954 8.531 1.00 0.00 H new ATOM 0 HB THR A 81 -19.227 -2.680 8.738 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.613 -2.681 11.000 1.00 0.00 H new ATOM 0 HG21 THR A 81 -20.353 -4.183 10.338 1.00 0.00 H new ATOM 0 HG22 THR A 81 -20.208 -4.927 8.728 1.00 0.00 H new ATOM 0 HG23 THR A 81 -19.113 -5.423 10.039 1.00 0.00 H new ATOM 1279 N SER A 82 -18.848 -3.292 6.167 1.00 0.00 N ATOM 1280 CA SER A 82 -19.577 -3.448 4.913 1.00 0.00 C ATOM 1281 C SER A 82 -18.838 -2.764 3.767 1.00 0.00 C ATOM 1282 O SER A 82 -19.140 -1.626 3.410 1.00 0.00 O ATOM 1283 CB SER A 82 -20.987 -2.870 5.043 1.00 0.00 C ATOM 1284 OG SER A 82 -21.742 -3.578 6.011 1.00 0.00 O ATOM 0 H SER A 82 -18.708 -2.324 6.456 1.00 0.00 H new ATOM 0 HA SER A 82 -19.648 -4.513 4.692 1.00 0.00 H new ATOM 0 HB2 SER A 82 -20.928 -1.818 5.322 1.00 0.00 H new ATOM 0 HB3 SER A 82 -21.492 -2.916 4.078 1.00 0.00 H new ATOM 0 HG SER A 82 -22.639 -3.188 6.076 1.00 0.00 H new ATOM 1290 N ALA A 83 -17.867 -3.468 3.194 1.00 0.00 N ATOM 1291 CA ALA A 83 -17.085 -2.931 2.087 1.00 0.00 C ATOM 1292 C ALA A 83 -16.367 -4.044 1.331 1.00 0.00 C ATOM 1293 O ALA A 83 -15.494 -4.717 1.879 1.00 0.00 O ATOM 1294 CB ALA A 83 -16.084 -1.906 2.597 1.00 0.00 C ATOM 0 H ALA A 83 -17.603 -4.411 3.478 1.00 0.00 H new ATOM 0 HA ALA A 83 -17.770 -2.441 1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -15.507 -1.513 1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -16.616 -1.090 3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.411 -2.379 3.312 1.00 0.00 H new ATOM 1300 N TYR A 84 -16.741 -4.233 0.070 1.00 0.00 N ATOM 1301 CA TYR A 84 -16.135 -5.267 -0.760 1.00 0.00 C ATOM 1302 C TYR A 84 -15.522 -4.664 -2.020 1.00 0.00 C ATOM 1303 O TYR A 84 -16.035 -3.688 -2.569 1.00 0.00 O ATOM 1304 CB TYR A 84 -17.176 -6.321 -1.140 1.00 0.00 C ATOM 1305 CG TYR A 84 -17.318 -7.427 -0.119 1.00 0.00 C ATOM 1306 CD1 TYR A 84 -17.795 -7.163 1.159 1.00 0.00 C ATOM 1307 CD2 TYR A 84 -16.976 -8.737 -0.432 1.00 0.00 C ATOM 1308 CE1 TYR A 84 -17.926 -8.170 2.095 1.00 0.00 C ATOM 1309 CE2 TYR A 84 -17.105 -9.751 0.497 1.00 0.00 C ATOM 1310 CZ TYR A 84 -17.580 -9.463 1.759 1.00 0.00 C ATOM 1311 OH TYR A 84 -17.710 -10.469 2.689 1.00 0.00 O ATOM 0 H TYR A 84 -17.461 -3.684 -0.399 1.00 0.00 H new ATOM 0 HA TYR A 84 -15.341 -5.742 -0.183 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -18.142 -5.834 -1.273 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -16.905 -6.758 -2.101 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -18.068 -6.153 1.425 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -16.603 -8.966 -1.419 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -18.297 -7.947 3.084 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -16.835 -10.764 0.236 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.425 -11.319 2.293 1.00 0.00 H new ATOM 1321 N PHE A 85 -14.420 -5.252 -2.474 1.00 0.00 N ATOM 1322 CA PHE A 85 -13.736 -4.774 -3.670 1.00 0.00 C ATOM 1323 C PHE A 85 -12.955 -5.902 -4.338 1.00 0.00 C ATOM 1324 O PHE A 85 -12.120 -6.550 -3.708 1.00 0.00 O ATOM 1325 CB PHE A 85 -12.790 -3.624 -3.316 1.00 0.00 C ATOM 1326 CG PHE A 85 -13.484 -2.446 -2.695 1.00 0.00 C ATOM 1327 CD1 PHE A 85 -13.735 -2.413 -1.332 1.00 0.00 C ATOM 1328 CD2 PHE A 85 -13.885 -1.372 -3.472 1.00 0.00 C ATOM 1329 CE1 PHE A 85 -14.374 -1.331 -0.757 1.00 0.00 C ATOM 1330 CE2 PHE A 85 -14.523 -0.287 -2.903 1.00 0.00 C ATOM 1331 CZ PHE A 85 -14.769 -0.267 -1.544 1.00 0.00 C ATOM 0 H PHE A 85 -13.982 -6.060 -2.032 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.490 -4.414 -4.370 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -12.027 -3.990 -2.629 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.275 -3.297 -4.219 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.428 -3.242 -0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.697 -1.383 -4.535 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.564 -1.317 0.306 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.829 0.545 -3.520 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.270 0.579 -1.097 1.00 0.00 H new ATOM 1341 N GLU A 86 -13.236 -6.132 -5.617 1.00 0.00 N ATOM 1342 CA GLU A 86 -12.562 -7.183 -6.369 1.00 0.00 C ATOM 1343 C GLU A 86 -11.047 -7.065 -6.230 1.00 0.00 C ATOM 1344 O GLU A 86 -10.333 -8.068 -6.231 1.00 0.00 O ATOM 1345 CB GLU A 86 -12.956 -7.116 -7.846 1.00 0.00 C ATOM 1346 CG GLU A 86 -12.929 -8.465 -8.545 1.00 0.00 C ATOM 1347 CD GLU A 86 -14.229 -9.229 -8.390 1.00 0.00 C ATOM 1348 OE1 GLU A 86 -15.263 -8.590 -8.105 1.00 0.00 O ATOM 1349 OE2 GLU A 86 -14.213 -10.467 -8.554 1.00 0.00 O ATOM 0 H GLU A 86 -13.925 -5.605 -6.153 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.873 -8.144 -5.960 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.958 -6.694 -7.927 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.280 -6.435 -8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.724 -8.316 -9.605 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.111 -9.062 -8.142 1.00 0.00 H new ATOM 1356 N SER A 87 -10.563 -5.833 -6.111 1.00 0.00 N ATOM 1357 CA SER A 87 -9.133 -5.583 -5.976 