USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=26 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 58 THR OG1 : rot -68:sc= 1.25 USER MOD Set 1.2: A 67 HIS : no HD1:sc= -3.13 K(o=-1.9,f=-6.3) USER MOD Set 2.1: A 23 TYR OH : rot -79:sc= 1.02 USER MOD Set 2.2: A 34 MET CE :methyl -125:sc= -4.61! (180deg=-10.2!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.317 F(o=-1.5!,f=-0.32) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -165:sc= 0.0161 (180deg=0.00357) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.28 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+ -113:sc= 0.0372 (180deg=0) USER MOD Single : A 54 SER OG : rot 36:sc= 0.27 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 140:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.806 K(o=-0.81,f=-2.4!) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.235 F(o=-1,f=-0.24) 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 30:sc= -0.851 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.0405 X(o=-0.041,f=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl -138:sc= -0.475 (180deg=-1.51!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N ASN A 14 -3.130 -9.575 -10.344 1.00 0.00 N ATOM 151 CA ASN A 14 -2.849 -8.705 -9.207 1.00 0.00 C ATOM 152 C ASN A 14 -2.384 -7.330 -9.676 1.00 0.00 C ATOM 153 O ASN A 14 -1.189 -7.035 -9.726 1.00 0.00 O ATOM 154 CB ASN A 14 -1.786 -9.337 -8.306 1.00 0.00 C ATOM 155 CG ASN A 14 -1.908 -10.847 -8.239 1.00 0.00 C ATOM 156 OD1 ASN A 14 -1.230 -11.569 -8.969 1.00 0.00 O ATOM 157 ND2 ASN A 14 -2.777 -11.331 -7.358 1.00 0.00 N ATOM 0 HA ASN A 14 -3.771 -8.582 -8.638 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.796 -9.071 -8.676 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.873 -8.923 -7.301 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.903 -12.339 -7.267 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.318 -10.694 -6.773 1.00 0.00 H new ATOM 164 N PRO A 15 -3.348 -6.467 -10.027 1.00 0.00 N ATOM 165 CA PRO A 15 -3.062 -5.108 -10.497 1.00 0.00 C ATOM 166 C PRO A 15 -2.529 -4.211 -9.385 1.00 0.00 C ATOM 167 O PRO A 15 -1.695 -3.337 -9.625 1.00 0.00 O ATOM 168 CB PRO A 15 -4.424 -4.606 -10.982 1.00 0.00 C ATOM 169 CG PRO A 15 -5.418 -5.400 -10.208 1.00 0.00 C ATOM 170 CD PRO A 15 -4.793 -6.751 -9.993 1.00 0.00 C ATOM 0 HA PRO A 15 -2.290 -5.097 -11.266 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.541 -3.538 -10.798 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.543 -4.759 -12.055 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.645 -4.919 -9.256 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.358 -5.487 -10.754 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.095 -7.186 -9.040 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.082 -7.456 -10.772 1.00 0.00 H new ATOM 178 N HIS A 16 -3.014 -4.433 -8.168 1.00 0.00 N ATOM 179 CA HIS A 16 -2.584 -3.645 -7.018 1.00 0.00 C ATOM 180 C HIS A 16 -1.075 -3.750 -6.821 1.00 0.00 C ATOM 181 O HIS A 16 -0.412 -2.764 -6.498 1.00 0.00 O ATOM 182 CB HIS A 16 -3.309 -4.109 -5.755 1.00 0.00 C ATOM 183 CG HIS A 16 -3.661 -5.565 -5.767 1.00 0.00 C ATOM 184 ND1 HIS A 16 -4.726 -6.214 -6.294 1.00 0.00 N flip ATOM 185 CD2 HIS A 16 -2.872 -6.535 -5.186 1.00 0.00 C flip ATOM 186 CE1 HIS A 16 -4.561 -7.551 -6.025 1.00 0.00 C flip ATOM 187 NE2 HIS A 16 -3.435 -7.718 -5.356 1.00 0.00 N flip ATOM 0 H HIS A 16 -3.705 -5.152 -7.952 1.00 0.00 H new ATOM 0 HA HIS A 16 -2.836 -2.602 -7.209 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -2.680 -3.903 -4.889 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -4.221 -3.524 -5.634 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.939 -6.356 -4.672 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.242 -8.338 -6.314 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -3.063 -8.609 -5.027 1.00 0.00 H new ATOM 196 N GLU A 17 -0.539 -4.951 -7.016 1.00 0.00 N ATOM 197 CA GLU A 17 0.891 -5.183 -6.858 1.00 0.00 C ATOM 198 C GLU A 17 1.680 -4.501 -7.971 1.00 0.00 C ATOM 199 O GLU A 17 2.911 -4.474 -7.949 1.00 0.00 O ATOM 200 CB GLU A 17 1.189 -6.684 -6.853 1.00 0.00 C ATOM 201 CG GLU A 17 0.560 -7.426 -5.685 1.00 0.00 C ATOM 202 CD GLU A 17 1.274 -8.725 -5.367 1.00 0.00 C ATOM 203 OE1 GLU A 17 2.488 -8.680 -5.077 1.00 0.00 O ATOM 204 OE2 GLU A 17 0.618 -9.787 -5.406 1.00 0.00 O ATOM 0 H GLU A 17 -1.074 -5.777 -7.283 1.00 0.00 H new ATOM 0 HA GLU A 17 1.199 -4.755 -5.904 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.830 -7.120 -7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.269 -6.831 -6.827 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.571 -6.785 -4.804 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.485 -7.636 -5.913 1.00 0.00 H new ATOM 211 N SER A 18 0.962 -3.950 -8.945 1.00 0.00 N ATOM 212 CA SER A 18 1.594 -3.271 -10.070 1.00 0.00 C ATOM 213 C SER A 18 1.455 -1.757 -9.939 1.00 0.00 C ATOM 214 O SER A 18 2.244 -0.998 -10.501 1.00 0.00 O ATOM 215 CB SER A 18 0.976 -3.739 -11.389 1.00 0.00 C ATOM 216 OG SER A 18 1.547 -3.056 -12.491 1.00 0.00 O ATOM 0 H SER A 18 -0.057 -3.961 -8.977 1.00 0.00 H new ATOM 0 HA SER A 18 2.654 -3.523 -10.065 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.127 -4.812 -11.504 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.101 -3.569 -11.370 1.00 0.00 H new ATOM 0 HG SER A 18 1.136 -3.374 -13.322 1.00 0.00 H new ATOM 222 N LYS A 19 0.444 -1.325 -9.193 1.00 0.00 N ATOM 223 CA LYS A 19 0.199 0.097 -8.986 1.00 0.00 C ATOM 224 C LYS A 19 1.424 0.778 -8.385 1.00 0.00 C ATOM 225 O LYS A 19 2.213 0.167 -7.663 1.00 0.00 O ATOM 226 CB LYS A 19 -1.010 0.299 -8.069 1.00 0.00 C ATOM 227 CG LYS A 19 -2.303 -0.265 -8.634 1.00 0.00 C ATOM 228 CD LYS A 19 -2.803 0.558 -9.810 1.00 0.00 C ATOM 229 CE LYS A 19 -3.658 -0.277 -10.751 1.00 0.00 C ATOM 230 NZ LYS A 19 -2.829 -1.025 -11.737 1.00 0.00 N ATOM 0 H LYS A 19 -0.219 -1.940 -8.721 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.008 0.549 -9.956 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.808 -0.171 -7.107 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.139 1.365 -7.882 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.144 -1.296 -8.951 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.064 -0.286 -7.854 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.384 1.404 -9.443 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.953 0.968 -10.356 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.255 -0.980 -10.171 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.355 0.372 -11.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.435 -1.373 -12.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.100 -0.394 -12.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.372 -1.831 -11.265 1.00 0.00 H new ATOM 244 N PRO A 20 1.590 2.075 -8.688 1.00 0.00 N ATOM 245 CA PRO A 20 2.716 2.867 -8.186 1.00 0.00 C ATOM 246 C PRO A 20 2.619 3.128 -6.687 1.00 0.00 C ATOM 247 O PRO A 20 3.628 3.132 -5.981 1.00 0.00 O ATOM 248 CB PRO A 20 2.602 4.179 -8.966 1.00 0.00 C ATOM 249 CG PRO A 20 1.161 4.278 -9.331 1.00 0.00 C ATOM 250 CD PRO A 20 0.689 2.866 -9.542 1.00 0.00 C ATOM 0 HA PRO A 20 3.668 2.355 -8.324 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.916 5.029 -8.360 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.235 4.169 -9.853 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.591 4.766 -8.540 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.027 4.873 -10.234 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.354 2.743 -9.249 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.763 2.569 -10.588 1.00 0.00 H new ATOM 258 N TRP A 21 1.400 3.346 -6.207 1.00 0.00 N ATOM 259 CA TRP A 21 1.172 3.608 -4.790 1.00 0.00 C ATOM 260 C TRP A 21 1.204 2.314 -3.985 1.00 0.00 C ATOM 261 O TRP A 21 0.903 2.307 -2.791 1.00 0.00 O ATOM 262 CB TRP A 21 -0.170 4.315 -4.591 1.00 0.00 C ATOM 263 CG TRP A 21 -1.266 3.762 -5.451 1.00 0.00 C ATOM 264 CD1 TRP A 21 -1.725 4.281 -6.628 1.00 0.00 C ATOM 265 CD2 TRP A 21 -2.041 2.585 -5.201 1.00 0.00 C ATOM 266 NE1 TRP A 21 -2.738 3.498 -7.124 1.00 0.00 N ATOM 267 CE2 TRP A 21 -2.951 2.450 -6.267 1.00 0.00 C ATOM 268 CE3 TRP A 21 -2.054 1.630 -4.180 1.00 0.00 C ATOM 269 CZ2 TRP A 21 -3.863 1.401 -6.340 1.00 0.00 C ATOM 270 CZ3 TRP A 21 -2.959 0.589 -4.253 1.00 0.00 C ATOM 271 CH2 TRP A 21 -3.853 0.480 -5.327 1.00 0.00 C ATOM 0 H TRP A 21 0.554 3.347 -6.778 1.00 0.00 H new ATOM 0 HA TRP A 21 1.972 4.256 -4.432 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -0.463 4.234 -3.544 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -0.049 5.376 -4.807 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.347 5.176 -7.099 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.249 3.669 -7.990 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.368 1.705 -3.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.554 1.317 -7.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -2.978 -0.154 -3.469 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.547 -0.347 -5.356 1.00 0.00 H new ATOM 282 N TYR A 22 1.570 1.221 -4.646 1.00 0.00 N ATOM 283 CA TYR A 22 1.639 -0.080 -3.991 1.00 0.00 C ATOM 284 C TYR A 22 3.052 -0.366 -3.493 1.00 0.00 C ATOM 285 O TYR A 22 3.998 -0.429 -4.278 1.00 0.00 O ATOM 286 CB TYR A 22 1.193 -1.183 -4.953 1.00 0.00 C ATOM 287 CG TYR A 22 1.248 -2.569 -4.352 1.00 0.00 C ATOM 288 CD1 TYR A 22 2.421 -3.314 -4.380 1.00 0.00 C ATOM 289 CD2 TYR A 22 0.127 -3.135 -3.756 1.00 0.00 C ATOM 290 CE1 TYR A 22 2.475 -4.581 -3.833 1.00 0.00 C ATOM 291 CE2 TYR A 22 0.173 -4.401 -3.205 1.00 0.00 C ATOM 292 CZ TYR A 22 1.349 -5.120 -3.247 1.00 0.00 C ATOM 293 OH TYR A 22 1.400 -6.382 -2.700 1.00 0.00 O ATOM 0 H TYR A 22 1.823 1.210 -5.634 1.00 0.00 H new ATOM 0 HA TYR A 22 0.968 -0.061 -3.132 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.174 -0.978 -5.280 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.824 -1.156 -5.841 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.305 -2.895 -4.837 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.796 -2.575 -3.723 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.394 -5.147 -3.864 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.707 -4.825 -2.744 1.00 0.00 H new ATOM 0 HH TYR A 22 0.524 -6.612 -2.327 1.00 0.00 H new ATOM 303 N TYR A 23 3.187 -0.537 -2.183 1.00 0.00 N ATOM 304 CA TYR A 23 4.485 -0.814 -1.578 1.00 0.00 C ATOM 305 C TYR A 23 4.583 -2.273 -1.144 1.00 0.00 C ATOM 306 O TYR A 23 3.630 -2.838 -0.607 1.00 0.00 O ATOM 307 CB TYR A 23 4.717 0.104 -0.377 1.00 0.00 C ATOM 308 CG TYR A 23 5.093 1.518 -0.759 1.00 0.00 C ATOM 309 CD1 TYR A 23 6.419 1.869 -0.983 1.00 0.00 C ATOM 310 CD2 TYR A 23 4.123 2.503 -0.896 1.00 0.00 C ATOM 311 CE1 TYR A 23 6.767 3.159 -1.331 1.00 0.00 C ATOM 312 CE2 TYR A 23 4.462 3.796 -1.246 1.00 0.00 C ATOM 313 CZ TYR A 23 5.785 4.119 -1.462 1.00 0.00 C ATOM 314 OH TYR A 23 6.127 5.406 -1.809 1.00 0.00 O ATOM 0 H TYR A 23 2.414 -0.489 -1.519 1.00 0.00 H new ATOM 0 HA TYR A 23 5.255 -0.624 -2.326 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.812 0.129 0.230 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.507 -0.318 0.245 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.190 1.120 -0.883 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.086 2.254 -0.726 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.803 3.415 -1.500 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.695 4.549 -1.350 1.00 0.00 H new ATOM 0 HH TYR A 23 6.468 5.878 -1.021 1.00 0.00 H new ATOM 324 N ASP A 24 5.743 -2.877 -1.379 1.00 0.00 N ATOM 325 CA ASP A 24 5.968 -4.270 -1.011 1.00 0.00 C ATOM 326 C ASP A 24 7.116 -4.389 -0.013 1.00 0.00 C ATOM 327 O ASP A 24 7.076 -5.217 0.897 1.00 0.00 O ATOM 328 CB ASP A 24 6.270 -5.106 -2.256 1.00 0.00 C ATOM 329 CG ASP A 24 6.931 -6.428 -1.919 1.00 0.00 C ATOM 330 OD1 ASP A 24 6.238 -7.317 -1.382 1.00 0.00 O ATOM 331 OD2 ASP A 24 8.141 -6.573 -2.192 1.00 0.00 O ATOM 0 H ASP A 24 6.542 -2.424 -1.823 1.00 0.00 H new ATOM 0 HA ASP A 24 5.060 -4.648 -0.541 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.343 -5.294 -2.797 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.919 -4.538 -2.923 1.00 0.00 H new ATOM 336 N ARG A 25 8.137 -3.557 -0.190 1.00 0.00 N ATOM 337 CA ARG A 25 9.296 -3.571 0.694 1.00 0.00 C ATOM 338 C ARG A 25 9.316 -2.332 1.584 1.00 0.00 C ATOM 339 O ARG A 25 10.381 -1.805 1.909 1.00 0.00 O ATOM 340 CB ARG A 25 10.587 -3.646 -0.124 1.00 0.00 C ATOM 341 CG ARG A 25 10.552 -4.696 -1.222 1.00 0.00 C ATOM 342 CD ARG A 25 10.907 -6.074 -0.687 1.00 0.00 C ATOM 343 NE ARG A 25 9.729 -6.803 -0.225 1.00 0.00 N ATOM 344 CZ ARG A 25 9.744 -8.087 0.112 1.00 0.00 C ATOM 345 NH1 ARG A 25 10.871 -8.782 0.040 1.00 0.00 N ATOM 346 NH2 ARG A 25 8.630 -8.680 0.523 1.00 0.00 N ATOM 0 H ARG A 25 8.185 -2.865 -0.938 1.00 0.00 H new ATOM 0 HA ARG A 25 9.226 -4.453 1.331 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.781 -2.671 -0.571 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.420 -3.861 0.546 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.558 -4.723 -1.669 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.250 -4.421 -2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.405 -6.648 -1.468 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.615 -5.972 0.135 1.00 0.00 H new ATOM 0 HE ARG A 25 8.846 -6.298 -0.157 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.730 -8.330 -0.275 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.879 -9.768 0.300 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.761 -8.149 0.580 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.643 -9.667 0.782 1.00 0.00 H new ATOM 360 N LEU A 26 8.133 -1.872 1.974 1.00 0.00 N ATOM 361 CA LEU A 26 8.014 -0.694 2.827 1.00 0.00 C ATOM 362 C LEU A 26 7.635 -1.088 4.251 1.00 0.00 C ATOM 363 O LEU A 26 6.951 -2.088 4.467 1.00 0.00 O ATOM 364 CB LEU A 26 6.970 0.269 2.257 1.00 0.00 C ATOM 365 CG LEU A 26 6.906 1.651 2.908 1.00 0.00 C ATOM 366 CD1 LEU A 26 8.147 2.460 2.566 1.00 0.00 C ATOM 367 CD2 LEU A 26 5.648 2.388 2.471 1.00 0.00 C ATOM 0 H LEU A 26 7.243 -2.296 1.714 1.00 0.00 H new ATOM 0 HA LEU A 26 8.983 -0.196 2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.168 0.399 1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.989 -0.197 2.344 1.00 0.00 H new ATOM 0 HG LEU A 26 6.870 1.521 3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.084 3.440 3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.033 1.939 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.216 2.581 1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.619 3.370 2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.654 2.507 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.769 1.816 2.768 1.00 0.00 H new ATOM 379 N SER A 27 8.085 -0.295 5.218 1.00 0.00 N ATOM 380 CA SER A 27 7.794 -0.562 6.622 1.00 0.00 C ATOM 381 C SER A 27 7.380 0.717 7.344 1.00 0.00 C ATOM 382 O SER A 27 7.800 1.814 6.977 1.00 0.00 O ATOM 383 CB SER A 27 9.016 -1.176 7.309 1.00 0.00 C ATOM 384 OG SER A 27 9.351 -2.426 6.732 1.00 0.00 O ATOM 0 H SER A 27 8.652 0.537 5.055 1.00 0.00 H new ATOM 0 HA SER A 27 6.966 -1.269 6.668 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.863 -0.495 7.227 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.813 -1.305 8.372 1.00 0.00 H new ATOM 0 HG SER A 27 10.136 -2.797 7.187 1.00 0.00 H new ATOM 390 N ARG A 28 6.552 0.566 8.373 1.00 0.00 N ATOM 391 CA ARG A 28 6.079 1.707 9.146 1.00 0.00 C ATOM 392 C ARG A 28 7.191 2.735 9.335 1.00 0.00 C ATOM 393 O ARG A 28 7.001 3.924 9.080 1.00 0.00 O ATOM 394 CB ARG A 28 5.558 1.247 10.509 1.00 0.00 C ATOM 395 CG ARG A 28 4.694 2.281 11.212 1.00 0.00 C ATOM 396 CD ARG A 28 4.316 1.830 12.614 1.00 0.00 C ATOM 397 NE ARG A 28 5.491 1.580 13.444 1.00 0.00 N ATOM 398 CZ ARG A 28 6.152 0.427 13.454 1.00 0.00 C ATOM 399 NH1 ARG A 28 5.754 -0.575 12.683 1.00 0.00 N ATOM 400 NH2 ARG A 28 7.212 0.277 14.237 1.00 0.00 N ATOM 0 H ARG A 28 6.195 -0.335 8.690 1.00 0.00 H new ATOM 0 HA ARG A 28 5.265 2.175 8.593 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.980 0.332 10.378 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.406 1.000 11.148 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.230 3.229 11.265 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.790 2.458 10.629 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.695 2.592 13.085 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.715 0.922 12.553 1.00 0.00 H new ATOM 0 HE ARG A 28 5.823 2.331 14.049 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.939 -0.462 12.080 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.263 -1.459 12.692 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.520 1.047 14.832 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.719 -0.608 14.245 1.00 0.00 H new ATOM 414 N GLY A 29 8.352 2.267 9.784 1.00 0.00 N ATOM 415 CA GLY A 29 9.477 3.158 10.000 1.00 0.00 C ATOM 416 C GLY A 29 9.526 4.286 8.988 1.00 0.00 C ATOM 417 O GLY A 29 9.678 5.451 9.355 1.00 0.00 O ATOM 0 H GLY A 29 8.533 1.287 10.002 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.417 3.577 11.004 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.404 2.587 9.948 1.00 0.00 H new ATOM 421 N GLU A 30 9.398 3.939 7.711 1.00 0.00 N ATOM 422 CA GLU A 30 9.431 4.932 6.643 1.00 0.00 C ATOM 423 C GLU A 30 8.019 5.326 6.222 1.00 0.00 C ATOM 424 O GLU A 30 7.718 6.506 6.047 1.00 0.00 O ATOM 425 CB GLU A 30 10.203 4.391 5.438 1.00 0.00 C ATOM 426 CG GLU A 30 11.641 4.016 5.754 1.00 0.00 C ATOM 427 CD GLU A 30 12.396 3.520 4.536 1.00 0.00 C ATOM 428 OE1 GLU A 30 11.924 2.557 3.896 1.00 0.00 O ATOM 429 OE2 GLU A 30 13.459 4.096 4.222 1.00 0.00 O ATOM 0 H GLU A 30 9.271 2.979 7.391 1.00 0.00 H new ATOM 0 HA GLU A 30 9.938 5.819 7.022 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.685 3.514 5.049 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.198 5.141 4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.156 4.883 6.168 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.650 3.243 6.522 1.00 0.00 H new ATOM 436 N ALA A 31 7.156 4.327 6.060 1.00 0.00 N ATOM 437 CA ALA A 31 5.775 4.568 5.661 1.00 0.00 C ATOM 438 C ALA A 31 5.238 5.850 6.288 1.00 0.00 C ATOM 439 O ALA A 31 4.921 6.810 5.586 1.00 0.00 O ATOM 440 CB ALA A 31 4.900 3.384 6.045 1.00 0.00 C ATOM 0 H ALA A 31 7.390 3.344 6.199 1.00 0.00 H new ATOM 0 HA ALA A 31 5.752 4.687 4.578 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.871 3.578 5.741 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.263 2.486 5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.938 3.239 7.125 1.00 0.00 H new ATOM 446 N GLU A 32 5.138 5.858 7.614 1.00 0.00 N ATOM 447 CA GLU A 32 4.637 7.023 8.335 1.00 0.00 C ATOM 448 C GLU A 32 5.407 8.280 7.939 1.00 0.00 C ATOM 449 O GLU A 32 4.814 9.293 7.567 1.00 0.00 O ATOM 450 CB GLU A 32 4.743 6.800 9.845 1.00 0.00 C ATOM 451 CG GLU A 32 3.808 5.724 10.368 1.00 0.00 C ATOM 452 CD GLU A 32 4.016 5.437 11.843 1.00 0.00 C ATOM 453 OE1 GLU A 32 5.171 5.533 12.308 1.00 0.00 O ATOM 454 OE2 GLU A 32 3.025 5.116 12.531 1.00 0.00 O ATOM 0 H GLU A 32 5.397 5.072 8.210 1.00 0.00 H new ATOM 0 HA GLU A 32 3.589 7.161 8.069 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.769 6.529 10.093 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.528 7.737 10.358 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.776 6.034 10.204 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.960 4.807 9.798 1.00 0.00 H new ATOM 461 N ASP A 33 6.731 8.206 8.023 1.00 0.00 N ATOM 462 CA ASP A 33 7.583 9.337 7.675 1.00 0.00 C ATOM 463 C ASP A 33 7.164 9.941 6.338 1.00 0.00 C ATOM 464 O ASP A 33 6.921 11.143 6.238 1.00 0.00 O ATOM 465 CB ASP A 33 9.048 8.900 7.614 1.00 0.00 C ATOM 466 CG ASP A 33 10.006 10.057 7.816 1.00 0.00 C ATOM 467 OD1 ASP A 33 9.636 11.017 8.523 1.00 0.00 O ATOM 468 OD2 ASP A 33 11.126 10.003 7.266 1.00 0.00 O ATOM 0 H ASP A 33 7.237 7.375 8.329 1.00 0.00 H new ATOM 0 HA ASP A 33 7.470 10.097 8.448 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.231 8.143 8.377 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.245 8.433 6.649 1.00 0.00 H new ATOM 473 N MET A 34 7.083 9.099 5.313 1.00 0.00 N ATOM 474 CA MET A 34 6.693 9.551 3.982 1.00 0.00 C ATOM 475 C MET A 34 5.549 10.556 4.063 1.00 0.00 C ATOM 476 O MET A 34 5.696 11.712 3.664 1.00 0.00 O ATOM 477 CB MET A 34 6.280 8.359 3.117 1.00 0.00 C ATOM 478 CG MET A 34 7.458 7.589 2.540 1.00 0.00 C ATOM 479 SD MET A 34 7.059 6.775 0.982 1.00 0.00 S ATOM 480 CE MET A 34 5.754 5.665 1.504 1.00 0.00 C ATOM 0 H MET A 34 7.282 8.101 5.378 1.00 0.00 H new ATOM 0 HA MET A 34 7.552 10.042 3.525 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.671 7.681 3.715 1.00 0.00 H new ATOM 0 HB3 MET A 34 5.653 8.714 2.299 1.00 0.00 H new ATOM 0 HG2 MET A 34 8.293 8.272 2.385 1.00 0.00 H new ATOM 0 HG3 MET A 34 7.787 6.842 3.262 1.00 0.00 H new ATOM 0 HE1 MET A 34 6.011 4.644 1.223 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.637 5.725 2.586 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.819 5.950 1.021 1.00 0.00 H new ATOM 490 N LEU A 35 4.410 10.109 4.580 1.00 0.00 N ATOM 491 CA LEU A 35 3.240 10.971 4.713 1.00 0.00 C ATOM 492 C LEU A 35 3.614 12.301 5.358 1.00 0.00 C ATOM 493 O LEU A 35 3.149 13.359 4.936 1.00 0.00 O ATOM 494 CB LEU A 35 2.161 10.274 5.543 1.00 0.00 C ATOM 495 CG LEU A 35 1.176 9.400 4.765 1.00 0.00 C ATOM 496 CD1 LEU A 35 0.383 10.240 3.776 1.00 0.00 C ATOM 497 CD2 LEU A 35 1.911 8.278 4.046 1.00 0.00 C ATOM 0 H LEU A 35 4.271 9.155 4.914 1.00 0.00 H new ATOM 0 HA LEU A 35 2.850 11.170 3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.652 9.654 6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.595 11.036 6.079 1.00 0.00 H new ATOM 0 HG LEU A 35 0.478 8.954 5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.313 9.601 3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.174 11.007 4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.066 10.715 3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.194 7.666 3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.633 8.704 3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.433 7.659 4.776 1.00 0.00 H new ATOM 509 N MET A 36 4.459 12.240 6.382 1.00 0.00 N ATOM 510 CA MET A 36 4.898 13.441 7.084 1.00 0.00 C ATOM 511 C MET A 36 5.717 14.339 6.163 1.00 0.00 C ATOM 512 O MET A 36 5.800 15.549 6.373 1.00 0.00 O ATOM 513 CB MET A 36 5.724 13.065 8.315 1.00 0.00 C ATOM 514 CG MET A 36 5.042 12.049 9.217 1.00 0.00 C ATOM 515 SD MET A 36 5.625 12.131 10.921 1.00 0.00 S ATOM 516 CE MET A 36 4.171 11.572 11.805 1.00 0.00 C ATOM 0 H MET A 36 4.853 11.372 6.744 1.00 0.00 H new ATOM 0 HA MET A 36 4.012 13.989 7.404 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.684 12.663 7.990 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.934 13.966 8.891 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.965 12.216 9.197 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.216 11.047 8.825 1.00 0.00 H new ATOM 0 HE1 MET A 36 4.375 11.568 12.876 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.338 12.244 11.597 1.00 0.00 H new ATOM 0 HE3 MET A 36 3.914 10.564 11.481 1.00 0.00 H new ATOM 526 N ARG A 37 6.321 13.740 5.142 1.00 0.00 N ATOM 527 CA ARG A 37 7.135 14.486 4.190 1.00 0.00 C ATOM 528 C ARG A 37 6.258 15.176 3.149 1.00 0.00 C ATOM 529 O ARG A 37 6.648 16.190 2.569 1.00 0.00 O ATOM 530 CB ARG A 37 8.130 13.554 3.497 1.00 0.00 C ATOM 531 CG ARG A 37 9.218 13.029 4.420 1.00 0.00 C ATOM 532 CD ARG A 37 10.115 12.027 3.711 1.00 0.00 C ATOM 533 NE ARG A 37 11.211 12.680 3.000 1.00 0.00 N ATOM 534 CZ ARG A 37 12.251 12.027 2.494 1.00 0.00 C ATOM 535 NH1 ARG A 37 12.335 10.709 2.619 1.00 0.00 N ATOM 536 NH2 ARG A 37 13.208 12.691 1.860 1.00 0.00 N ATOM 0 H ARG A 37 6.262 12.739 4.953 1.00 0.00 H new ATOM 0 HA ARG A 37 7.685 15.249 4.740 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.588 12.710 3.071 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.595 14.086 2.667 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.819 13.861 4.786 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.762 12.558 5.291 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.522 11.326 4.440 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.522 11.445 3.006 1.00 0.00 H new ATOM 0 HE ARG A 37 11.176 13.693 2.886 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.600 10.195 3.105 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.135 10.210 2.230 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.146 13.704 1.761 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.006 12.188 1.472 1.00 0.00 H new ATOM 550 N ILE A 38 5.074 14.619 2.917 1.00 0.00 N ATOM 551 CA ILE A 38 4.143 15.181 1.947 1.00 0.00 C ATOM 552 C ILE A 38 3.397 16.377 2.530 1.00 0.00 C ATOM 553 O ILE A 38 2.593 16.248 3.453 1.00 0.00 O ATOM 554 CB ILE A 38 3.120 14.131 1.475 1.00 0.00 C ATOM 555 CG1 ILE A 38 3.777 12.753 1.379 1.00 0.00 C ATOM 556 CG2 ILE A 38 2.526 14.536 0.134 1.00 0.00 C ATOM 557 CD1 ILE A 38 5.035 12.741 0.539 1.00 0.00 C ATOM 0 H ILE A 38 4.737 13.779 3.388 1.00 0.00 H new ATOM 0 HA ILE A 38 4.736 15.508 1.093 1.00 0.00 H new ATOM 0 HB ILE A 38 2.313 14.077 2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.017 12.403 2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.062 12.047 0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.805 13.784 -0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.026 15.499 0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.321 14.615 -0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.447 11.732 0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.798 13.060 -0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.768 13.422 0.972 1.00 0.00 H new ATOM 569 N PRO A 39 3.666 17.569 1.977 1.00 0.00 N ATOM 570 CA PRO A 39 3.029 18.811 2.425 1.00 0.00 C ATOM 571 C PRO A 39 1.549 18.867 2.061 1.00 0.00 C ATOM 572 O PRO A 39 0.875 19.865 2.316 1.00 0.00 O ATOM 573 CB PRO A 39 3.805 19.897 1.677 1.00 0.00 C ATOM 574 CG PRO A 39 4.336 19.216 0.463 1.00 0.00 C ATOM 575 CD PRO A 39 4.614 17.796 0.873 1.00 0.00 C ATOM 0 HA PRO A 39 3.059 18.917 3.509 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.158 20.733 1.411 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.612 20.300 2.289 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.614 19.252 -0.352 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.243 19.704 0.107 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.448 17.100 0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.647 17.666 1.197 1.00 0.00 H new ATOM 583 N ARG A 40 1.050 17.789 1.464 1.00 0.00 N ATOM 584 CA ARG A 40 -0.350 