1.00 0.00 C ATOM 1358 C SER A 87 -8.878 -4.230 -5.319 1.00 0.00 C ATOM 1359 O SER A 87 -9.558 -3.245 -5.613 1.00 0.00 O ATOM 1360 CB SER A 87 -8.453 -5.634 -7.346 1.00 0.00 C ATOM 1361 OG SER A 87 -9.117 -4.796 -8.276 1.00 0.00 O ATOM 0 H SER A 87 -11.140 -4.992 -6.105 1.00 0.00 H new ATOM 0 HA SER A 87 -8.711 -6.361 -5.340 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.412 -5.324 -7.251 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.448 -6.660 -7.715 1.00 0.00 H new ATOM 0 HG SER A 87 -8.663 -4.845 -9.143 1.00 0.00 H new ATOM 1367 N LEU A 88 -7.894 -4.188 -4.427 1.00 0.00 N ATOM 1368 CA LEU A 88 -7.548 -2.956 -3.727 1.00 0.00 C ATOM 1369 C LEU A 88 -7.576 -1.763 -4.677 1.00 0.00 C ATOM 1370 O LEU A 88 -7.782 -0.625 -4.256 1.00 0.00 O ATOM 1371 CB LEU A 88 -6.163 -3.081 -3.089 1.00 0.00 C ATOM 1372 CG LEU A 88 -6.012 -4.167 -2.022 1.00 0.00 C ATOM 1373 CD1 LEU A 88 -4.571 -4.649 -1.952 1.00 0.00 C ATOM 1374 CD2 LEU A 88 -6.470 -3.650 -0.666 1.00 0.00 C ATOM 0 H LEU A 88 -7.322 -4.993 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.289 -2.792 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.437 -3.272 -3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.903 -2.122 -2.642 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.643 -5.012 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.482 -5.421 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.277 -5.059 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.919 -3.812 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.355 -4.436 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.865 -2.789 -0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.518 -3.355 -0.724 1.00 0.00 H new ATOM 1386 N VAL A 89 -7.369 -2.032 -5.963 1.00 0.00 N ATOM 1387 CA VAL A 89 -7.374 -0.981 -6.974 1.00 0.00 C ATOM 1388 C VAL A 89 -8.705 -0.238 -6.987 1.00 0.00 C ATOM 1389 O VAL A 89 -8.739 0.991 -7.026 1.00 0.00 O ATOM 1390 CB VAL A 89 -7.103 -1.553 -8.378 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -7.105 -0.441 -9.417 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -5.784 -2.311 -8.399 1.00 0.00 C ATOM 0 H VAL A 89 -7.196 -2.968 -6.329 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.576 -0.286 -6.713 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.901 -2.252 -8.627 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.912 -0.864 -10.403 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.076 0.054 -9.418 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.328 0.285 -9.175 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.609 -2.708 -9.399 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.972 -1.636 -8.129 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.825 -3.133 -7.684 1.00 0.00 H new ATOM 1402 N GLU A 90 -9.798 -0.993 -6.955 1.00 0.00 N ATOM 1403 CA GLU A 90 -11.132 -0.405 -6.964 1.00 0.00 C ATOM 1404 C GLU A 90 -11.417 0.318 -5.650 1.00 0.00 C ATOM 1405 O GLU A 90 -12.200 1.268 -5.608 1.00 0.00 O ATOM 1406 CB GLU A 90 -12.189 -1.485 -7.204 1.00 0.00 C ATOM 1407 CG GLU A 90 -12.090 -2.140 -8.571 1.00 0.00 C ATOM 1408 CD GLU A 90 -11.747 -1.151 -9.668 1.00 0.00 C ATOM 1409 OE1 GLU A 90 -12.631 -0.354 -10.047 1.00 0.00 O ATOM 1410 OE2 GLU A 90 -10.594 -1.174 -10.147 1.00 0.00 O ATOM 0 H GLU A 90 -9.786 -2.012 -6.923 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.175 0.321 -7.776 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.094 -2.252 -6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.179 -1.043 -7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.331 -2.922 -8.541 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.037 -2.625 -8.807 1.00 0.00 H new ATOM 1417 N LEU A 91 -10.777 -0.139 -4.580 1.00 0.00 N ATOM 1418 CA LEU A 91 -10.960 0.463 -3.263 1.00 0.00 C ATOM 1419 C LEU A 91 -10.516 1.922 -3.265 1.00 0.00 C ATOM 1420 O LEU A 91 -11.220 2.797 -2.760 1.00 0.00 O ATOM 1421 CB LEU A 91 -10.176 -0.321 -2.209 1.00 0.00 C ATOM 1422 CG LEU A 91 -10.388 0.111 -0.757 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -10.206 -1.070 0.183 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -9.433 1.238 -0.392 1.00 0.00 C ATOM 0 H LEU A 91 -10.127 -0.924 -4.598 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.021 0.427 -3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -10.442 -1.375 -2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.114 -0.240 -2.440 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.409 0.478 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.361 -0.744 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.930 -1.847 -0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.197 -1.468 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.598 1.533 0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.405 0.897 -0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.612 2.092 -1.045 1.00 0.00 H new ATOM 1436 N VAL A 92 -9.343 2.177 -3.837 1.00 0.00 N ATOM 1437 CA VAL A 92 -8.806 3.531 -3.907 1.00 0.00 C ATOM 1438 C VAL A 92 -9.667 4.418 -4.799 1.00 0.00 C ATOM 1439 O VAL A 92 -9.949 5.568 -4.461 1.00 0.00 O ATOM 1440 CB VAL A 92 -7.361 3.534 -4.440 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -6.870 4.959 -4.645 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -6.443 2.776 -3.494 1.00 0.00 C ATOM 0 H VAL A 92 -8.747 1.464 -4.258 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.812 3.927 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.347 3.028 -5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.847 4.941 -5.022 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.513 5.465 -5.365 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.897 5.493 -3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.426 2.788 -3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.459 3.251 -2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.785 1.745 -3.404 1.00 0.00 H new ATOM 1452 N SER A 93 -10.083 3.877 -5.939 1.00 0.00 N ATOM 1453 CA SER A 93 -10.910 4.620 -6.882 1.00 0.00 C ATOM 1454 C SER A 93 -12.317 4.822 -6.329 1.00 0.00 C ATOM 1455 O SER A 93 -13.125 5.549 -6.907 1.00 0.00 O ATOM 1456 CB SER A 93 -10.977 3.887 -8.223 1.00 0.00 C ATOM 1457 OG SER A 93 -9.866 4.214 -9.039 1.00 0.00 O ATOM 0 H SER A 93 -9.861 2.926 -6.232 1.00 0.00 H new ATOM 0 HA SER A 93 -10.454 5.598 -7.034 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.002 2.811 -8.052 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.901 4.149 -8.739 1.00 0.00 H new ATOM 0 HG SER A 93 -9.931 3.731 -9.889 1.00 0.00 H new ATOM 1463 N TYR A 94 -12.602 4.174 -5.205 1.00 0.00 N ATOM 1464 CA TYR A 94 -13.912 4.280 -4.573 1.00 0.00 C ATOM 1465 C TYR A 94 -13.903 5.336 -3.472 1.00 0.00 C ATOM 1466 O TYR A 94 -14.801 6.174 -3.393 1.00 0.00 O ATOM 1467 CB TYR A 94 -14.333 2.928 -3.995 1.00 0.00 C ATOM 1468 CG TYR A 94 -15.724 2.929 -3.403 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -16.846 2.808 -4.214 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -15.917 3.050 -2.032 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -18.119 2.809 -3.677 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -17.187 3.051 -1.487 1.00 0.00 C ATOM 1473 CZ TYR A 94 -18.284 2.931 -2.313 1.00 0.00 C ATOM 1474 OH TYR A 94 -19.550 2.931 -1.775 1.00 0.00 O ATOM 0 H TYR A 94 -11.944 3.570 -4.713 1.00 0.00 H new ATOM 0 HA TYR A 94 -14.631 4.582 -5.335 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -14.282 2.175 -4.781 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -13.620 2.634 -3.225 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -16.721 2.712 -5.282 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -15.060 3.145 -1.382 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -18.980 2.715 -4.322 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -17.319 3.145 -0.419 1.00 0.00 H new ATOM 0 HH TYR A 94 -19.492 3.024 -0.801 1.00 0.00 H new ATOM 1484 N TYR A 95 -12.881 5.289 -2.625 1.00 0.00 N ATOM 1485 CA TYR A 95 -12.754 6.239 -1.527 1.00 0.00 C ATOM 1486 C TYR A 95 -12.386 7.626 -2.047 1.00 0.00 C ATOM 1487 O TYR A 95 -12.469 8.615 -1.319 1.00 0.00 O ATOM 1488 CB TYR A 95 -11.698 5.760 -0.529 1.00 0.00 C ATOM 1489 CG TYR A 95 -12.221 4.748 0.466 1.00 0.00 C ATOM 1490 CD1 TYR A 95 -13.107 5.124 1.468 1.00 0.00 C ATOM 1491 CD2 TYR A 95 -11.828 3.417 0.404 1.00 0.00 C ATOM 1492 CE1 TYR A 95 -13.586 4.204 2.380 1.00 0.00 C ATOM 1493 CE2 TYR A 95 -12.304 2.489 1.311 1.00 0.00 C ATOM 1494 CZ TYR A 95 -13.182 2.888 2.297 1.00 0.00 C ATOM 1495 OH TYR A 95 -13.657 1.967 3.202 1.00 0.00 O ATOM 0 H TYR A 95 -12.128 4.603 -2.678 1.00 0.00 H new ATOM 0 HA TYR A 95 -13.718 6.303 -1.023 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -10.865 5.321 -1.077 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -11.305 6.620 0.013 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.427 6.153 1.535 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -11.139 3.102 -0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -14.273 4.513 3.154 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -11.990 1.457 1.248 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.698 1.084 2.779 1.00 0.00 H new ATOM 1505 N GLU A 96 -11.980 7.688 -3.311 1.00 0.00 N ATOM 1506 CA GLU A 96 -11.599 8.953 -3.929 1.00 0.00 C ATOM 1507 C GLU A 96 -12.745 9.959 -3.860 1.00 0.00 C ATOM 1508 O GLU A 96 -12.542 11.162 -4.022 1.00 0.00 O ATOM 1509 CB GLU A 96 -11.187 8.731 -5.385 1.00 0.00 C ATOM 1510 CG GLU A 96 -9.721 8.369 -5.555 1.00 0.00 C ATOM 1511 CD GLU A 96 -8.829 9.590 -5.674 1.00 0.00 C ATOM 1512 OE1 GLU A 96 -9.302 10.702 -5.361 1.00 0.00 O ATOM 1513 OE2 GLU A 96 -7.659 9.433 -6.081 1.00 0.00 O ATOM 0 H GLU A 96 -11.906 6.878 -3.927 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.750 9.357 -3.377 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.800 7.936 -5.810 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.397 9.636 -5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -9.398 7.769 -4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.604 7.750 -6.445 1.00 0.00 H new ATOM 1520 N LYS A 97 -13.952 9.456 -3.620 1.00 0.00 N ATOM 1521 CA LYS A 97 -15.132 10.308 -3.529 1.00 0.00 C ATOM 1522 C LYS A 97 -15.623 10.405 -2.089 1.00 