17.717 1.064 1.00 0.00 C ATOM 585 C ARG A 40 -1.209 17.152 2.192 1.00 0.00 C ATOM 586 O ARG A 40 -0.755 16.311 2.969 1.00 0.00 O ATOM 587 CB ARG A 40 -0.501 16.852 -0.189 1.00 0.00 C ATOM 588 CG ARG A 40 0.243 17.396 -1.397 1.00 0.00 C ATOM 589 CD ARG A 40 -0.591 18.422 -2.149 1.00 0.00 C ATOM 590 NE ARG A 40 0.241 19.406 -2.837 1.00 0.00 N ATOM 591 CZ ARG A 40 -0.248 20.372 -3.607 1.00 0.00 C ATOM 592 NH1 ARG A 40 -1.557 20.484 -3.785 1.00 0.00 N ATOM 593 NH2 ARG A 40 0.574 21.229 -4.200 1.00 0.00 N ATOM 0 H ARG A 40 1.594 16.954 1.247 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.691 18.728 0.842 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.139 15.847 0.028 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.559 16.764 -0.434 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.179 17.852 -1.074 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.502 16.575 -2.066 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.225 17.912 -2.875 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.254 18.933 -1.450 1.00 0.00 H new ATOM 0 HE ARG A 40 1.253 19.348 -2.720 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.192 19.828 -3.330 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.930 21.227 -4.377 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.582 21.146 -4.065 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.198 21.970 -4.791 1.00 0.00 H new ATOM 607 N ASP A 41 -2.449 17.619 2.275 1.00 0.00 N ATOM 608 CA ASP A 41 -3.372 17.160 3.307 1.00 0.00 C ATOM 609 C ASP A 41 -4.399 16.194 2.726 1.00 0.00 C ATOM 610 O ASP A 41 -5.554 16.558 2.506 1.00 0.00 O ATOM 611 CB ASP A 41 -4.081 18.351 3.953 1.00 0.00 C ATOM 612 CG ASP A 41 -4.368 19.462 2.962 1.00 0.00 C ATOM 613 OD1 ASP A 41 -3.409 20.143 2.540 1.00 0.00 O ATOM 614 OD2 ASP A 41 -5.550 19.649 2.607 1.00 0.00 O ATOM 0 H ASP A 41 -2.839 18.315 1.640 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.796 16.634 4.068 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.017 18.015 4.398 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.465 18.741 4.763 1.00 0.00 H new ATOM 619 N GLY A 42 -3.971 14.960 2.479 1.00 0.00 N ATOM 620 CA GLY A 42 -4.866 13.961 1.925 1.00 0.00 C ATOM 621 C GLY A 42 -4.124 12.861 1.190 1.00 0.00 C ATOM 622 O GLY A 42 -4.618 12.325 0.200 1.00 0.00 O ATOM 0 H GLY A 42 -3.020 14.634 2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.457 13.522 2.728 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.565 14.443 1.241 1.00 0.00 H new ATOM 626 N ALA A 43 -2.933 12.527 1.676 1.00 0.00 N ATOM 627 CA ALA A 43 -2.122 11.484 1.060 1.00 0.00 C ATOM 628 C ALA A 43 -2.484 10.109 1.610 1.00 0.00 C ATOM 629 O ALA A 43 -3.019 9.992 2.713 1.00 0.00 O ATOM 630 CB ALA A 43 -0.643 11.768 1.277 1.00 0.00 C ATOM 0 H ALA A 43 -2.508 12.964 2.494 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.328 11.484 -0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.049 10.981 0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.387 12.728 0.829 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.431 11.798 2.346 1.00 0.00 H new ATOM 636 N PHE A 44 -2.192 9.070 0.834 1.00 0.00 N ATOM 637 CA PHE A 44 -2.489 7.703 1.244 1.00 0.00 C ATOM 638 C PHE A 44 -1.534 6.716 0.577 1.00 0.00 C ATOM 639 O PHE A 44 -1.158 6.886 -0.583 1.00 0.00 O ATOM 640 CB PHE A 44 -3.935 7.346 0.894 1.00 0.00 C ATOM 641 CG PHE A 44 -4.112 6.883 -0.524 1.00 0.00 C ATOM 642 CD1 PHE A 44 -3.978 5.543 -0.851 1.00 0.00 C ATOM 643 CD2 PHE A 44 -4.411 7.788 -1.530 1.00 0.00 C ATOM 644 CE1 PHE A 44 -4.141 5.114 -2.155 1.00 0.00 C ATOM 645 CE2 PHE A 44 -4.576 7.364 -2.835 1.00 0.00 C ATOM 646 CZ PHE A 44 -4.439 6.026 -3.148 1.00 0.00 C ATOM 0 H PHE A 44 -1.750 9.149 -0.082 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.357 7.637 2.324 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.281 6.563 1.569 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.567 8.217 1.065 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.744 4.826 -0.078 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.516 8.836 -1.292 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.035 4.067 -2.397 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.812 8.079 -3.610 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.565 5.693 -4.168 1.00 0.00 H new ATOM 656 N LEU A 45 -1.145 5.686 1.320 1.00 0.00 N ATOM 657 CA LEU A 45 -0.233 4.671 0.803 1.00 0.00 C ATOM 658 C LEU A 45 -0.616 3.285 1.312 1.00 0.00 C ATOM 659 O LEU A 45 -1.000 3.123 2.470 1.00 0.00 O ATOM 660 CB LEU A 45 1.206 4.996 1.207 1.00 0.00 C ATOM 661 CG LEU A 45 1.623 4.562 2.613 1.00 0.00 C ATOM 662 CD1 LEU A 45 1.895 3.066 2.650 1.00 0.00 C ATOM 663 CD2 LEU A 45 2.847 5.341 3.071 1.00 0.00 C ATOM 0 H LEU A 45 -1.447 5.531 2.282 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.307 4.672 -0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.879 4.526 0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.351 6.073 1.123 1.00 0.00 H new ATOM 0 HG LEU A 45 0.803 4.779 3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.190 2.775 3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.992 2.525 2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.697 2.825 1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.129 5.019 4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.673 5.157 2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.617 6.406 3.084 1.00 0.00 H new ATOM 675 N ILE A 46 -0.505 2.289 0.440 1.00 0.00 N ATOM 676 CA ILE A 46 -0.836 0.916 0.803 1.00 0.00 C ATOM 677 C ILE A 46 0.404 0.028 0.784 1.00 0.00 C ATOM 678 O ILE A 46 1.055 -0.123 -0.250 1.00 0.00 O ATOM 679 CB ILE A 46 -1.893 0.322 -0.146 1.00 0.00 C ATOM 680 CG1 ILE A 46 -3.174 1.159 -0.106 1.00 0.00 C ATOM 681 CG2 ILE A 46 -2.187 -1.123 0.226 1.00 0.00 C ATOM 682 CD1 ILE A 46 -4.223 0.707 -1.098 1.00 0.00 C ATOM 0 H ILE A 46 -0.189 2.407 -0.523 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.243 0.946 1.814 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.499 0.342 -1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.594 1.117 0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.924 2.201 -0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.936 -1.529 -0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.272 -1.711 0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.564 -1.166 1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.103 1.345 -1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.821 0.775 -2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.502 -0.325 -0.887 1.00 0.00 H new ATOM 694 N ARG A 47 0.723 -0.558 1.933 1.00 0.00 N ATOM 695 CA ARG A 47 1.884 -1.432 2.049 1.00 0.00 C ATOM 696 C ARG A 47 1.481 -2.804 2.580 1.00 0.00 C ATOM 697 O ARG A 47 0.420 -2.961 3.186 1.00 0.00 O ATOM 698 CB ARG A 47 2.931 -0.804 2.970 1.00 0.00 C ATOM 699 CG ARG A 47 2.435 -0.572 4.388 1.00 0.00 C ATOM 700 CD ARG A 47 3.527 0.008 5.273 1.00 0.00 C ATOM 701 NE ARG A 47 4.373 -1.032 5.852 1.00 0.00 N ATOM 702 CZ ARG A 47 4.002 -1.797 6.872 1.00 0.00 C ATOM 703 NH1 ARG A 47 2.807 -1.640 7.424 1.00 0.00 N ATOM 704 NH2 ARG A 47 4.828 -2.723 7.343 1.00 0.00 N ATOM 0 H ARG A 47 0.194 -0.443 2.797 1.00 0.00 H new ATOM 0 HA ARG A 47 2.313 -1.558 1.055 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.808 -1.450 3.002 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.251 0.148 2.546 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.582 0.106 4.370 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.085 -1.514 4.811 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.142 0.692 4.688 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.073 0.593 6.073 1.00 0.00 H new ATOM 0 HE ARG A 47 5.299 -1.179 5.451 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.169 -0.930 7.065 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.526 -2.230 8.207 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.748 -2.847 6.921 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.542 -3.310 8.127 1.00 0.00 H new ATOM 718 N LYS A 48 2.333 -3.796 2.348 1.00 0.00 N ATOM 719 CA LYS A 48 2.068 -5.156 2.802 1.00 0.00 C ATOM 720 C LYS A 48 2.975 -5.526 3.972 1.00 0.00 C ATOM 721 O LYS A 48 4.100 -5.035 4.076 1.00 0.00 O ATOM 722 CB LYS A 48 2.268 -6.148 1.654 1.00 0.00 C ATOM 723 CG LYS A 48 2.064 -7.597 2.060 1.00 0.00 C ATOM 724 CD LYS A 48 2.161 -8.530 0.865 1.00 0.00 C ATOM 725 CE LYS A 48 3.605 -8.897 0.560 1.00 0.00 C ATOM 726 NZ LYS A 48 3.770 -9.385 -0.837 1.00 0.00 N ATOM 0 H LYS A 48 3.215 -3.684 1.847 1.00 0.00 H new ATOM 0 HA LYS A 48 1.032 -5.204 3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.575 -5.904 0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.275 -6.030 1.254 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.812 -7.876 2.802 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.088 -7.710 2.532 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.588 -9.436 1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.714 -8.053 -0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.242 -8.027 0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.939 -9.667 1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.027 -10.393 -0.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.877 -9.262 -1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.522 -8.842 -1.308 1.00 0.00 H new ATOM 740 N ARG A 49 2.480 -6.394 4.848 1.00 0.00 N ATOM 741 CA ARG A 49 3.247 -6.829 6.009 1.00 0.00 C ATOM 742 C ARG A 49 3.240 -8.350 6.126 1.00 0.00 C ATOM 743 O ARG A 49 2.194 -8.960 6.345 1.00 0.00 O ATOM 744 CB ARG A 49 2.678 -6.206 7.285 1.00 0.00 C ATOM 745 CG ARG A 49 2.424 -4.711 7.172 1.00 0.00 C ATOM 746 CD ARG A 49 1.019 -4.422 6.666 1.00 0.00 C ATOM 747 NE ARG A 49 0.000 -5.109 7.454 1.00 0.00 N ATOM 748 CZ ARG A 49 -0.314 -4.774 8.701 1.00 0.00 C ATOM 749 NH1 ARG A 49 0.308 -3.767 9.297 1.00 0.00 N ATOM 750 NH2 ARG A 49 -1.253 -5.448 9.353 1.00 0.00 N ATOM 0 H ARG A 49 1.551 -6.810 4.776 1.00 0.00 H new ATOM 0 HA ARG A 49 4.277 -6.497 5.878 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.743 -6.707 7.538 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.370 -6.387 8.108 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.565 -4.242 8.146 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.154 -4.267 6.496 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.837 -3.348 6.696 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.939 -4.730 5.623 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.498 -5.888 7.024 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.030 -3.247 8.798 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.065 -3.512 10.254 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.734 -6.223 8.897 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.494 -5.191 10.310 1.00 0.00 H new ATOM 812 N SER A 54 -3.220 -9.852 5.814 1.00 0.00 N ATOM 813 CA SER A 54 -3.785 -8.588 6.274 1.00 0.00 C ATOM 814 C SER A 54 -2.855 -7.425 5.941 1.00 0.00 C ATOM 815 O SER A 54 -1.694 -7.407 6.349 1.00 0.00 O ATOM 816 CB SER A 54 -4.039 -8.637 7.782 1.00 0.00 C ATOM 817 OG SER A 54 -2.844 -8.917 8.492 1.00 0.00 O ATOM 0 HA SER A 54 -4.733 -8.433 5.758 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.449 -7.684 8.116 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.785 -9.400 8.004 1.00 0.00 H new ATOM 0 HG SER A 54 -2.089 -8.477 8.049 1.00 0.00 H new ATOM 823 N TYR A 55 -3.375 -6.455 5.198 1.00 0.00 N ATOM 824 CA TYR A 55 -2.593 -5.289 4.807 1.00 0.00 C ATOM 825 C TYR A 55 -2.976 -4.071 5.642 1.00 0.00 C ATOM 826 O TYR A 55 -3.944 -4.104 6.401 1.00 0.00 O ATOM 827 CB TYR A 55 -2.796 -4.986 3.321 1.00 0.00 C ATOM 828 CG TYR A 55 -2.525 -6.170 2.420 1.00 0.00 C ATOM 829 CD1 TYR A 55 -3.429 -7.221 2.330 1.00 0.00 C ATOM 830 CD2 TYR A 55 -1.365 -6.236 1.657 1.00 0.00 C ATOM 831 CE1 TYR A 55 -3.185 -8.305 1.509 1.00 0.00 C ATOM 832 CE2 TYR A 55 -1.114 -7.315 0.832 1.00 0.00 C ATOM 833 CZ TYR A 55 -2.027 -8.347 0.762 1.00 0.00 C ATOM 834 OH TYR A 55 -1.781 -9.424 -0.059 1.00 0.00 O ATOM 0 H TYR A 55 -4.335 -6.453 4.854 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.541 -5.513 4.985 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.820 -4.647 3.164 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.141 -4.164 3.033 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.338 -7.190 2.912 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.648 -5.430 1.710 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.897 -9.115 1.453 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.208 -7.351 0.245 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.923 -9.298 -0.516 1.00 0.00 H new ATOM 844 N ALA A 56 -2.209 -2.996 5.495 1.00 0.00 N ATOM 845 CA ALA A 56 -2.468 -1.765 6.233 1.00 0.00 C ATOM 846 C ALA A 56 -2.195 -0.539 5.369 1.00 0.00 C ATOM 847 O ALA A 56 -1.186 -0.476 4.666 1.00 0.00 O ATOM 848 CB ALA A 56 -1.624 -1.721 7.498 1.00 0.00 C ATOM 0 H ALA A 56 -1.403 -2.952 4.872 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.522 -1.752 6.512 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.827 -0.797 8.039 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.871 -2.574 8.130 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.568 -1.761 7.232 1.00 0.00 H new ATOM 854 N ILE A 57 -3.100 0.432 5.425 1.00 0.00 N ATOM 855 CA ILE