0.00 C ATOM 1523 O LYS A 97 -16.221 11.406 -1.692 1.00 0.00 O ATOM 1524 CB LYS A 97 -16.248 9.766 -4.425 1.00 0.00 C ATOM 1525 CG LYS A 97 -15.999 9.985 -5.907 1.00 0.00 C ATOM 1526 CD LYS A 97 -16.411 11.381 -6.342 1.00 0.00 C ATOM 1527 CE LYS A 97 -15.262 12.369 -6.205 1.00 0.00 C ATOM 1528 NZ LYS A 97 -15.384 13.498 -7.169 1.00 0.00 N ATOM 0 H LYS A 97 -14.138 8.462 -3.485 1.00 0.00 H new ATOM 0 HA LYS A 97 -14.856 11.307 -3.868 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -16.366 8.698 -4.239 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -17.188 10.243 -4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -14.942 9.832 -6.126 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -16.554 9.245 -6.483 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.749 11.356 -7.378 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -17.255 11.717 -5.740 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -15.239 12.761 -5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.317 11.852 -6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.583 14.149 -7.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -15.381 13.127 -8.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -16.274 14.007 -6.996 1.00 0.00 H new ATOM 1542 N HIS A 98 -15.367 9.359 -1.309 1.00 0.00 N ATOM 1543 CA HIS A 98 -15.782 9.328 0.089 1.00 0.00 C ATOM 1544 C HIS A 98 -14.571 9.262 1.014 1.00 0.00 C ATOM 1545 O HIS A 98 -13.730 8.373 0.889 1.00 0.00 O ATOM 1546 CB HIS A 98 -16.699 8.131 0.344 1.00 0.00 C ATOM 1547 CG HIS A 98 -17.973 8.174 -0.442 1.00 0.00 C ATOM 1548 ND1 HIS A 98 -18.710 7.048 -0.742 1.00 0.00 N ATOM 1549 CD2 HIS A 98 -18.641 9.216 -0.988 1.00 0.00 C ATOM 1550 CE1 HIS A 98 -19.776 7.396 -1.441 1.00 0.00 C ATOM 1551 NE2 HIS A 98 -19.758 8.707 -1.604 1.00 0.00 N ATOM 0 H HIS A 98 -14.874 8.522 -1.621 1.00 0.00 H new ATOM 0 HA HIS A 98 -16.329 10.247 0.301 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -16.162 7.214 0.100 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -16.939 8.087 1.406 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -18.350 10.255 -0.947 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -20.533 6.723 -1.815 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -20.459 9.252 -2.105 1.00 0.00 H new ATOM 1560 N ALA A 99 -14.488 10.211 1.941 1.00 0.00 N ATOM 1561 CA ALA A 99 -13.381 10.260 2.888 1.00 0.00 C ATOM 1562 C ALA A 99 -13.066 8.872 3.437 1.00 0.00 C ATOM 1563 O ALA A 99 -13.965 8.053 3.633 1.00 0.00 O ATOM 1564 CB ALA A 99 -13.700 11.219 4.025 1.00 0.00 C ATOM 0 H ALA A 99 -15.175 10.956 2.056 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.499 10.622 2.359 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -12.864 11.245 4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -13.868 12.218 3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -14.597 10.882 4.544 1.00 0.00 H new ATOM 1570 N LEU A 100 -11.786 8.615 3.682 1.00 0.00 N ATOM 1571 CA LEU A 100 -11.353 7.325 4.208 1.00 0.00 C ATOM 1572 C LEU A 100 -11.358 7.330 5.734 1.00 0.00 C ATOM 1573 O LEU A 100 -11.829 6.384 6.366 1.00 0.00 O ATOM 1574 CB LEU A 100 -9.953 6.987 3.693 1.00 0.00 C ATOM 1575 CG LEU A 100 -9.223 5.859 4.424 1.00 0.00 C ATOM 1576 CD1 LEU A 100 -9.650 4.505 3.879 1.00 0.00 C ATOM 1577 CD2 LEU A 100 -7.716 6.034 4.304 1.00 0.00 C ATOM 0 H LEU A 100 -11.030 9.282 3.525 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.054 6.565 3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.030 6.720 2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.340 7.886 3.750 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.491 5.903 5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.120 3.715 4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.724 4.379 4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.413 4.449 2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.212 5.223 4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.430 6.017 3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.424 6.988 4.744 1.00 0.00 H new ATOM 1589 N TYR A 101 -10.834 8.401 6.319 1.00 0.00 N ATOM 1590 CA TYR A 101 -10.779 8.529 7.770 1.00 0.00 C ATOM 1591 C TYR A 101 -11.703 9.641 8.255 1.00 0.00 C ATOM 1592 O TYR A 101 -12.753 9.379 8.842 1.00 0.00 O ATOM 1593 CB TYR A 101 -9.345 8.809 8.224 1.00 0.00 C ATOM 1594 CG TYR A 101 -9.255 9.420 9.604 1.00 0.00 C ATOM 1595 CD1 TYR A 101 -10.133 9.042 10.611 1.00 0.00 C ATOM 1596 CD2 TYR A 101 -8.290 10.375 9.900 1.00 0.00 C ATOM 1597 CE1 TYR A 101 -10.055 9.598 11.873 1.00 0.00 C ATOM 1598 CE2 TYR A 101 -8.203 10.935 11.160 1.00 0.00 C ATOM 1599 CZ TYR A 101 -9.088 10.544 12.143 1.00 0.00 C ATOM 1600 OH TYR A 101 -9.006 11.100 13.399 1.00 0.00 O ATOM 0 H TYR A 101 -10.441 9.193 5.811 1.00 0.00 H new ATOM 0 HA TYR A 101 -11.114 7.587 8.205 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -8.780 7.877 8.211 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -8.870 9.479 7.507 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -10.890 8.300 10.404 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -7.596 10.685 9.132 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -10.747 9.294 12.644 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.446 11.675 11.374 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.271 11.748 13.423 1.00 0.00 H new ATOM 1610 N ARG A 102 -11.305 10.884 8.004 1.00 0.00 N ATOM 1611 CA ARG A 102 -12.097 12.038 8.415 1.00 0.00 C ATOM 1612 C ARG A 102 -11.596 13.310 7.737 1.00 0.00 C ATOM 1613 O ARG A 102 -10.400 13.602 7.747 1.00 0.00 O ATOM 1614 CB ARG A 102 -12.046 12.203 9.935 1.00 0.00 C ATOM 1615 CG ARG A 102 -13.265 12.902 10.512 1.00 0.00 C ATOM 1616 CD ARG A 102 -14.380 11.915 10.820 1.00 0.00 C ATOM 1617 NE ARG A 102 -15.407 12.499 11.679 1.00 0.00 N ATOM 1618 CZ ARG A 102 -16.631 11.999 11.805 1.00 0.00 C ATOM 1619 NH1 ARG A 102 -16.980 10.912 11.131 1.00 0.00 N ATOM 1620 NH2 ARG A 102 -17.510 12.587 12.607 1.00 0.00 N ATOM 0 H ARG A 102 -10.439 11.118 7.518 1.00 0.00 H new ATOM 0 HA ARG A 102 -13.129 11.866 8.110 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -11.949 11.220 10.396 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -11.153 12.769 10.201 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -12.985 13.432 11.423 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -13.625 13.650 9.806 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -14.835 11.580 9.888 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.960 11.034 11.305 1.00 0.00 H new ATOM 0 HE ARG A 102 -15.171 13.337 12.211 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -16.308 10.457 10.513 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -17.921 10.531 11.230 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -17.246 13.424 13.127 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -18.450 12.202 12.703 1.00 0.00 H new ATOM 1634 N LYS A 103 -12.519 14.063 7.149 1.00 0.00 N ATOM 1635 CA LYS A 103 -12.173 15.305 6.467 1.00 0.00 C ATOM 1636 C LYS A 103 -10.922 15.126 5.612 1.00 0.00 C ATOM 1637 O LYS A 103 -10.006 15.946 5.657 1.00 0.00 O ATOM 1638 CB LYS A 103 -11.952 16.426 7.485 1.00 0.00 C ATOM 1639 CG LYS A 103 -13.225 16.873 8.182 1.00 0.00 C ATOM 1640 CD LYS A 103 -14.043 17.805 7.305 1.00 0.00 C ATOM 1641 CE LYS A 103 -13.517 19.231 7.364 1.00 0.00 C ATOM 1642 NZ LYS A 103 -12.438 19.466 6.366 1.00 0.00 N ATOM 0 H LYS A 103 -13.513 13.835 7.131 1.00 0.00 H new ATOM 0 HA LYS A 103 -13.003 15.575 5.814 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -11.236 16.089 8.235 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -11.505 17.282 6.979 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -13.823 16.000 8.444 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.972 17.378 9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.020 17.450 6.275 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -15.085 17.787 7.625 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.336 19.928 7.184 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.137 19.437 8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -12.595 20.379 5.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -11.516 19.479 6.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -12.448 18.704 5.658 1.00 0.00 H new ATOM 1656 N MET A 104 -10.891 14.048 4.834 1.00 0.00 N ATOM 1657 CA MET A 104 -9.753 13.764 3.968 1.00 0.00 C ATOM 1658 C MET A 104 -10.077 12.631 3.000 1.00 0.00 C ATOM 1659 O MET A 104 -10.824 11.711 3.334 1.00 0.00 O ATOM 1660 CB MET A 104 -8.525 13.401 4.805 1.00 0.00 C ATOM 1661 CG MET A 104 -8.601 12.015 5.426 1.00 0.00 C ATOM 1662 SD MET A 104 -6.976 11.275 5.673 1.00 0.00 S ATOM 1663 CE MET A 104 -6.660 10.599 4.045 1.00 0.00 C ATOM 0 H MET A 104 -11.640 13.358 4.786 1.00 0.00 H new ATOM 0 HA MET A 104 -9.536 14.662 3.389 1.00 0.00 H new ATOM 0 HB2 MET A 104 -7.636 13.460 4.176 1.00 0.00 H new ATOM 0 HB3 MET A 104 -8.405 14.139 5.598 1.00 0.00 H new ATOM 0 HG2 MET A 104 -9.117 12.078 6.384 1.00 0.00 H new ATOM 0 HG3 MET A 104 -9.198 11.366 4.785 1.00 0.00 H new ATOM 0 HE1 MET A 104 -5.664 10.895 3.715 1.00 0.00 H new ATOM 0 HE2 MET A 104 -6.721 9.511 4.085 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.403 10.978 3.343 1.00 0.00 H new ATOM 1673 N ARG A 105 -9.510 12.703 1.800 1.00 0.00 N ATOM 1674 CA ARG A 105 -9.740 11.684 0.783 1.00 0.00 C ATOM 1675 C ARG A 105 -8.462 11.399 0.000 1.00 0.00 C ATOM 1676 O ARG A 105 -7.565 12.240 -0.072 1.00 0.00 O ATOM 1677 CB ARG A 105 -10.849 12.127 -0.172 1.00 0.00 C ATOM 1678 CG ARG A 105 -12.107 12.605 0.534 1.00 0.00 C ATOM 1679 CD ARG A 105 -12.844 13.651 -0.287 1.00 0.00 C ATOM 1680 NE ARG A 105 -12.377 15.004 0.004 1.00 0.00 N ATOM 1681 CZ ARG A 105 -12.689 16.064 -0.734 1.00 0.00 C ATOM 1682 NH1 ARG A 105 -13.465 15.928 -1.801 1.00 0.00 N ATOM 1683 NH2 ARG A 105 -12.226 17.263 -0.405 1.00 0.00 N ATOM 0 H ARG A 105 -8.888 13.457 1.508 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.049 10.768 1.286 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -10.472 12.929 -0.806 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.105 11.295 -0.829 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.766 11.757 0.720 