A 57 -2.956 1.656 4.647 1.00 0.00 C ATOM 856 C ILE A 57 -2.633 2.844 5.547 1.00 0.00 C ATOM 857 O ILE A 57 -3.374 3.150 6.481 1.00 0.00 O ATOM 858 CB ILE A 57 -4.233 1.967 3.844 1.00 0.00 C ATOM 859 CG1 ILE A 57 -3.990 3.140 2.893 1.00 0.00 C ATOM 860 CG2 ILE A 57 -5.389 2.272 4.785 1.00 0.00 C ATOM 861 CD1 ILE A 57 -5.227 3.570 2.136 1.00 0.00 C ATOM 0 H ILE A 57 -3.941 0.395 6.001 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.131 1.493 3.953 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.494 1.091 3.251 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.610 3.987 3.464 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.214 2.864 2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.284 2.490 4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.574 1.410 5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.138 3.135 5.402 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.981 4.406 1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.596 2.737 1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.997 3.878 2.843 1.00 0.00 H new ATOM 873 N THR A 58 -1.520 3.513 5.259 1.00 0.00 N ATOM 874 CA THR A 58 -1.099 4.668 6.041 1.00 0.00 C ATOM 875 C THR A 58 -1.394 5.969 5.303 1.00 0.00 C ATOM 876 O THR A 58 -1.055 6.120 4.129 1.00 0.00 O ATOM 877 CB THR A 58 0.405 4.607 6.367 1.00 0.00 C ATOM 878 OG1 THR A 58 0.745 3.309 6.868 1.00 0.00 O ATOM 879 CG2 THR A 58 0.780 5.666 7.393 1.00 0.00 C ATOM 0 H THR A 58 -0.894 3.274 4.490 1.00 0.00 H new ATOM 0 HA THR A 58 -1.667 4.644 6.971 1.00 0.00 H new ATOM 0 HB THR A 58 0.961 4.800 5.450 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.334 3.180 7.748 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.847 5.603 7.607 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.547 6.655 6.997 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.215 5.500 8.310 1.00 0.00 H new ATOM 887 N PHE A 59 -2.028 6.908 5.999 1.00 0.00 N ATOM 888 CA PHE A 59 -2.369 8.197 5.409 1.00 0.00 C ATOM 889 C PHE A 59 -2.010 9.340 6.354 1.00 0.00 C ATOM 890 O PHE A 59 -1.465 9.117 7.435 1.00 0.00 O ATOM 891 CB PHE A 59 -3.861 8.248 5.072 1.00 0.00 C ATOM 892 CG PHE A 59 -4.719 7.472 6.030 1.00 0.00 C ATOM 893 CD1 PHE A 59 -4.732 6.087 6.003 1.00 0.00 C ATOM 894 CD2 PHE A 59 -5.512 8.128 6.957 1.00 0.00 C ATOM 895 CE1 PHE A 59 -5.521 5.371 6.883 1.00 0.00 C ATOM 896 CE2 PHE A 59 -6.303 7.417 7.840 1.00 0.00 C ATOM 897 CZ PHE A 59 -6.307 6.036 7.803 1.00 0.00 C ATOM 0 H PHE A 59 -2.316 6.800 6.972 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.792 8.313 4.492 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.188 9.288 5.064 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.011 7.859 4.065 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.119 5.561 5.286 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.512 9.207 6.990 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.523 4.291 6.851 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.917 7.940 8.558 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.923 5.478 8.492 1.00 0.00 H new ATOM 907 N ARG A 60 -2.319 10.563 5.937 1.00 0.00 N ATOM 908 CA ARG A 60 -2.027 11.741 6.745 1.00 0.00 C ATOM 909 C ARG A 60 -3.303 12.521 7.049 1.00 0.00 C ATOM 910 O ARG A 60 -4.034 12.913 6.140 1.00 0.00 O ATOM 911 CB ARG A 60 -1.024 12.645 6.024 1.00 0.00 C ATOM 912 CG ARG A 60 -0.896 14.027 6.643 1.00 0.00 C ATOM 913 CD ARG A 60 -0.209 14.999 5.696 1.00 0.00 C ATOM 914 NE ARG A 60 0.040 16.293 6.327 1.00 0.00 N ATOM 915 CZ ARG A 60 -0.916 17.173 6.601 1.00 0.00 C ATOM 916 NH1 ARG A 60 -2.179 16.899 6.302 1.00 0.00 N ATOM 917 NH2 ARG A 60 -0.611 18.329 7.175 1.00 0.00 N ATOM 0 H ARG A 60 -2.771 10.764 5.045 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.592 11.406 7.687 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.046 12.163 6.026 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.326 12.749 4.982 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.886 14.405 6.900 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.329 13.960 7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.736 14.572 5.360 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.828 15.141 4.810 1.00 0.00 H new ATOM 0 HE ARG A 60 1.001 16.534 6.570 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.417 16.011 5.861 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.912 17.576 6.513 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.359 18.543 7.407 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.346 19.004 7.385 1.00 0.00 H new ATOM 931 N ALA A 61 -3.564 12.741 8.334 1.00 0.00 N ATOM 932 CA ALA A 61 -4.750 13.475 8.758 1.00 0.00 C ATOM 933 C ALA A 61 -4.380 14.857 9.286 1.00 0.00 C ATOM 934 O ALA A 61 -3.904 14.994 10.413 1.00 0.00 O ATOM 935 CB ALA A 61 -5.507 12.687 9.817 1.00 0.00 C ATOM 0 H ALA A 61 -2.970 12.421 9.099 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.396 13.608 7.890 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.390 13.247 10.125 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.812 11.725 9.406 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.862 12.524 10.680 1.00 0.00 H new ATOM 941 N ARG A 62 -4.603 15.878 8.466 1.00 0.00 N ATOM 942 CA ARG A 62 -4.291 17.249 8.851 1.00 0.00 C ATOM 943 C ARG A 62 -2.941 17.322 9.558 1.00 0.00 C ATOM 944 O ARG A 62 -2.725 18.175 10.418 1.00 0.00 O ATOM 945 CB ARG A 62 -5.387 17.807 9.761 1.00 0.00 C ATOM 946 CG ARG A 62 -5.519 19.320 9.698 1.00 0.00 C ATOM 947 CD ARG A 62 -6.933 19.771 10.029 1.00 0.00 C ATOM 948 NE ARG A 62 -7.021 21.219 10.197 1.00 0.00 N ATOM 949 CZ ARG A 62 -8.135 21.851 10.550 1.00 0.00 C ATOM 950 NH1 ARG A 62 -9.248 21.166 10.772 1.00 0.00 N ATOM 951 NH2 ARG A 62 -8.136 23.171 10.682 1.00 0.00 N ATOM 0 H ARG A 62 -4.999 15.782 7.531 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.239 17.852 7.944 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.340 17.356 9.486 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.179 17.511 10.789 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.818 19.777 10.396 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.249 19.669 8.701 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.609 19.457 9.234 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.266 19.279 10.943 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.182 21.775 10.035 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.251 20.151 10.672 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.102 21.654 11.043 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.281 23.701 10.512 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.992 23.656 10.953 1.00 0.00 H new ATOM 965 N GLY A 63 -2.036 16.421 9.190 1.00 0.00 N ATOM 966 CA GLY A 63 -0.719 16.400 9.799 1.00 0.00 C ATOM 967 C GLY A 63 -0.323 15.016 10.275 1.00 0.00 C ATOM 968 O GLY A 63 0.556 14.379 9.694 1.00 0.00 O ATOM 0 H GLY A 63 -2.191 15.705 8.481 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.017 16.758 9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.701 17.090 10.643 1.00 0.00 H new ATOM 972 N LYS A 64 -0.971 14.549 11.337 1.00 0.00 N ATOM 973 CA LYS A 64 -0.682 13.232 11.892 1.00 0.00 C ATOM 974 C LYS A 64 -0.797 12.153 10.821 1.00 0.00 C ATOM 975 O LYS A 64 -1.141 12.437 9.673 1.00 0.00 O ATOM 976 CB LYS A 64 -1.636 12.923 13.048 1.00 0.00 C ATOM 977 CG LYS A 64 -2.948 12.301 12.604 1.00 0.00 C ATOM 978 CD LYS A 64 -3.774 11.834 13.791 1.00 0.00 C ATOM 979 CE LYS A 64 -4.428 13.004 14.509 1.00 0.00 C ATOM 980 NZ LYS A 64 -5.244 12.555 15.672 1.00 0.00 N ATOM 0 H LYS A 64 -1.700 15.064 11.831 1.00 0.00 H new ATOM 0 HA LYS A 64 0.342 13.239 12.266 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.141 12.247 13.746 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.846 13.844 13.591 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.519 13.028 12.026 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.747 11.456 11.945 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.542 11.139 13.451 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.137 11.289 14.487 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.659 13.696 14.851 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.061 13.551 13.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.673 13.382 16.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.994 11.914 15.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.635 12.055 16.351 1.00 0.00 H new ATOM 994 N VAL A 65 -0.509 10.912 11.203 1.00 0.00 N ATOM 995 CA VAL A 65 -0.584 9.790 10.276 1.00 0.00 C ATOM 996 C VAL A 65 -1.211 8.569 10.940 1.00 0.00 C ATOM 997 O VAL A 65 -0.668 8.023 11.901 1.00 0.00 O ATOM 998 CB VAL A 65 0.810 9.410 9.741 1.00 0.00 C ATOM 999 CG1 VAL A 65 0.715 8.219 8.800 1.00 0.00 C ATOM 1000 CG2 VAL A 65 1.455 10.600 9.045 1.00 0.00 C ATOM 0 H VAL A 65 -0.222 10.659 12.148 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.211 10.109 9.443 1.00 0.00 H new ATOM 0 HB VAL A 65 1.439 9.126 10.585 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.709 7.965 8.432 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.297 7.366 9.334 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.070 8.471 7.958 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.439 10.314 8.673 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.829 10.916 8.210 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.559 11.423 9.752 1.00 0.00 H new ATOM 1010 N LYS A 66 -2.358 8.144 10.421 1.00 0.00 N ATOM 1011 CA LYS A 66 -3.060 6.986 10.962 1.00 0.00 C ATOM 1012 C LYS A 66 -2.953 5.794 10.015 1.00 0.00 C ATOM 1013 O LYS A 66 -2.425 5.913 8.909 1.00 0.00 O ATOM 1014 CB LYS A 66 -4.532 7.325 11.207 1.00 0.00 C ATOM 1015 CG LYS A 66 -4.771 8.106 12.488 1.00 0.00 C ATOM 1016 CD LYS A 66 -4.948 7.181 13.680 1.00 0.00 C ATOM 1017 CE LYS A 66 -5.380 7.947 14.921 1.00 0.00 C ATOM 1018 NZ LYS A 66 -4.917 7.284 16.172 1.00 0.00 N ATOM 0 H LYS A 66 -2.821 8.584 9.626 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.592 6.719 11.910 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.908 7.903 10.363 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.108 6.400 11.242 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.931 8.777 12.668 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.658 8.729 12.375 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.692 6.420 13.444 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.011 6.660 13.880 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.982 8.961 14.879 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.467 8.031 14.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.232 7.837 16.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.317 6.326 16.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.879 7.226 16.170 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.458 4.647 10.457 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.420 3.434 9.648 1.00 0.00 C ATOM 1034 C HIS A 67 -4.735 2.667 9.757 1.00 0.00 C ATOM 1035 O HIS A 67 -5.318 2.568 10.837 1.00 0.00 O ATOM 1036 CB HIS A 67 -2.258 2.541 10.082 1.00 0.00 C ATOM 1037 CG HIS A 67 -0.989 3.294 10.343 1.00 0.00 C ATOM 1038 ND1 HIS A 67 0.139 3.161 9.562 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -0.676 4.193 11.305 1.00 0.00 C ATOM 1040 CE1 HIS A 67 1.093 3.944 10.033 1.00 0.00 C ATOM 1041 NE2 HIS A 67 0.624 4.582 11.090 1.00 0.00 N ATOM 0 H HIS A 67 -3.898 4.532 11.370 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.274 3.726 8.608 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.543 2.001 10.985 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -2.076 1.795 9.309 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.327 4.540 12.094 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.087 4.045 9.623 1.00 0.00 H new ATOM 0 HE2 HIS A 67 1.143 5.254 11.655 1.00 0.00 H new ATOM 1050 N CYS A 68 -5.195 2.127 8.634 1.00 0.00 N ATOM 1051 CA CYS A 68 -6.441 1.370 8.604 1.00 0.00 C ATOM 1052 C CYS A 68 -6.182 -0.090 8.251 1.00 0.00 C ATOM 1053 O CYS A 68 -5.662 -0.397 7.178 1.00 0.00 O ATOM 1054 CB CYS A 68 -7.412 1.987 7.595 1.00 0.00 C ATOM 1055 SG CYS A 68 -9.141 1.534 7.864 1.00 0.00 S ATOM 0 H CYS A 68 -4.724 2.199 7.732 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.886 1.411 9.598 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.321 3.072 7.636 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.119 1.681 6.591 1.00 0.00 H new ATOM 0 HG CYS A 68 -9.898 2.571 7.660 1.00 0.00 H new ATOM 1061 N ARG A 69 -6.546 -0.987 9.162 1.00 0.00 N ATOM 1062 CA ARG A 69 -6.350 -2.416 8.948 1.00 0.00 C ATOM 1063 C ARG A 69 -7.232 -2.922 7.810 1.00 0.00 C ATOM 1064 O ARG A 69 -8.431 -2.645 7.772 1.00 0.00 O ATOM 1065 CB ARG A 69 -6.657 -3.192 10.230 1.00 0.00 C ATOM 1066 CG ARG A 69 -6.417 -4.688 10.109 1.00 0.00 C ATOM 1067 CD ARG A 69 -4.932 -5.014 10.086 1.00 0.00 C ATOM 1068 NE ARG A 69 -4.393 -5.204 11.430 1.00 0.00 N ATOM 1069 CZ ARG A 69 -4.617 -6.287 12.166 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -5.364 -7.273 11.689 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -4.091 -6.386 13.380 1.00 0.00 N ATOM 0 H ARG A 69 -6.978 -0.749 10.055 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.307 -2.577 8.675 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.042 -2.798 11.039 