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.844 13.023 1.506 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.708 13.441 -1.348 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.913 13.585 -0.083 1.00 0.00 H new ATOM 0 HE ARG A 105 -11.779 15.143 0.818 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.824 15.008 -2.057 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.703 16.743 -2.366 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -11.630 17.372 0.415 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -12.466 18.076 -0.972 1.00 0.00 H new ATOM 1697 N LEU A 106 -8.386 10.209 -0.585 1.00 0.00 N ATOM 1698 CA LEU A 106 -7.217 9.813 -1.364 1.00 0.00 C ATOM 1699 C LEU A 106 -7.029 10.729 -2.568 1.00 0.00 C ATOM 1700 O LEU A 106 -7.315 10.346 -3.703 1.00 0.00 O ATOM 1701 CB LEU A 106 -7.358 8.362 -1.829 1.00 0.00 C ATOM 1702 CG LEU A 106 -7.855 7.367 -0.781 1.00 0.00 C ATOM 1703 CD1 LEU A 106 -7.866 5.956 -1.347 1.00 0.00 C ATOM 1704 CD2 LEU A 106 -6.992 7.434 0.471 1.00 0.00 C ATOM 0 H LEU A 106 -9.119 9.502 -0.535 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.338 9.900 -0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.042 8.338 -2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.388 8.022 -2.193 1.00 0.00 H new ATOM 0 HG LEU A 106 -8.876 7.636 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.223 5.262 -0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.527 5.916 -2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.856 5.677 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.361 6.719 1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.960 7.192 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.036 8.439 0.890 1.00 0.00 H new ATOM 1716 N ARG A 107 -6.545 11.940 -2.314 1.00 0.00 N ATOM 1717 CA ARG A 107 -6.317 12.911 -3.378 1.00 0.00 C ATOM 1718 C ARG A 107 -4.960 12.686 -4.038 1.00 0.00 C ATOM 1719 O ARG A 107 -4.839 12.726 -5.263 1.00 0.00 O ATOM 1720 CB ARG A 107 -6.398 14.335 -2.824 1.00 0.00 C ATOM 1721 CG ARG A 107 -6.317 15.410 -3.895 1.00 0.00 C ATOM 1722 CD ARG A 107 -6.952 16.711 -3.428 1.00 0.00 C ATOM 1723 NE ARG A 107 -7.474 17.496 -4.543 1.00 0.00 N ATOM 1724 CZ ARG A 107 -7.796 18.782 -4.450 1.00 0.00 C ATOM 1725 NH1 ARG A 107 -7.649 19.423 -3.298 1.00 0.00 N ATOM 1726 NH2 ARG A 107 -8.265 19.428 -5.509 1.00 0.00 N ATOM 0 H ARG A 107 -6.303 12.273 -1.381 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.094 12.777 -4.131 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.333 14.450 -2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.589 14.484 -2.109 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.274 15.587 -4.157 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.818 15.063 -4.799 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.760 16.490 -2.731 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.214 17.300 -2.884 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.598 17.032 -5.443 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -7.288 18.929 -2.482 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.897 20.410 -3.228 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.379 18.938 -6.396 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.512 20.415 -5.436 1.00 0.00 H new ATOM 1740 N TYR A 108 -3.941 12.451 -3.218 1.00 0.00 N ATOM 1741 CA TYR A 108 -2.592 12.224 -3.722 1.00 0.00 C ATOM 1742 C TYR A 108 -2.028 10.908 -3.194 1.00 0.00 C ATOM 1743 O TYR A 108 -1.581 10.809 -2.051 1.00 0.00 O ATOM 1744 CB TYR A 108 -1.674 13.381 -3.323 1.00 0.00 C ATOM 1745 CG TYR A 108 -2.252 14.744 -3.628 1.00 0.00 C ATOM 1746 CD1 TYR A 108 -2.096 15.323 -4.881 1.00 0.00 C ATOM 1747 CD2 TYR A 108 -2.956 15.453 -2.662 1.00 0.00 C ATOM 1748 CE1 TYR A 108 -2.622 16.569 -5.163 1.00 0.00 C ATOM 1749 CE2 TYR A 108 -3.487 16.699 -2.936 1.00 0.00 C ATOM 1750 CZ TYR A 108 -3.316 17.253 -4.187 1.00 0.00 C ATOM 1751 OH TYR A 108 -3.843 18.494 -4.465 1.00 0.00 O ATOM 0 H TYR A 108 -4.024 12.413 -2.202 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.643 12.167 -4.809 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.463 13.315 -2.256 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.722 13.275 -3.843 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -1.554 14.790 -5.648 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.090 15.023 -1.681 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.490 17.005 -6.142 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.033 17.236 -2.174 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.302 18.840 -3.671 1.00 0.00 H new ATOM 1761 N PRO A 109 -2.050 9.872 -4.045 1.00 0.00 N ATOM 1762 CA PRO A 109 -1.544 8.543 -3.689 1.00 0.00 C ATOM 1763 C PRO A 109 -0.026 8.520 -3.545 1.00 0.00 C ATOM 1764 O PRO A 109 0.703 8.600 -4.534 1.00 0.00 O ATOM 1765 CB PRO A 109 -1.983 7.669 -4.866 1.00 0.00 C ATOM 1766 CG PRO A 109 -2.112 8.612 -6.011 1.00 0.00 C ATOM 1767 CD PRO A 109 -2.569 9.919 -5.423 1.00 0.00 C ATOM 0 HA PRO A 109 -1.926 8.206 -2.725 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.250 6.890 -5.076 