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.697 -3.021 10.508 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.891 -5.202 10.945 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.887 -5.060 9.199 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.768 -5.917 9.499 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.392 -4.208 9.589 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.813 -4.464 11.825 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.768 -7.201 10.755 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.535 -8.104 12.256 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.514 -5.630 13.749 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.264 -7.218 13.944 1.00 0.00 H new ATOM 1085 N ILE A 70 -6.630 -3.663 6.886 1.00 0.00 N ATOM 1086 CA ILE A 70 -7.362 -4.207 5.749 1.00 0.00 C ATOM 1087 C ILE A 70 -7.527 -5.718 5.874 1.00 0.00 C ATOM 1088 O ILE A 70 -6.547 -6.452 5.987 1.00 0.00 O ATOM 1089 CB ILE A 70 -6.653 -3.887 4.419 1.00 0.00 C ATOM 1090 CG1 ILE A 70 -6.344 -2.392 4.328 1.00 0.00 C ATOM 1091 CG2 ILE A 70 -7.511 -4.329 3.243 1.00 0.00 C ATOM 1092 CD1 ILE A 70 -5.337 -2.048 3.253 1.00 0.00 C ATOM 0 H ILE A 70 -5.638 -3.900 6.902 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.345 -3.735 5.750 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.712 -4.436 4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.269 -1.849 4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.967 -2.048 5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.997 -4.097 2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.685 -5.403 3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.466 -3.804 3.272 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.166 -0.972 3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.398 -2.563 3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.720 -2.361 2.282 1.00 0.00 H new ATOM 1104 N ASN A 71 -8.775 -6.175 5.850 1.00 0.00 N ATOM 1105 CA ASN A 71 -9.070 -7.599 5.959 1.00 0.00 C ATOM 1106 C ASN A 71 -9.647 -8.137 4.654 1.00 0.00 C ATOM 1107 O ASN A 71 -9.815 -7.395 3.685 1.00 0.00 O ATOM 1108 CB ASN A 71 -10.050 -7.852 7.106 1.00 0.00 C ATOM 1109 CG ASN A 71 -9.881 -9.229 7.719 1.00 0.00 C ATOM 1110 OD1 ASN A 71 -8.789 -9.798 7.701 1.00 0.00 O ATOM 1111 ND2 ASN A 71 -10.963 -9.771 8.265 1.00 0.00 N ATOM 0 H ASN A 71 -9.598 -5.580 5.756 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.137 -8.123 6.166 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.906 -7.094 7.876 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.071 -7.744 6.739 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.910 -10.696 8.693 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.847 -9.263 8.257 1.00 0.00 H new ATOM 1118 N ARG A 72 -9.950 -9.431 4.635 1.00 0.00 N ATOM 1119 CA ARG A 72 -10.509 -10.068 3.449 1.00 0.00 C ATOM 1120 C ARG A 72 -11.729 -10.910 3.808 1.00 0.00 C ATOM 1121 O ARG A 72 -11.748 -11.588 4.836 1.00 0.00 O ATOM 1122 CB ARG A 72 -9.453 -10.943 2.769 1.00 0.00 C ATOM 1123 CG ARG A 72 -8.630 -10.205 1.727 1.00 0.00 C ATOM 1124 CD ARG A 72 -7.241 -10.808 1.585 1.00 0.00 C ATOM 1125 NE ARG A 72 -7.217 -11.908 0.624 1.00 0.00 N ATOM 1126 CZ ARG A 72 -6.099 -12.442 0.146 1.00 0.00 C ATOM 1127 NH1 ARG A 72 -4.919 -11.980 0.538 1.00 0.00 N ATOM 1128 NH2 ARG A 72 -6.159 -13.440 -0.726 1.00 0.00 N ATOM 0 H ARG A 72 -9.818 -10.059 5.428 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.821 -9.284 2.759 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.784 -11.347 3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.947 -11.792 2.295 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -9.143 -10.239 0.766 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.545 -9.155 2.006 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.541 -10.035 1.268 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.901 -11.168 2.556 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.108 -12.287 0.302 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.869 -11.213 1.208 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.062 -12.392 0.169 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.064 -13.798 -1.030 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.300 -13.849 -1.092 1.00 0.00 H new ATOM 1142 N ASP A 73 -12.746 -10.862 2.954 1.00 0.00 N ATOM 1143 CA ASP A 73 -13.970 -11.621 3.181 1.00 0.00 C ATOM 1144 C ASP A 73 -14.317 -12.470 1.962 1.00 0.00 C ATOM 1145 O ASP A 73 -15.257 -12.166 1.228 1.00 0.00 O ATOM 1146 CB ASP A 73 -15.128 -10.677 3.506 1.00 0.00 C ATOM 1147 CG ASP A 73 -15.212 -10.351 4.985 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -14.170 -10.430 5.670 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -16.318 -10.016 5.456 1.00 0.00 O ATOM 0 H ASP A 73 -12.747 -10.306 2.099 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.804 -12.285 4.029 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -15.010 -9.753 2.939 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -16.065 -11.131 3.183 1.00 0.00 H new ATOM 1154 N GLY A 74 -13.550 -13.535 1.750 1.00 0.00 N ATOM 1155 CA GLY A 74 -13.791 -14.410 0.618 1.00 0.00 C ATOM 1156 C GLY A 74 -13.291 -13.822 -0.686 1.00 0.00 C ATOM 1157 O GLY A 74 -14.030 -13.131 -1.387 1.00 0.00 O ATOM 0 H GLY A 74 -12.766 -13.807 2.342 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.301 -15.368 0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -14.860 -14.609 0.537 1.00 0.00 H new ATOM 1161 N ARG A 75 -12.032 -14.095 -1.012 1.00 0.00 N ATOM 1162 CA ARG A 75 -11.433 -13.586 -2.240 1.00 0.00 C ATOM 1163 C ARG A 75 -11.840 -12.135 -2.482 1.00 0.00 C ATOM 1164 O ARG A 75 -11.928 -11.687 -3.626 1.00 0.00 O ATOM 1165 CB ARG A 75 -11.848 -14.450 -3.432 1.00 0.00 C ATOM 1166 CG ARG A 75 -13.338 -14.403 -3.728 1.00 0.00 C ATOM 1167 CD ARG A 75 -13.696 -15.272 -4.923 1.00 0.00 C ATOM 1168 NE ARG A 75 -14.976 -14.891 -5.514 1.00 0.00 N ATOM 1169 CZ ARG A 75 -15.660 -15.665 -6.349 1.00 0.00 C ATOM 1170 NH1 ARG A 75 -15.189 -16.856 -6.690 1.00 0.00 N ATOM 1171 NH2 ARG A 75 -16.818 -15.248 -6.845 1.00 0.00 N ATOM 0 H ARG A 75 -11.407 -14.666 -0.443 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.349 -13.628 -2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.300 -14.123 -4.316 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.556 -15.483 -3.241 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.895 -14.739 -2.853 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.639 -13.374 -3.922 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.912 -15.194 -5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.737 -16.316 -4.613 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.366 -13.980 -5.272 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.299 -17.180 -6.311 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.716 -17.448 -7.331 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.184 -14.332 -6.585 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.342 -15.843 -7.486 1.00 0.00 H new ATOM 1185 N HIS A 76 -12.089 -11.407 -1.399 1.00 0.00 N ATOM 1186 CA HIS A 76 -12.487 -10.007 -1.493 1.00 0.00 C ATOM 1187 C HIS A 76 -11.809 -9.174 -0.409 1.00 0.00 C ATOM 1188 O HIS A 76 -11.544 -9.664 0.689 1.00 0.00 O ATOM 1189 CB HIS A 76 -14.006 -9.878 -1.376 1.00 0.00 C ATOM 1190 CG HIS A 76 -14.744 -10.374 -2.581 1.00 0.00 C ATOM 1191 ND1 HIS A 76 -14.399 -10.381 -3.890 1.00 0.00 N flip ATOM 1192 CD2 HIS A 76 -15.998 -10.945 -2.514 1.00 0.00 C flip ATOM 1193 CE1 HIS A 76 -15.439 -10.951 -4.583 1.00 0.00 C flip ATOM 1194 NE2 HIS A 76 -16.391 -11.283 -3.729 1.00 0.00 N flip ATOM 0 H HIS A 76 -12.022 -11.763 -0.446 1.00 0.00 H new ATOM 0 HA HIS A 76 -12.171 -9.630 -2.466 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -14.343 -10.432 -0.500 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -14.262 -8.832 -1.209 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -16.569 -11.093 -1.609 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -15.473 -11.103 -5.652 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -17.279 -11.725 -3.967 1.00 0.00 H new ATOM 1203 N PHE A 77 -11.530 -7.914 -0.726 1.00 0.00 N ATOM 1204 CA PHE A 77 -10.882 -7.014 0.221 1.00 0.00 C ATOM 1205 C PHE A 77 -11.911 -6.148 0.941 1.00 0.00 C ATOM 1206 O PHE A 77 -12.894 -5.708 0.346 1.00 0.00 O ATOM 1207 CB PHE A 77 -9.867 -6.126 -0.502 1.00 0.00 C ATOM 1208 CG PHE A 77 -8.764 -6.896 -1.171 1.00 0.00 C ATOM 1209 CD1 PHE A 77 -7.610 -7.223 -0.477 1.00 0.00 C ATOM 1210 CD2 PHE A 77 -8.883 -7.294 -2.493 1.00 0.00 C ATOM 1211 CE1 PHE A 77 -6.594 -7.931 -1.091 1.00 0.00 C ATOM 1212 CE2 PHE A 77 -7.870 -8.003 -3.111 1.00 0.00 C ATOM 1213 CZ PHE A 77 -6.725 -8.323 -2.409 1.00 0.00 C ATOM 0 H PHE A 77 -11.742 -7.493 -1.631 1.00 0.00 H new ATOM 0 HA PHE A 77 -10.362 -7.620 0.963 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.388 -5.529 -1.250 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.430 -5.430 0.214 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -7.503 -6.921 0.555 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -9.777 -7.048 -3.047 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.698 -8.178 -0.540 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -7.974 -8.306 -4.142 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.933 -8.879 -2.889 1.00 0.00 H new ATOM 1223 N VAL A 78 -11.677 -5.908 2.227 1.00 0.00 N ATOM 1224 CA VAL A 78 -12.582 -5.095 3.030 1.00 0.00 C ATOM 1225 C VAL A 78 -11.812 -4.089 3.878 1.00 0.00 C ATOM 1226 O VAL A 78 -11.143 -4.457 4.844 1.00 0.00 O ATOM 1227 CB VAL A 78 -13.452 -5.968 3.954 1.00 0.00 C ATOM 1228 CG1 VAL A 78 -14.397 -5.103 4.773 1.00 0.00 C ATOM 1229 CG2 VAL A 78 -14.226 -6.996 3.141 1.00 0.00 C ATOM 0 H VAL A 78 -10.868 -6.265 2.735 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.228 -4.560 2.333 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.797 -6.501 4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.003 -5.738 5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.819 -4.410 5.384 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.048 -4.540 4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -14.835 -7.604 3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.871 -6.484 2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.527 -7.637 2.604 1.00 0.00 H new ATOM 1239 N LEU A 79 -11.911 -2.816 3.511 1.00 0.00 N ATOM 1240 CA LEU A 79 -11.223 -1.754 4.238 1.00 0.00 C ATOM 1241 C LEU A 79 -11.601 -1.774 5.716 1.00 0.00 C ATOM 1242 O LEU A 79 -10.816 -2.200 6.562 1.00 0.00 O ATOM 1243 CB LEU A 79 -11.562 -0.391 3.631 1.00 0.00 C ATOM 1244 CG LEU A 79 -10.978 0.826 4.348 1.00 0.00 C ATOM 1245 CD1 LEU A 79 -10.842 1.997 3.387 1.00 0.00 C ATOM 1246 CD2 LEU A 79 -11.844 1.210 5.539 1.00 0.00 C ATOM 0 H LEU A 79 -12.461 -2.494 2.715 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.150 -1.925 4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.216 -0.380 2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.647 -0.287 3.605 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.985 0.566 4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.425 2.854 3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.181 1.719 2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.823 2.258 2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -11.413 2.078 6.037 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.850 1.451 5.195 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.890 0.376 6.239 1.00 0.00 H new ATOM 1258 N GLY A 80 -12.810 -1.310 6.019 1.00 0.00 N ATOM 1259 CA GLY A 80 -13.271 -1.286 7.395 1.00 0.00 C ATOM 1260 C GLY A 80 -14.761 -1.539 7.511 1.00 0.00 C ATOM 1261 O GLY A 80 -15.219 -2.175 8.462 1.00 0.00 O ATOM 0 H GLY A 80 -13.478 -0.951 5.337 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.732 -2.040 7.969 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.034 -0.318 7.838 1.00 0.00 H new ATOM 1265 N THR A 81 -15.522 -1.040 6.542 1.00 0.00 N ATOM 1266 CA THR A 81 -16.969 -1.213 6.541 1.00 0.00 C ATOM 1267 C THR A 81 -17.406 -2.185 5.451 1.00 0.00 C ATOM 1268 O THR A 81 -16.574 -2.779 4.766 1.00 0.00 O ATOM 1269 CB THR A 81 -17.696 0.130 6.337 1.00 0.00 C ATOM 1270 OG1 THR A 81 -17.494 0.597 4.998 1.00 0.00 O ATOM 1271 CG2 THR A 81 -17.193 1.173 7.323 1.00 0.00 C ATOM 0 H THR A 81 -15.160 -0.513 5.748 1.00 0.00 H new ATOM 0 HA THR A 81 -17.239 -1.619 7.516 1.00 0.00 H new ATOM 0 HB THR A 81 -18.760 -0.028 6.511 1.00 0.00 H new ATOM 0 HG1 THR A 81 -17.960 1.450 4.875 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.721 2.113 7.160 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.373 0.828 8.341 1.00 0.00 H new ATOM 0 HG23 THR A 81 -16.124 1.327 7.176 1.00 0.00 H new ATOM 1279 N SER A 82 -18.717 -2.343 5.296 1.00 0.00 N ATOM 1280 CA SER A 82 -19.264 -3.247 4.291 1.00 0.00 C ATOM 1281 C SER A 82 -18.973 -2.734 2.884 1.00 0.00 C ATOM 1282 O SER A 82 -19.870 -2.265 2.185 1.00 0.00 O ATOM 1283 CB SER A 82 -20.773 -3.406 4.486 1.00 0.00 C ATOM 1284 OG SER A 82 -21.072 -3.879 5.788 1.00 0.00 O ATOM 0 H SER A 82 -19.420 -1.857 5.853 1.00 0.00 H new ATOM 0 HA SER A 82 -18.785 -4.219 4.411 1.00 0.00 H new ATOM 0 HB2 SER A 82 -21.267 -2.448 4.321 1.00 0.00 H new ATOM 0 HB3 SER A 82 -21.168 -4.100 3.744 1.00 0.00 H new ATOM 0 HG SER A 82 -22.043 -3.971 5.888 