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -2.929 7.169 -4.657 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.160 8.729 -6.529 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -2.830 8.241 -6.743 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.169 10.770 -5.975 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.655 10.010 -5.441 1.00 0.00 H new ATOM 1775 N VAL A 110 0.445 8.410 -2.307 1.00 0.00 N ATOM 1776 CA VAL A 110 1.877 8.375 -2.034 1.00 0.00 C ATOM 1777 C VAL A 110 2.601 7.462 -3.017 1.00 0.00 C ATOM 1778 O VAL A 110 2.264 6.286 -3.154 1.00 0.00 O ATOM 1779 CB VAL A 110 2.163 7.895 -0.598 1.00 0.00 C ATOM 1780 CG1 VAL A 110 3.661 7.829 -0.346 1.00 0.00 C ATOM 1781 CG2 VAL A 110 1.483 8.805 0.413 1.00 0.00 C ATOM 0 H VAL A 110 -0.144 8.344 -1.477 1.00 0.00 H new ATOM 0 HA VAL A 110 2.247 9.394 -2.149 1.00 0.00 H new ATOM 0 HB VAL A 110 1.755 6.891 -0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 110 3.844 7.488 0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.118 7.133 -1.049 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.097 8.819 -0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 110 1.696 8.451 1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.859 9.822 0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.406 8.795 0.245 1.00 0.00 H new ATOM 1791 N THR A 111 3.600 8.012 -3.700 1.00 0.00 N ATOM 1792 CA THR A 111 4.373 7.249 -4.672 1.00 0.00 C ATOM 1793 C THR A 111 5.867 7.352 -4.389 1.00 0.00 C ATOM 1794 O THR A 111 6.342 8.302 -3.767 1.00 0.00 O ATOM 1795 CB THR A 111 4.100 7.729 -6.110 1.00 0.00 C ATOM 1796 OG1 THR A 111 3.954 9.154 -6.131 1.00 0.00 O ATOM 1797 CG2 THR A 111 2.844 7.078 -6.668 1.00 0.00 C ATOM 0 H THR A 111 3.893 8.984 -3.598 1.00 0.00 H new ATOM 0 HA THR A 111 4.059 6.209 -4.579 1.00 0.00 H new ATOM 0 HB THR A 111 4.947 7.441 -6.733 1.00 0.00 H new ATOM 0 HG1 THR A 111 3.782 9.452 -7.049 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.671 7.432 -7.684 1.00 0.00 H new ATOM 0 HG22 THR A 111 2.969 5.995 -6.677 1.00 0.00 H new ATOM 0 HG23 THR A 111 1.990 7.339 -6.043 1.00 0.00 H new ATOM 1805 N PRO A 112 6.629 6.352 -4.857 1.00 0.00 N ATOM 1806 CA PRO A 112 8.082 6.308 -4.667 1.00 0.00 C ATOM 1807 C PRO A 112 8.806 7.373 -5.485 1.00 0.00 C ATOM 1808 O PRO A 112 9.973 7.671 -5.236 1.00 0.00 O ATOM 1809 CB PRO A 112 8.462 4.908 -5.156 1.00 0.00 C ATOM 1810 CG PRO A 112 7.388 4.539 -6.119 1.00 0.00 C ATOM 1811 CD PRO A 112 6.131 5.187 -5.607 1.00 0.00 C ATOM 0 HA PRO A 112 8.364 6.504 -3.632 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.441 4.908 -5.636 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.513 4.200 -4.329 1.00 0.00 H new ATOM 0 HG2 PRO A 112 7.627 4.890 -7.123 1.00 0.00 H new ATOM 0 HG3 PRO A 112 7.273 3.457 -6.179 1.00 0.00 H new ATOM 0 HD2 PRO A 112 5.472 5.486 -6.422 1.00 0.00 H new ATOM 0 HD3 PRO A 112 5.562 4.511 -4.968 1.00 0.00 H new ATOM 1819 N GLU A 113 8.104 7.942 -6.460 1.00 0.00 N ATOM 1820 CA GLU A 113 8.682 8.973 -7.314 1.00 0.00 C ATOM 1821 C GLU A 113 8.457 10.360 -6.720 1.00 0.00 C ATOM 1822 O GLU A 113 9.240 11.282 -6.953 1.00 0.00 O ATOM 1823 CB GLU A 113 8.075 8.903 -8.717 1.00 0.00 C ATOM 1824 CG GLU A 113 8.286 10.166 -9.535 1.00 0.00 C ATOM 1825 CD GLU A 113 8.142 9.927 -11.025 1.00 0.00 C ATOM 1826 OE1 GLU A 113 8.661 8.901 -11.514 1.00 0.00 O ATOM 1827 OE2 GLU A 113 7.510 10.764 -11.703 1.00 0.00 O ATOM 0 H GLU A 113 7.136 7.707 -6.678 1.00 0.00 H new ATOM 0 HA GLU A 113 9.755 8.795 -7.380 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.510 8.058 -9.250 1.00 0.00 H new ATOM 0 HB3 GLU A 113 7.006 8.710 -8.632 1.00 0.00 H new ATOM 0 HG2 GLU A 113 7.566 10.922 -9.221 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.279 10.566 -9.329 1.00 0.00 H new ATOM 1834 N LEU A 114 7.383 10.501 -5.950 1.00 0.00 N ATOM 1835 CA LEU A 114 7.054 11.776 -5.322 1.00 0.00 C ATOM 1836 C LEU A 114 8.081 12.138 -4.254 1.00 0.00 C ATOM 1837 O LEU A 114 8.600 13.254 -4.230 1.00 0.00 O ATOM 1838 CB LEU A 114 5.657 11.715 -4.702 1.00 0.00 C ATOM 1839 CG LEU A 114 5.062 13.052 -4.257 1.00 0.00 C ATOM 1840 CD1 LEU A 114 4.283 13.695 -5.394 1.00 0.00 C ATOM 1841 CD2 LEU A 114 4.170 12.859 -3.039 1.00 0.00 C ATOM 0 H LEU A 114 6.726 9.748 -5.746 1.00 0.00 H new ATOM 0 HA LEU A 114 7.070 12.547 -6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 114 4.980 11.261 -5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.693 11.051 -3.839 1.00 0.00 H new ATOM 0 HG LEU A 114 5.880 13.718 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.867 14.645 -5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 114 4.949 13.869 -6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.473 13.033 -5.701 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.755 13.820 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.358 12.175 -3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.757 12.443 -2.220 1.00 0.00 H new ATOM 1853 N LEU A 115 8.373 11.186 -3.374 1.00 0.00 N ATOM 1854 CA LEU A 115 9.340 11.403 -2.304 1.00 0.00 C ATOM 1855 C LEU A 115 10.600 12.077 -2.838 1.00 0.00 C ATOM 1856 O LEU A 115 11.061 13.077 -2.288 1.00 0.00 O ATOM 1857 CB LEU A 115 9.702 10.074 -1.640 1.00 0.00 C ATOM 1858 CG LEU A 115 8.791 9.624 -0.497 1.00 0.00 C ATOM 1859 CD1 LEU A 115 9.074 10.430 0.761 1.00 0.00 C ATOM 1860 CD2 LEU A 115 7.329 9.756 -0.899 1.00 0.00 C ATOM 0 H LEU A 115 7.954 10.256 -3.381 1.00 0.00 H new ATOM 0 HA LEU A 115 8.884 12.060 -1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.703 9.297 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.721 10.147 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 115 8.997 8.575 -0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.416 10.095 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.112 10.286 1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.897 11.487 0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.694 9.432 -0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.110 10.797 -1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.134 9.134 -1.773 1.00 0.00 H new ATOM 1872 N GLU A 116 11.150 11.524 -3.915 1.00 0.00 N ATOM 1873 CA GLU A 116 12.356 12.074 -4.524 1.00 0.00 C ATOM 1874 C GLU A 116 12.041 13.350 -5.299 1.00 0.00 C ATOM 1875 O GLU A 116 12.754 14.348 -5.189 1.00 0.00 O ATOM 1876 CB GLU A 116 12.999 11.044 -5.455 1.00 0.00 C ATOM 1877 CG GLU A 116 12.053 10.509 -6.517 1.00 0.00 C ATOM 1878 CD GLU A 116 12.742 9.581 -7.498 1.00 0.00 C ATOM 1879 OE1 GLU A 116 13.595 8.781 -7.061 1.00 0.00 O ATOM 1880 OE2 GLU A 116 12.428 9.656 -8.705 1.00 0.00 O ATOM 0 H GLU A 116 10.780 10.697 -4.383 1.00 0.00 H new ATOM 0 HA GLU A 116 13.056 12.318 -3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 116 13.862 11.497 -5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.371 10.211 -4.859 1.00 0.00 H new ATOM 0 HG2 GLU A 116 11.234 9.977 -6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 116 11.613 11.345 -7.061 1.00 0.00 H new ATOM 1887 N ARG A 117 10.969 13.309 -6.083 1.00 0.00 N ATOM 1888 CA ARG A 117 10.560 14.461 -6.879 1.00 0.00 C ATOM 1889 C ARG A 117 10.353 15.687 -5.994 1.00 0.00 C ATOM 1890 O ARG A 117 10.421 16.822 -6.464 1.00 0.00 O ATOM 1891 CB ARG A 117 9.272 14.148 -7.643 1.00 0.00 C ATOM 1892 CG ARG A 117 8.683 15.350 -8.361 1.00 0.00 C ATOM 1893 CD ARG A 117 7.799 14.927 -9.524 1.00 0.00 C ATOM 1894 NE ARG A 117 7.535 16.032 -10.442 1.00 0.00 N ATOM 1895 CZ ARG A 117 6.703 15.948 -11.474 1.00 0.00 C ATOM 1896 NH1 ARG A 117 6.056 14.816 -11.717 1.00 0.00 N ATOM 1897 NH2 ARG A 117 6.515 16.997 -12.264 1.00 0.00 N ATOM 0 H ARG A 117 10.368 12.491 -6.184 1.00 0.00 H new ATOM 0 HA ARG A 117 11.355 14.679 -7.593 1.00 0.00 H new ATOM 0 HB2 ARG A 117 9.474 13.363 -8.372 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.533 13.754 -6.946 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.101 15.946 -7.658 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.488 15.987 -8.728 1.00 0.00 H new ATOM 0 HD2 ARG A 117 8.279 14.112 -10.066 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.855 14.542 -9.140 1.00 0.00 H new ATOM 0 HE ARG A 117 8.016 16.917 -10.282 1.00 0.00 H new ATOM 0 HH11 ARG A 117 6.197 14.008 -11.111 1.00 0.00 H new ATOM 0 HH12 ARG A 117 5.418 14.754 -12.510 1.00 0.00 H new ATOM 0 HH21 ARG A 117 7.010 17.870 -12.079 1.00 0.00 H new ATOM 0 HH22 ARG A 117 5.876 16.931 -13.056 1.00 0.00 H new ATOM 1911 N TYR A 118 10.101 15.449 -4.712 1.00 0.00 N ATOM 1912 CA TYR A 118 9.882 16.533 -3.762 1.00 0.00 C ATOM 1913 C TYR A 118 11.143 16.809 -2.949 1.00 0.00 C ATOM 1914 O TYR A 118 11.520 17.962 -2.739 1.00 0.00 O ATOM 1915 CB TYR A 118 8.722 16.191 -2.824 1.00 0.00 C ATOM 1916 CG TYR A 118 7.360 16.387 -3.450 1.00 0.00 C ATOM 1917 CD1 TYR A 118 7.174 16.230 -4.818 1.00 0.00 C ATOM 1918 CD2 TYR A 118 6.259 16.728 -2.674 1.00 0.00 C ATOM 1919 CE1 TYR A 118 5.931 16.408 -5.395 1.00 0.00 C ATOM 1920 CE2 TYR A 118 5.013 16.906 -3.242 1.00 0.00 C ATOM 1921 CZ TYR A 118 4.854 16.746 -4.603 1.00 0.00 C ATOM 1922 OH TYR A 118 3.614 16.924 -5.172 1.00 0.00 O ATOM 0 H TYR A 118 10.043 14.515 -4.307 1.00 0.00 H new ATOM 0 HA TYR A 118 9.632 17.431 -4.327 1.00 0.00 H new ATOM 0 HB2 TYR A 118 8.819 15.154 -2.503 1.00 0.00 H new ATOM 0 HB3 TYR A 118 8.794 16.810 -1.930 1.00 0.00 H new ATOM 0 HD1 TYR A 118 8.015 15.964 -5.441 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.380 16.856 -1.608 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.804 16.283 -6.460 1.00 0.00 H new ATOM 0 HE2 TYR A 118 4.167 17.169 -2.624 1.00 0.00 H new ATOM 0 HH TYR A 118 2.965 17.158 -4.476 1.00 0.00 H new ATOM 1932 N SER A 119 11.792 15.741 -2.495 1.00 0.00 N ATOM 1933 CA SER A 119 13.009 15.867 -1.702 1.00 0.00 C ATOM 1934 C SER A 119 13.985 16.841 -2.356 1.00 0.00 C ATOM 1935 O SER A 119 14.417 17.813 -1.737 1.00 0.00 O ATOM 1936 CB SER A 119 13.675 14.500 -1.531 1.00 0.00 C ATOM 1937 OG SER A 119 13.164 13.823 -0.396 1.00 0.00 O ATOM 0 H SER A 119 11.495 14.780 -2.663 1.00 0.00 H new ATOM 0 HA SER A 119 12.735 16.256 -0.721 1.00 0.00 H new ATOM 0 HB2 SER A 119 13.509 13.897 -2.424 1.00 0.00 H new ATOM 0 HB3 SER A 119 14.753 14.627 -1.428 1.00 0.00 H new ATOM 0 HG SER A 119 12.329 13.369 -0.634 1.00 0.00 H new