1.00 0.00 H new ATOM 1290 N ALA A 83 -17.712 -2.828 2.476 1.00 0.00 N ATOM 1291 CA ALA A 83 -17.301 -2.376 1.153 1.00 0.00 C ATOM 1292 C ALA A 83 -16.541 -3.469 0.410 1.00 0.00 C ATOM 1293 O ALA A 83 -15.332 -3.625 0.583 1.00 0.00 O ATOM 1294 CB ALA A 83 -16.449 -1.120 1.264 1.00 0.00 C ATOM 0 H ALA A 83 -16.957 -3.213 3.043 1.00 0.00 H new ATOM 0 HA ALA A 83 -18.200 -2.143 0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -16.150 -0.794 0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.026 -0.331 1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.561 -1.334 1.858 1.00 0.00 H new ATOM 1300 N TYR A 84 -17.257 -4.225 -0.415 1.00 0.00 N ATOM 1301 CA TYR A 84 -16.650 -5.307 -1.181 1.00 0.00 C ATOM 1302 C TYR A 84 -15.905 -4.763 -2.396 1.00 0.00 C ATOM 1303 O TYR A 84 -16.439 -3.953 -3.155 1.00 0.00 O ATOM 1304 CB TYR A 84 -17.719 -6.305 -1.629 1.00 0.00 C ATOM 1305 CG TYR A 84 -17.987 -7.398 -0.620 1.00 0.00 C ATOM 1306 CD1 TYR A 84 -18.100 -7.109 0.734 1.00 0.00 C ATOM 1307 CD2 TYR A 84 -18.130 -8.721 -1.021 1.00 0.00 C ATOM 1308 CE1 TYR A 84 -18.344 -8.105 1.660 1.00 0.00 C ATOM 1309 CE2 TYR A 84 -18.376 -9.724 -0.103 1.00 0.00 C ATOM 1310 CZ TYR A 84 -18.482 -9.411 1.236 1.00 0.00 C ATOM 1311 OH TYR A 84 -18.727 -10.406 2.155 1.00 0.00 O ATOM 0 H TYR A 84 -18.258 -4.108 -0.570 1.00 0.00 H new ATOM 0 HA TYR A 84 -15.934 -5.817 -0.537 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -18.647 -5.767 -1.825 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -17.409 -6.759 -2.570 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -17.995 -6.088 1.069 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -18.047 -8.970 -2.069 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -18.426 -7.863 2.709 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -18.485 -10.747 -0.432 1.00 0.00 H new ATOM 0 HH TYR A 84 -18.799 -11.267 1.693 1.00 0.00 H new ATOM 1321 N PHE A 85 -14.668 -5.214 -2.575 1.00 0.00 N ATOM 1322 CA PHE A 85 -13.848 -4.773 -3.697 1.00 0.00 C ATOM 1323 C PHE A 85 -12.967 -5.910 -4.206 1.00 0.00 C ATOM 1324 O PHE A 85 -12.017 -6.319 -3.539 1.00 0.00 O ATOM 1325 CB PHE A 85 -12.978 -3.584 -3.285 1.00 0.00 C ATOM 1326 CG PHE A 85 -13.768 -2.350 -2.953 1.00 0.00 C ATOM 1327 CD1 PHE A 85 -14.478 -1.681 -3.937 1.00 0.00 C ATOM 1328 CD2 PHE A 85 -13.801 -1.860 -1.658 1.00 0.00 C ATOM 1329 CE1 PHE A 85 -15.205 -0.545 -3.635 1.00 0.00 C ATOM 1330 CE2 PHE A 85 -14.526 -0.725 -1.349 1.00 0.00 C ATOM 1331 CZ PHE A 85 -15.230 -0.067 -2.339 1.00 0.00 C ATOM 0 H PHE A 85 -14.211 -5.885 -1.957 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.514 -4.464 -4.502 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -12.378 -3.866 -2.420 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.284 -3.355 -4.093 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -14.463 -2.051 -4.951 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.253 -2.371 -0.880 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -15.753 -0.032 -4.411 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.542 -0.353 -0.335 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.799 0.819 -2.100 1.00 0.00 H new ATOM 1341 N GLU A 86 -13.290 -6.416 -5.393 1.00 0.00 N ATOM 1342 CA GLU A 86 -12.528 -7.506 -5.991 1.00 0.00 C ATOM 1343 C GLU A 86 -11.028 -7.256 -5.864 1.00 0.00 C ATOM 1344 O GLU A 86 -10.231 -8.194 -5.845 1.00 0.00 O ATOM 1345 CB GLU A 86 -12.906 -7.674 -7.464 1.00 0.00 C ATOM 1346 CG GLU A 86 -12.775 -9.101 -7.967 1.00 0.00 C ATOM 1347 CD GLU A 86 -11.374 -9.654 -7.797 1.00 0.00 C ATOM 1348 OE1 GLU A 86 -10.508 -9.346 -8.642 1.00 0.00 O ATOM 1349 OE2 GLU A 86 -11.143 -10.395 -6.819 1.00 0.00 O ATOM 0 H GLU A 86 -14.073 -6.089 -5.958 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.772 -8.423 -5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.934 -7.340 -7.607 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.273 -7.025 -8.069 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.480 -9.737 -7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.050 -9.137 -9.021 1.00 0.00 H new ATOM 1356 N SER A 87 -10.652 -5.985 -5.776 1.00 0.00 N ATOM 1357 CA SER A 87 -9.248 -5.610 -5.656 1.00 0.00 C ATOM 1358 C SER A 87 -9.108 -4.214 -5.055 1.00 0.00 C ATOM 1359 O SER A 87 -9.932 -3.333 -5.303 1.00 0.00 O ATOM 1360 CB SER A 87 -8.565 -5.659 -7.024 1.00 0.00 C ATOM 1361 OG SER A 87 -9.279 -4.892 -7.978 1.00 0.00 O ATOM 0 H SER A 87 -11.300 -5.197 -5.786 1.00 0.00 H new ATOM 0 HA SER A 87 -8.763 -6.324 -4.991 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.546 -5.282 -6.939 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.495 -6.693 -7.362 1.00 0.00 H new ATOM 0 HG SER A 87 -8.821 -4.938 -8.843 1.00 0.00 H new ATOM 1367 N LEU A 88 -8.059 -4.021 -4.263 1.00 0.00 N ATOM 1368 CA LEU A 88 -7.809 -2.732 -3.625 1.00 0.00 C ATOM 1369 C LEU A 88 -7.962 -1.591 -4.625 1.00 0.00 C ATOM 1370 O LEU A 88 -8.350 -0.481 -4.262 1.00 0.00 O ATOM 1371 CB LEU A 88 -6.407 -2.707 -3.015 1.00 0.00 C ATOM 1372 CG LEU A 88 -6.091 -3.817 -2.012 1.00 0.00 C ATOM 1373 CD1 LEU A 88 -4.587 -4.008 -1.883 1.00 0.00 C ATOM 1374 CD2 LEU A 88 -6.709 -3.505 -0.657 1.00 0.00 C ATOM 0 H LEU A 88 -7.368 -4.740 -4.047 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.546 -2.597 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.679 -2.759 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.265 -1.746 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.525 -4.747 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.381 -4.802 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.170 -4.279 -2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.131 -3.080 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.473 -4.306 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.306 -2.564 -0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.791 -3.421 -0.761 1.00 0.00 H new ATOM 1386 N VAL A 89 -7.656 -1.872 -5.888 1.00 0.00 N ATOM 1387 CA VAL A 89 -7.762 -0.871 -6.942 1.00 0.00 C ATOM 1388 C VAL A 89 -9.125 -0.189 -6.916 1.00 0.00 C ATOM 1389 O VAL A 89 -9.218 1.028 -6.761 1.00 0.00 O ATOM 1390 CB VAL A 89 -7.537 -1.493 -8.333 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -7.740 -0.452 -9.423 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -6.149 -2.108 -8.423 1.00 0.00 C ATOM 0 H VAL A 89 -7.332 -2.786 -6.206 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.984 -0.130 -6.755 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.271 -2.286 -8.480 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.577 -0.910 -10.399 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.757 -0.063 -9.370 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.032 0.365 -9.283 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.007 -2.543 -9.412 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.398 -1.337 -8.255 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -6.046 -2.886 -7.667 1.00 0.00 H new ATOM 1402 N GLU A 90 -10.181 -0.982 -7.070 1.00 0.00 N ATOM 1403 CA GLU A 90 -11.540 -0.454 -7.065 1.00 0.00 C ATOM 1404 C GLU A 90 -11.826 0.299 -5.768 1.00 0.00 C ATOM 1405 O GLU A 90 -12.474 1.346 -5.775 1.00 0.00 O ATOM 1406 CB GLU A 90 -12.552 -1.587 -7.243 1.00 0.00 C ATOM 1407 CG GLU A 90 -12.733 -2.019 -8.689 1.00 0.00 C ATOM 1408 CD GLU A 90 -13.941 -2.916 -8.883 1.00 0.00 C ATOM 1409 OE1 GLU A 90 -13.930 -4.048 -8.357 1.00 0.00 O ATOM 1410 OE2 GLU A 90 -14.897 -2.483 -9.560 1.00 0.00 O ATOM 0 H GLU A 90 -10.121 -1.992 -7.200 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.635 0.242 -7.898 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.231 -2.446 -6.653 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.515 -1.269 -6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.837 -1.135 -9.318 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -11.838 -2.544 -9.022 1.00 0.00 H new ATOM 1417 N LEU A 91 -11.339 -0.242 -4.657 1.00 0.00 N ATOM 1418 CA LEU A 91 -11.542 0.377 -3.352 1.00 0.00 C ATOM 1419 C LEU A 91 -10.966 1.789 -3.323 1.00 0.00 C ATOM 1420 O LEU A 91 -11.536 2.691 -2.710 1.00 0.00 O ATOM 1421 CB LEU A 91 -10.895 -0.473 -2.257 1.00 0.00 C ATOM 1422 CG LEU A 91 -11.124 -0.003 -0.820 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -11.109 -1.185 0.137 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -10.074 1.023 -0.420 1.00 0.00 C ATOM 0 H LEU A 91 -10.801 -1.108 -4.634 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.615 0.439 -3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -11.268 -1.493 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.821 -0.509 -2.440 1.00 0.00 H new ATOM 0 HG LEU A 91 -12.104 0.470 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -11.274 -0.831 1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.899 -1.884 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.144 -1.688 0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.253 1.346 0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.083 0.576 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.133 1.883 -1.087 1.00 0.00 H new ATOM 1436 N VAL A 92 -9.832 1.973 -3.993 1.00 0.00 N ATOM 1437 CA VAL A 92 -9.180 3.276 -4.047 1.00 0.00 C ATOM 1438 C VAL A 92 -10.016 4.277 -4.838 1.00 0.00 C ATOM 1439 O VAL A 92 -10.250 5.398 -4.388 1.00 0.00 O ATOM 1440 CB VAL A 92 -7.781 3.177 -4.683 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -7.188 4.563 -4.888 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -6.865 2.318 -3.824 1.00 0.00 C ATOM 0 H VAL A 92 -9.347 1.237 -4.505 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.080 3.623 -3.019 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.878 2.701 -5.659 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.199 4.473 -5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.835 5.142 -5.547 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.104 5.069 -3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.881 2.259 -4.288 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.773 2.763 -2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.285 1.316 -3.734 1.00 0.00 H new ATOM 1452 N SER A 93 -10.464 3.863 -6.019 1.00 0.00 N ATOM 1453 CA SER A 93 -11.271 4.724 -6.875 1.00 0.00 C ATOM 1454 C SER A 93 -12.632 4.997 -6.241 1.00 0.00 C ATOM 1455 O SER A 93 -13.216 6.064 -6.433 1.00 0.00 O ATOM 1456 CB SER A 93 -11.457 4.082 -8.251 1.00 0.00 C ATOM 1457 OG SER A 93 -12.264 4.892 -9.087 1.00 0.00 O ATOM 0 H SER A 93 -10.282 2.937 -6.405 1.00 0.00 H new ATOM 0 HA SER A 93 -10.746 5.672 -6.993 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.484 3.928 -8.718 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.916 3.100 -8.138 1.00 0.00 H new ATOM 0 HG SER A 93 -12.366 4.460 -9.961 1.00 0.00 H new ATOM 1463 N TYR A 94 -13.132 4.025 -5.486 1.00 0.00 N ATOM 1464 CA TYR A 94 -14.425 4.158 -4.825 1.00 0.00 C ATOM 1465 C TYR A 94 -14.371 5.221 -3.732 1.00 0.00 C ATOM 1466 O TYR A 94 -15.256 6.070 -3.632 1.00 0.00 O ATOM 1467 CB TYR A 94 -14.857 2.818 -4.229 1.00 0.00 C ATOM 1468 CG TYR A 94 -16.201 2.867 -3.538 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -16.316 3.329 -2.233 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -17.355 2.452 -4.190 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -17.541 3.376 -1.597 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -18.585 2.496 -3.562 1.00 0.00 C ATOM 1473 CZ TYR A 94 -18.673 2.959 -2.266 1.00 0.00 C ATOM 1474 OH TYR A 94 -19.896 3.003 -1.637 1.00 0.00 O ATOM 0 H TYR A 94 -12.661 3.136 -5.316 1.00 0.00 H new ATOM 0 HA TYR A 94 -15.156 4.468 -5.572 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -14.893 2.072 -5.023 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -14.103 2.488 -3.515 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -15.432 3.657 -1.707 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -17.290 2.089 -5.205 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -17.612 3.737 -0.582 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -19.473 2.170 -4.083 1.00 0.00 H new ATOM 0 HH TYR A 94 -20.590 2.675 -2.247 1.00 0.00 H new ATOM 1484 N TYR A 95 -13.325 5.166 -2.914 1.00 0.00 N ATOM 1485 CA TYR A 95 -13.155 6.121 -1.826 1.00 0.00 C ATOM 1486 C TYR A 95 -12.824 7.509 -2.366 1.00 0.00 C ATOM 1487 O TYR A 95 -13.211 8.522 -1.784 1.00 0.00 O ATOM 1488 CB TYR A 95 -12.051 5.654 -0.877 1.00 0.00 C ATOM 1489 CG TYR A 95 -12.546 4.753 0.232 1.00 0.00 C ATOM 1490 CD1 TYR A 95 -13.230 3.578 -0.054 1.00 0.00 C ATOM 1491 CD2 TYR A 95 -12.328 5.076 1.565 1.00 0.00 C ATOM 1492 CE1 TYR A 95 -13.684 2.752 0.955 1.00 0.00 C ATOM 1493 CE2 TYR A 95 -12.778 4.256 2.582 1.00 0.00 C ATOM 1494 CZ TYR A 95 -13.456 3.095 2.272 1.00 0.00 C ATOM 1495 OH TYR A 95 -13.906 2.275 3.281 1.00 0.00 O ATOM 0 H TYR A 95 -12.583 4.470 -2.984 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.095 6.179 -1.278 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -11.290 5.125 -1.451 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -11.569 6.527 -0.437 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.410 3.306 -1.084 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -11.797 5.984 1.811 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -14.215 1.843 0.715 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.600 4.522 3.613 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.917 1.346 2.968 1.00 0.00 H new ATOM 1505 N GLU A 96 -12.105 7.546 -3.483 1.00 0.00 N ATOM 1506 CA GLU A 96 -11.720 8.809 -4.103 1.00 0.00 C ATOM 1507 C GLU A 96 -12.895 9.783 -4.126 1.00 0.00 C ATOM 1508 O GLU A 96 -12.709 10.999 -4.086 1.00 0.00 O ATOM 1509 CB GLU A 96 -11.213 8.571 -5.527 1.00 0.00 C ATOM 1510 CG GLU A 96 -9.721 8.291 -5.602 1.00 0.00 C ATOM 1511 CD GLU A 96 -9.155 8.519 -6.990 1.00 0.00 C ATOM 1512 OE1 GLU A 96 -9.547 7.782 -7.919 1.00 0.00 O ATOM 1513 OE2 GLU A 96 -8.320 9.434 -7.148 1.00 0.00 O ATOM 0 H GLU A 96 -11.777 6.716 -3.977 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.918 9.247 -3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.754 7.730 -5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.441 9.446 -6.136 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -9.199 8.931 -4.891 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.533 7.260 -5.301 1.00 0.00 H new ATOM 1520 N LYS A 97 -14.105 9.239 -4.192 1.00 0.00 N ATOM 1521 CA LYS A 97 -15.312 10.057 -4.220 1.00 0.00 C ATOM 1522 C LYS A 97 -15.764 10.408 -2.806 1.00 0.00 C ATOM 1523 O LYS A 97 -16.003 11.575 -2.491 1.00 0.00 O ATOM 1524 CB LYS A 97 -16.434 9.324 -4.958 1.00 0.00 C ATOM 1525 CG LYS A 97 -16.309 9.386 -6.470 1.00 0.00 C ATOM 1526 CD LYS A 97 -16.938 10.650 -7.030 1.00 0.00 C ATOM 1527 CE LYS A 97 -18.453 10.532 -7.106 1.00 0.00 C ATOM 1528 NZ LYS A 97 -18.890 9.738 -8.287 1.00 0.00 N ATOM 0 H LYS A 97 -14.276 8.234 -4.227 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.081 10.981 -4.749 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -16.442 8.280 -4.645 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -17.392 9.752 -4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.257 9.347 -6.751 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -16.789 8.513 -6.912 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.669 11.500 -6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.537 10.848 -8.024 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -18.827 10.064 -6.195 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -18.893 11.528 -7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -19.928 9.681 -8.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -18.556 10.198 -9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -18.492 8.779 -8.227 1.00 0.00 H new ATOM 1542 N HIS A 98 -15.878 9.392 -1.956 1.00 0.00 N ATOM 1543 CA HIS A 98 -16.300 9.595 -0.575 1.00 0.00 C ATOM 1544 C HIS A 98 -15.116 9.995 0.301 1.00 0.00 C ATOM 1545 O HIS A 98 -13.996 10.149 -0.184 1.00 0.00 O ATOM 1546 CB HIS A 98 -16.948 8.324 -0.026 1.00 0.00 C ATOM 1547 CG HIS A 98 -18.276 8.013 -0.646 1.00 0.00 C ATOM 1548 ND1 HIS A 98 -18.899 6.790 -0.516 1.00 0.00 N ATOM 1549 CD2 HIS A 98 -19.100 8.776 -1.401 1.00 0.00 C ATOM 1550 CE1 HIS A 98 -20.049 6.813 -1.167 1.00 0.00 C ATOM 1551 NE2 HIS A 98 -20.195 8.007 -1.713 1.00 0.00 N ATOM 0 H HIS A 98 -15.684 8.421 -2.199 1.00 0.00 H new ATOM 0 HA HIS A 98 -17.031 10.403 -0.559 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -16.274 7.483 -0.189 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -17.075 8.427 1.052 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -18.929 9.799 -1.702 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -20.750 5.995 -1.240 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -20.991 8.309 -2.275 1.00 0.00 H new ATOM 1560 N ALA A 99 -15.373 10.163 1.594 1.00 0.00 N ATOM 1561 CA ALA A 99 -14.330 10.544 2.538 1.00 0.00 C ATOM 1562 C ALA A 99 -13.652 9.315 3.133 1.00 0.00 C ATOM 1563 O ALA A 99 -14.067 8.182 2.882 1.00 0.00 O ATOM 1564 CB ALA A 99 -14.909 11.417 3.641 1.00 0.00 C ATOM 0 H ALA A 99 -16.295 10.041 2.012 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.576 11.115 1.997 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -14.119 11.694 4.339 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -15.339 12.318 3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.685 10.865 4.172 1.00 0.00 H new ATOM 1570 N LEU A 100 -12.609 9.544 3.922 1.00 0.00 N ATOM 1571 CA LEU A 100 -11.873 8.454 4.554 1.00 0.00 C ATOM 1572 C LEU A 100 -11.815 8.641 6.067 1.00 0.00 C ATOM 1573 O LEU A 100 -12.079 7.710 6.828 1.00 0.00 O ATOM 1574 CB LEU A 100 -10.455 8.372 3.984 1.00 0.00 C ATOM 1575 CG LEU A 100 -9.464 7.515 4.772 1.00 0.00 C ATOM 1576 CD1 LEU A 100 -9.832 6.043 4.669 1.00 0.00 C ATOM 1577 CD2 LEU A 100 -8.045 7.748 4.275 1.00 0.00 C ATOM 0 H LEU A 100 -12.253 10.475 4.140 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.398 7.523 4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.515 7.981 2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.054 9.383 3.913 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.513 7.808 5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.116 5.448 5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.832 5.889 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.812 5.735 3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.353 7.130 4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.981 7.483 3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.783 8.798 4.402 1.00 0.00 H new ATOM 1589 N TYR A 101 -11.470 9.850 6.495 1.00 0.00 N ATOM 1590 CA TYR A 101 -11.377 10.159 7.917 1.00 0.00 C ATOM 1591 C TYR A 101 -12.538 11.045 8.359 1.00 0.00 C ATOM 1592 O TYR A 101 -13.431 10.602 9.081 1.00 0.00 O ATOM 1593 CB TYR A 101 -10.048 10.850 8.225 1.00 0.00 C ATOM 1594 CG TYR A 101 -9.722 10.906 9.700 1.00 0.00 C ATOM 1595 CD1 TYR A 101 -10.570 11.548 10.595 1.00 0.00 C ATOM 1596 CD2 TYR A 101 -8.566 10.319 10.200 1.00 0.00 C ATOM 1597 CE1 TYR A 101 -10.276 11.603 11.944 1.00 0.00 C ATOM 1598 CE2 TYR A 101 -8.265 10.367 11.547 1.00 0.00 C ATOM 1599 CZ TYR A 101 -9.122 11.011 12.415 1.00 0.00 C ATOM 1600 OH TYR A 101 -8.825 11.062 13.758 1.00 0.00 O ATOM 0 H TYR A 101 -11.250 10.632 5.878 1.00 0.00 H new ATOM 0 HA TYR A 101 -11.428 9.221 8.470 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -9.247 10.326 7.704 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -10.076 11.865 7.829 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -11.474 12.012 10.230 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -7.891 9.816 9.523 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -10.945 12.106 12.626 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.363 9.903 11.919 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.979 10.597 13.924 1.00 0.00 H new ATOM 1610 N ARG A 102 -12.518 12.298 7.919 1.00 0.00 N ATOM 1611 CA ARG A 102 -13.568 13.248 8.269 1.00 0.00 C ATOM 1612 C ARG A 102 -14.120 13.931 7.021 1.00 0.00 C ATOM 1613 O ARG A 102 -15.290 13.766 6.676 1.00 0.00 O ATOM 1614 CB ARG A 102 -13.031 14.298 9.243 1.00 0.00 C ATOM 1615 CG ARG A 102 -14.091 14.862 10.175 1.00 0.00 C ATOM 1616 CD ARG A 102 -13.473 15.425 11.445 1.00 0.00 C ATOM 1617 NE ARG A 102 -14.269 16.515 12.004 1.00 0.00 N ATOM 1618 CZ ARG A 102 -14.306 17.738 11.488 1.00 0.00 C ATOM 1619 NH1 ARG A 102 -13.596 18.026 10.405 1.00 0.00 N ATOM 1620 NH2 ARG A 102 -15.054 18.676 12.054 1.00 0.00 N ATOM 0 H ARG A 102 -11.787 12.680 7.319 1.00 0.00 H new ATOM 0 HA ARG A 102 -14.377 12.697 8.749 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -12.234 13.854 9.839 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -12.587 15.115 8.675 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -14.649 15.646 9.662 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.805 14.079 10.432 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -13.377 14.630 12.185 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -12.467 15.784 11.230 1.00 0.00 H new ATOM 0 HE ARG A 102 -14.827 16.326 12.837 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.020 17.307 9.967 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -13.626 18.966 10.011 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -15.602 18.458 12.887 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -15.082 19.615 11.657 1.00 0.00 H new ATOM 1634 N LYS A 103 -13.270 14.700 6.348 1.00 0.00 N ATOM 1635 CA LYS A 103 -13.671 15.408 5.139 1.00 0.00 C ATOM 1636 C LYS A 103 -12.718 15.103 3.988 1.00 0.00 C ATOM 1637 O LYS A 103 -13.115 15.108 2.823 1.00 0.00 O ATOM 1638 CB LYS A 103 -13.711 16.916 5.396 1.00 0.00 C ATOM 1639 CG LYS A 103 -14.057 17.735 4.164 1.00 0.00 C ATOM 1640 CD LYS A 103 -13.654 19.190 4.330 1.00 0.00 C ATOM 1641 CE LYS A 103 -14.703 19.974 5.103 1.00 0.00 C ATOM 1642 NZ LYS A 103 -14.265 21.372 5.371 1.00 0.00 N ATOM 0 H LYS A 103 -12.298 14.848 6.620 1.00 0.00 H new ATOM 0 HA LYS A 103 -14.668 15.066 4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -14.443 17.124 6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -12.741 17.237 5.775 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -13.554 17.314 3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.128 17.673 3.974 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -12.698 19.247 4.851 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -13.509 19.643 3.349 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.635 19.987 4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.910 19.471 6.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.007 21.873 5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -13.389 21.360 5.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -14.092 21.861 4.469 1.00 0.00 H new ATOM 1656 N MET A 104 -11.460 14.837 4.323 1.00 0.00 N ATOM 1657 CA MET A 104 -10.451 14.526 3.316 1.00 0.00 C ATOM 1658 C MET A 104 -10.716 13.164 2.683 1.00 0.00 C ATOM 1659 O MET A 104 -11.560 12.403 3.156 1.00 0.00 O ATOM 1660 CB MET A 104 -9.054 14.549 3.940 1.00 0.00 C ATOM 1661 CG MET A 104 -8.765 13.348 4.826 1.00 0.00 C ATOM 1662 SD MET A 104 -7.007 12.955 4.911 1.00 0.00 S ATOM 1663 CE MET A 104 -6.952 11.441 3.955 1.00 0.00 C ATOM 0 H MET A 104 -11.115 14.830 5.283 1.00 0.00 H new ATOM 0 HA MET A 104 -10.505 15.285 2.536 1.00 0.00 H new ATOM 0 HB2 MET A 104 -8.310 14.591 3.144 1.00 0.00 H new ATOM 0 HB3 MET A 104 -8.943 15.460 4.529 1.00 0.00 H new ATOM 0 HG2 MET A 104 -9.138 13.544 5.831 1.00 0.00 H new ATOM 0 HG3 MET A 104 -9.309 12.483 4.447 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.297 10.723 4.448 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.956 11.023 3.878 1.00 0.00 H new ATOM 0 HE3 MET A 104 -6.570 11.655 2.957 1.00 0.00 H new ATOM 1673 N ARG A 105 -9.990 12.864 1.611 1.00 0.00 N ATOM 1674 CA ARG A 105 -10.149 11.594 0.912 1.00 0.00 C ATOM 1675 C ARG A 105 -8.991 11.357 -0.053 1.00 0.00 C ATOM 1676 O ARG A 105 -8.355 12.302 -0.522 1.00 0.00 O ATOM 1677 CB ARG A 105 -11.475 11.569 0.150 1.00 0.00 C ATOM 1678 CG ARG A 105 -11.442 12.344 -1.157 1.00 0.00 C ATOM 1679 CD ARG A 105 -12.841 12.730 -1.611 1.00 0.00 C ATOM 1680 NE ARG A 105 -12.827 13.891 -2.497 1.00 0.00 N ATOM 1681 CZ ARG A 105 -13.922 14.546 -2.867 1.00 0.00 C ATOM 1682 NH1 ARG A 105 -15.111 14.156 -2.430 1.00 0.00 N ATOM 1683 NH2 ARG A 105 -13.829 15.593 -3.677 1.00 0.00 N ATOM 0 H ARG A 105 -9.286 13.483 1.208 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.150 10.796 1.655 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -11.745 10.534 -0.058 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -12.258 11.981 0.787 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -10.838 13.243 -1.033 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -10.962 11.740 -1.927 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.301 11.886 -2.126 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.458 12.946 -0.739 1.00 0.00 H new ATOM 0 HE ARG A 105 -11.928 14.217 -2.851 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -15.187 13.351 -1.808 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -15.950 14.661 -2.716 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -12.916 15.896 -4.016 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.671 16.095 -3.960 1.00 0.00 H new ATOM 1697 N LEU A 106 -8.722 10.089 -0.345 1.00 0.00 N ATOM 1698 CA LEU A 106 -7.641 9.726 -1.254 1.00 0.00 C ATOM 1699 C LEU A 106 -7.558 10.706 -2.421 1.00 0.00 C ATOM 1700 O LEU A 106 -8.356 10.641 -3.356 1.00 0.00 O ATOM 1701 CB LEU A 106 -7.846 8.305 -1.781 1.00 0.00 C ATOM 1702 CG LEU A 106 -8.346 7.278 -0.764 1.00 0.00 C ATOM 1703 CD1 LEU A 106 -8.210 5.868 -1.318 1.00 0.00 C ATOM 1704 CD2 LEU A 106 -7.588 7.413 0.548 1.00 0.00 C ATOM 0 H LEU A 106 -9.238 9.295 0.035 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.704 9.769 -0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.556 8.344 -2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.900 7.951 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.401 7.470 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.571 5.151 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.799 5.777 -2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.163 5.664 -1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.957 6.674 1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.525 7.248 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.738 8.414 0.953 1.00 0.00 H new ATOM 1716 N ARG A 107 -6.586 11.610 -2.359 1.00 0.00 N ATOM 1717 CA ARG A 107 -6.398 12.603 -3.410 1.00 0.00 C ATOM 1718 C ARG A 107 -4.985 12.529 -3.981 1.00 0.00 C ATOM 1719 O ARG A 107 -4.792 12.581 -5.196 1.00 0.00 O ATOM 1720 CB ARG A 107 -6.669 14.008 -2.869 1.00 0.00 C ATOM 1721 CG ARG A 107 -8.138 14.397 -2.891 1.00 0.00 C ATOM 1722 CD ARG A 107 -8.329 15.873 -2.581 1.00 0.00 C ATOM 1723 NE ARG A 107 -9.734 16.212 -2.373 1.00 0.00 N ATOM 1724 CZ ARG A 107 -10.217 17.445 -2.482 1.00 0.00 C ATOM 1725 NH1 ARG A 107 -9.411 18.450 -2.795 1.00 0.00 N ATOM 1726 NH2 ARG A 107 -11.507 17.674 -2.277 1.00 0.00 N ATOM 0 H ARG A 107 -5.917 11.675 -1.592 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.106 12.387 -4.210 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -6.301 14.071 -1.845 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -6.102 14.730 -3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -8.560 14.172 -3.871 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.685 13.798 -2.163 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.758 16.133 -1.690 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.930 16.470 -3.401 1.00 0.00 H new ATOM 0 HE ARG A 107 -10.380 15.461 -2.131 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.418 18.277 -2.953 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.784 19.396 -2.878 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -12.130 16.903 -2.035 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.876 18.621 -2.361 1.00 0.00 H new ATOM 1740 N TYR A 108 -4.001 12.409 -3.097 1.00 0.00 N ATOM 1741 CA TYR A 108 -2.606 12.332 -3.512 1.00 0.00 C ATOM 1742 C TYR A 108 -1.971 11.025 -3.048 1.00 0.00 C ATOM 1743 O TYR A 108 -1.443 10.920 -1.941 1.00 0.00 O ATOM 1744 CB TYR A 108 -1.819 13.520 -2.955 1.00 0.00 C ATOM 1745 CG TYR A 108 -2.508 14.850 -3.157 1.00 0.00 C ATOM 1746 CD1 TYR A 108 -2.765 15.335 -4.434 1.00 0.00 C ATOM 1747 CD2 TYR A 108 -2.903 15.623 -2.072 1.00 0.00 C ATOM 1748 CE1 TYR A 108 -3.393 16.551 -4.623 1.00 0.00 C ATOM 1749 CE2 TYR A 108 -3.533 16.839 -2.252 1.00 0.00 C ATOM 1750 CZ TYR A 108 -3.776 17.299 -3.529 1.00 0.00 C ATOM 1751 OH TYR A 108 -4.403 18.510 -3.714 1.00 0.00 O ATOM 0 H TYR A 108 -4.144 12.363 -2.088 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.576 12.363 -4.601 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.650 13.366 -1.889 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.839 13.552 -3.432 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.469 14.751 -5.293 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.714 15.267 -1.070 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.583 16.914 -5.622 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.834 17.426 -1.397 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.607 18.909 -2.843 1.00 0.00 H new ATOM 1761 N PRO A 109 -2.023 10.003 -3.915 1.00 0.00 N ATOM 1762 CA PRO A 109 -1.457 8.683 -3.618 1.00 0.00 C ATOM 1763 C PRO A 109 0.067 8.702 -3.579 1.00 0.00 C ATOM 1764 O PRO A 109 0.726 8.659 -4.619 1.00 0.00 O ATOM 1765 CB PRO A 109 -1.952 7.816 -4.778 1.00 0.00 C ATOM 1766 CG PRO A 109 -2.185 8.774 -5.895 1.00 0.00 C ATOM 1767 CD PRO A 109 -2.637 10.057 -5.252 1.00 0.00 C ATOM 0 HA PRO A 109 -1.762 8.320 -2.637 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.214 7.061 -5.051 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -2.867 7.286 -4.514 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.274 8.927 -6.474 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -2.940 8.395 -6.583 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.301 10.928 -5.814 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.724 10.116 -5.193 1.00 0.00 H new ATOM 1775 N VAL A 110 0.623 8.764 -2.373 1.00 0.00 N ATOM 1776 CA VAL A 110 2.071 8.786 -2.199 1.00 0.00 C ATOM 1777 C VAL A 110 2.757 7.844 -3.181 1.00 0.00 C ATOM 1778 O VAL A 110 2.444 6.654 -3.240 1.00 0.00 O ATOM 1779 CB VAL A 110 2.469 8.394 -0.764 1.00 0.00 C ATOM 1780 CG1 VAL A 110 3.983 8.322 -0.630 1.00 0.00 C ATOM 1781 CG2 VAL A 110 1.883 9.376 0.239 1.00 0.00 C ATOM 0 H VAL A 110 0.093 8.800 -1.502 1.00 0.00 H new ATOM 0 HA VAL A 110 2.398 9.808 -2.393 1.00 0.00 H new ATOM 0 HB VAL A 110 2.062 7.406 -0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 110 4.245 8.044 0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.374 7.576 -1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.416 9.295 -0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 110 2.175 9.083 1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 110 2.258 10.378 0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.796 9.372 0.160 1.00 0.00 H new ATOM 1791 N THR A 111 3.696 8.383 -3.953 1.00 0.00 N ATOM 1792 CA THR A 111 4.427 7.591 -4.934 1.00 0.00 C ATOM 1793 C THR A 111 5.927 7.629 -4.663 1.00 0.00 C ATOM 1794 O THR A 111 6.439 8.527 -3.995 1.00 0.00 O ATOM 1795 CB THR A 111 4.163 8.089 -6.367 1.00 0.00 C ATOM 1796 OG1 THR A 111 3.988 9.510 -6.368 1.00 0.00 O ATOM 1797 CG2 THR A 111 2.928 7.421 -6.953 1.00 0.00 C ATOM 0 H THR A 111 3.968 9.365 -3.917 1.00 0.00 H new ATOM 0 HA THR A 111 4.070 6.565 -4.842 1.00 0.00 H new ATOM 0 HB THR A 111 5.024 7.829 -6.982 1.00 0.00 H new ATOM 0 HG1 THR A 111 3.822 9.819 -7.283 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.761 7.788 -7.966 1.00 0.00 H new ATOM 0 HG22 THR A 111 3.076 6.341 -6.978 1.00 0.00 H new ATOM 0 HG23 THR A 111 2.061 7.654 -6.335 1.00 0.00 H new ATOM 1805 N PRO A 112 6.650 6.631 -5.193 1.00 0.00 N ATOM 1806 CA PRO A 112 8.102 6.528 -5.023 1.00 0.00 C ATOM 1807 C PRO A 112 8.853 7.612 -5.790 1.00 0.00 C ATOM 1808 O PRO A 112 10.026 7.873 -5.523 1.00 0.00 O ATOM 1809 CB PRO A 112 8.429 5.146 -5.593 1.00 0.00 C ATOM 1810 CG PRO A 112 7.334 4.867 -6.563 1.00 0.00 C ATOM 1811 CD PRO A 112 6.105 5.526 -6.001 1.00 0.00 C ATOM 0 HA PRO A 112 8.401 6.656 -3.983 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.403 5.140 -6.083 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.463 4.392 -4.807 1.00 0.00 H new ATOM 0 HG2 PRO A 112 7.575 5.266 -7.548 1.00 0.00 H new ATOM 0 HG3 PRO A 112 7.182 3.794 -6.682 1.00 0.00 H new ATOM 0 HD2 PRO A 112 5.448 5.891 -6.790 1.00 0.00 H new ATOM 0 HD3 PRO A 112 5.520 4.835 -5.394 1.00 0.00 H new ATOM 1819 N GLU A 113 8.170 8.238 -6.742 1.00 0.00 N ATOM 1820 CA GLU A 113 8.775 9.293 -7.547 1.00 0.00 C ATOM 1821 C GLU A 113 8.608 10.653 -6.876 1.00 0.00 C ATOM 1822 O GLU A 113 9.459 11.533 -7.010 1.00 0.00 O ATOM 1823 CB GLU A 113 8.150 9.322 -8.944 1.00 0.00 C ATOM 1824 CG GLU A 113 8.381 10.626 -9.688 1.00 0.00 C ATOM 1825 CD GLU A 113 8.377 10.447 -11.193 1.00 0.00 C ATOM 1826 OE1 GLU A 113 9.189 9.643 -11.697 1.00 0.00 O ATOM 1827 OE2 GLU A 113 7.563 11.111 -11.868 1.00 0.00 O ATOM 0 H GLU A 113 7.198 8.034 -6.975 1.00 0.00 H new ATOM 0 HA GLU A 113 9.840 9.079 -7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.559 8.501 -9.533 1.00 0.00 H new ATOM 0 HB3 GLU A 113 7.077 9.149 -8.856 1.00 0.00 H new ATOM 0 HG2 GLU A 113 7.607 11.341 -9.409 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.335 11.052 -9.379 1.00 0.00 H new ATOM 1834 N LEU A 114 7.506 10.818 -6.153 1.00 0.00 N ATOM 1835 CA LEU A 114 7.226 12.071 -5.460 1.00 0.00 C ATOM 1836 C LEU A 114 8.245 12.321 -4.353 1.00 0.00 C ATOM 1837 O LEU A 114 8.868 13.382 -4.296 1.00 0.00 O ATOM 1838 CB LEU A 114 5.814 12.047 -4.872 1.00 0.00 C ATOM 1839 CG LEU A 114 5.337 13.344 -4.217 1.00 0.00 C ATOM 1840 CD1 LEU A 114 4.666 14.244 -5.243 1.00 0.00 C ATOM 1841 CD2 LEU A 114 4.387 13.043 -3.067 1.00 0.00 C ATOM 0 H LEU A 114 6.792 10.100 -6.031 1.00 0.00 H new ATOM 0 HA LEU A 114 7.298 12.882 -6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 114 5.115 11.787 -5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.764 11.250 -4.131 1.00 0.00 H new ATOM 0 HG LEU A 114 6.205 13.867 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.333 15.162 -4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.376 14.487 -6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.807 13.728 -5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 114 4.058 13.978 -2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.521 12.498 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.900 12.438 -2.320 1.00 0.00 H new ATOM 1853 N LEU A 115 8.413 11.336 -3.477 1.00 0.00 N ATOM 1854 CA LEU A 115 9.360 11.448 -2.373 1.00 0.00 C ATOM 1855 C LEU A 115 10.684 12.038 -2.848 1.00 0.00 C ATOM 1856 O LEU A 115 11.244 12.927 -2.207 1.00 0.00 O ATOM 1857 CB LEU A 115 9.598 10.077 -1.739 1.00 0.00 C ATOM 1858 CG LEU A 115 8.658 9.694 -0.595 1.00 0.00 C ATOM 1859 CD1 LEU A 115 8.905 10.579 0.617 1.00 0.00 C ATOM 1860 CD2 LEU A 115 7.207 9.791 -1.042 1.00 0.00 C ATOM 0 H LEU A 115 7.906 10.451 -3.510 1.00 0.00 H new ATOM 0 HA LEU A 115 8.932 12.118 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.517 9.319 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.622 10.044 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 115 8.862 8.661 -0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.227 10.292 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.936 10.459 0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.729 11.621 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.552 9.515 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.989 10.813 -1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.038 9.114 -1.880 1.00 0.00 H new ATOM 1872 N GLU A 116 11.178 11.538 -3.977 1.00 0.00 N ATOM 1873 CA GLU A 116 12.435 12.017 -4.538 1.00 0.00 C ATOM 1874 C GLU A 116 12.285 13.438 -5.076 1.00 0.00 C ATOM 1875 O GLU A 116 13.125 14.301 -4.821 1.00 0.00 O ATOM 1876 CB GLU A 116 12.909 11.085 -5.655 1.00 0.00 C ATOM 1877 CG GLU A 116 13.284 9.695 -5.170 1.00 0.00 C ATOM 1878 CD GLU A 116 14.602 9.675 -4.420 1.00 0.00 C ATOM 1879 OE1 GLU A 116 15.639 9.998 -5.036 1.00 0.00 O ATOM 1880 OE2 GLU A 116 14.596 9.336 -3.218 1.00 0.00 O ATOM 0 H GLU A 116 10.727 10.802 -4.520 1.00 0.00 H new ATOM 0 HA GLU A 116 13.179 12.025 -3.741 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.121 10.999 -6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.771 11.533 -6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.495 9.316 -4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 116 13.346 9.021 -6.024 1.00 0.00 H new ATOM 1887 N ARG A 117 11.209 13.671 -5.821 1.00 0.00 N ATOM 1888 CA ARG A 117 10.949 14.986 -6.396 1.00 0.00 C ATOM 1889 C ARG A 117 10.729 16.025 -5.300 1.00 0.00 C ATOM 1890 O ARG A 117 10.919 17.221 -5.518 1.00 0.00 O ATOM 1891 CB ARG A 117 9.728 14.931 -7.315 1.00 0.00 C ATOM 1892 CG ARG A 117 9.173 16.300 -7.673 1.00 0.00 C ATOM 1893 CD ARG A 117 8.418 16.267 -8.993 1.00 0.00 C ATOM 1894 NE ARG A 117 8.034 17.604 -9.437 1.00 0.00 N ATOM 1895 CZ ARG A 117 7.368 17.842 -10.561 1.00 0.00 C ATOM 1896 NH1 ARG A 117 7.014 16.838 -11.351 1.00 0.00 N ATOM 1897 NH2 ARG A 117 7.054 19.087 -10.897 1.00 0.00 N ATOM 0 H ARG A 117 10.504 12.967 -6.040 1.00 0.00 H new ATOM 0 HA ARG A 117 11.822 15.279 -6.980 1.00 0.00 H new ATOM 0 HB2 ARG A 117 9.997 14.406 -8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.946 14.346 -6.831 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.508 16.643 -6.881 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.989 17.019 -7.737 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.040 15.797 -9.755 1.00 0.00 H new ATOM 0 HD3 ARG A 117 7.526 15.651 -8.885 1.00 0.00 H new ATOM 0 HE ARG A 117 8.291 18.399 -8.852 1.00 0.00 H new ATOM 0 HH11 ARG A 117 7.253 15.880 -11.096 1.00 0.00 H new ATOM 0 HH12 ARG A 117 6.502 17.024 -12.214 1.00 0.00 H new ATOM 0 HH21 ARG A 117 7.324 19.862 -10.292 1.00 0.00 H new ATOM 0 HH22 ARG A 117 6.542 19.269 -11.761 1.00 0.00 H new ATOM 1911 N TYR A 118 10.327 15.559 -4.123 1.00 0.00 N ATOM 1912 CA TYR A 118 10.078 16.448 -2.994 1.00 0.00 C ATOM 1913 C TYR A 118 11.277 16.480 -2.051 1.00 0.00 C ATOM 1914 O TYR A 118 11.170 16.923 -0.908 1.00 0.00 O ATOM 1915 CB TYR A 118 8.828 16.002 -2.233 1.00 0.00 C ATOM 1916 CG TYR A 118 7.538 16.497 -2.846 1.00 0.00 C ATOM 1917 CD1 TYR A 118 7.400 16.616 -4.223 1.00 0.00 C ATOM 1918 CD2 TYR A 118 6.456 16.846 -2.047 1.00 0.00 C ATOM 1919 CE1 TYR A 118 6.223 17.068 -4.788 1.00 0.00 C ATOM 1920 CE2 TYR A 118 5.274 17.298 -2.603 1.00 0.00 C ATOM 1921 CZ TYR A 118 5.163 17.407 -3.973 1.00 0.00 C ATOM 1922 OH TYR A 118 3.988 17.858 -4.530 1.00 0.00 O ATOM 0 H TYR A 118 10.167 14.571 -3.926 1.00 0.00 H new ATOM 0 HA TYR A 118 9.919 17.453 -3.384 1.00 0.00 H new ATOM 0 HB2 TYR A 118 8.807 14.913 -2.192 1.00 0.00 H new ATOM 0 HB3 TYR A 118 8.892 16.358 -1.205 1.00 0.00 H new ATOM 0 HD1 TYR A 118 8.228 16.350 -4.864 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.540 16.763 -0.974 1.00 0.00 H new ATOM 0 HE1 TYR A 118 6.133 17.155 -5.861 1.00 0.00 H new ATOM 0 HE2 TYR A 118 4.442 17.564 -1.968 1.00 0.00 H new ATOM 0 HH TYR A 118 3.342 18.052 -3.819 1.00 0.00 H new ATOM 1932 N SER A 119 12.419 16.007 -2.540 1.00 0.00 N ATOM 1933 CA SER A 119 13.639 15.979 -1.742 1.00 0.00 C ATOM 1934 C SER A 119 14.874 15.983 -2.637 1.00 0.00 C ATOM 1935 O SER A 119 15.113 15.040 -3.389 1.00 0.00 O ATOM 1936 CB SER A 119 13.653 14.743 -0.839 1.00 0.00 C ATOM 1937 OG SER A 119 14.843 14.687 -0.071 1.00 0.00 O ATOM 0 H SER A 119 12.525 15.638 -3.485 1.00 0.00 H new ATOM 0 HA SER A 119 13.659 16.875 -1.121 1.00 0.00 H new ATOM 0 HB2 SER A 119 12.789 14.764 -0.175 1.00 0.00 H new ATOM 0 HB3 SER A 119 13.566 13.843 -1.448 1.00 0.00 H new ATOM 0 HG SER A 119 14.985 13.771 0.246 1.00 0.00 H new