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 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 101 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 58 THR OG1 : rot -103:sc= 1.3 USER MOD Set 2.2: A 67 HIS : no HD1:sc= -1.53 K(o=-0.23,f=-7.5!) USER MOD Set 3.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 34 MET CE :methyl -151:sc= -0.68 (180deg=-1.65) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -2.29 X(o=-2.3,f=-1.9) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 145:sc= 0.00312 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 170:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 76 HIS : no HD1:sc= -3.55! C(o=-3.5!,f=-3.3!) 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 -170:sc= -0.0338 USER MOD Single : A 93 SER OG : rot -12:sc= 0.245 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot -5:sc= -1.17! USER MOD Single : A 97 LYS NZ :NH3+ -156:sc= -0.055 (180deg=-0.433) USER MOD Single : A 98 HIS : no HE2:sc= -0.0405 X(o=-0.04,f=-0.05) USER MOD Single : A 103 LYS NZ :NH3+ -161:sc= -0.0318 (180deg=-0.276) USER MOD Single : A 104 MET CE :methyl 153:sc= -0.0398 (180deg=-0.76) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.871 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N ASN A 14 -3.152 -9.417 -9.893 1.00 0.00 N ATOM 151 CA ASN A 14 -2.885 -8.476 -8.811 1.00 0.00 C ATOM 152 C ASN A 14 -2.291 -7.179 -9.353 1.00 0.00 C ATOM 153 O ASN A 14 -1.079 -7.046 -9.524 1.00 0.00 O ATOM 154 CB ASN A 14 -1.933 -9.098 -7.788 1.00 0.00 C ATOM 155 CG ASN A 14 -2.466 -10.397 -7.217 1.00 0.00 C ATOM 156 OD1 ASN A 14 -1.859 -11.456 -7.380 1.00 0.00 O ATOM 157 ND2 ASN A 14 -3.608 -10.323 -6.544 1.00 0.00 N ATOM 0 HA ASN A 14 -3.831 -8.245 -8.322 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.967 -9.281 -8.259 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.763 -8.390 -6.977 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.016 -11.165 -6.138 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.077 -9.424 -6.433 1.00 0.00 H new ATOM 164 N PRO A 15 -3.164 -6.199 -9.629 1.00 0.00 N ATOM 165 CA PRO A 15 -2.749 -4.894 -10.155 1.00 0.00 C ATOM 166 C PRO A 15 -1.995 -4.066 -9.120 1.00 0.00 C ATOM 167 O PRO A 15 -0.944 -3.496 -9.412 1.00 0.00 O ATOM 168 CB PRO A 15 -4.074 -4.220 -10.518 1.00 0.00 C ATOM 169 CG PRO A 15 -5.083 -4.868 -9.634 1.00 0.00 C ATOM 170 CD PRO A 15 -4.623 -6.287 -9.450 1.00 0.00 C ATOM 0 HA PRO A 15 -2.062 -4.993 -10.995 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.031 -3.144 -10.347 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.317 -4.366 -11.570 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.151 -4.353 -8.676 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.075 -4.835 -10.085 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.884 -6.669 -8.463 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.078 -6.955 -10.181 1.00 0.00 H new ATOM 178 N HIS A 16 -2.539 -4.003 -7.909 1.00 0.00 N ATOM 179 CA HIS A 16 -1.917 -3.244 -6.829 1.00 0.00 C ATOM 180 C HIS A 16 -0.424 -3.545 -6.744 1.00 0.00 C ATOM 181 O HIS A 16 0.378 -2.666 -6.432 1.00 0.00 O ATOM 182 CB HIS A 16 -2.591 -3.568 -5.496 1.00 0.00 C ATOM 183 CG HIS A 16 -2.941 -5.016 -5.337 1.00 0.00 C ATOM 184 ND1 HIS A 16 -2.010 -5.985 -5.027 1.00 0.00 N ATOM 185 CD2 HIS A 16 -4.128 -5.657 -5.445 1.00 0.00 C ATOM 186 CE1 HIS A 16 -2.609 -7.160 -4.953 1.00 0.00 C ATOM 187 NE2 HIS A 16 -3.895 -6.988 -5.202 1.00 0.00 N ATOM 0 H HIS A 16 -3.409 -4.468 -7.651 1.00 0.00 H new ATOM 0 HA HIS A 16 -2.044 -2.183 -7.043 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.929 -3.271 -4.682 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -3.498 -2.971 -5.403 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.081 -5.206 -5.679 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.129 -8.101 -4.727 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.600 -7.725 -5.212 1.00 0.00 H new ATOM 196 N GLU A 17 -0.060 -4.793 -7.024 1.00 0.00 N ATOM 197 CA GLU A 17 1.337 -5.209 -6.977 1.00 0.00 C ATOM 198 C GLU A 17 2.181 -4.391 -7.950 1.00 0.00 C ATOM 199 O GLU A 17 3.341 -4.081 -7.674 1.00 0.00 O ATOM 200 CB GLU A 17 1.460 -6.698 -7.305 1.00 0.00 C ATOM 201 CG GLU A 17 1.113 -7.609 -6.140 1.00 0.00 C ATOM 202 CD GLU A 17 1.534 -9.046 -6.377 1.00 0.00 C ATOM 203 OE1 GLU A 17 2.729 -9.276 -6.656 1.00 0.00 O ATOM 204 OE2 GLU A 17 0.668 -9.941 -6.283 1.00 0.00 O ATOM 0 H GLU A 17 -0.712 -5.532 -7.285 1.00 0.00 H new ATOM 0 HA GLU A 17 1.708 -5.035 -5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.806 -6.931 -8.145 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.480 -6.907 -7.627 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.596 -7.237 -5.237 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.038 -7.574 -5.964 1.00 0.00 H new ATOM 211 N SER A 18 1.591 -4.044 -9.089 1.00 0.00 N ATOM 212 CA SER A 18 2.289 -3.266 -10.106 1.00 0.00 C ATOM 213 C SER A 18 1.792 -1.823 -10.123 1.00 0.00 C ATOM 214 O SER A 18 1.713 -1.193 -11.178 1.00 0.00 O ATOM 215 CB SER A 18 2.097 -3.900 -11.485 1.00 0.00 C ATOM 216 OG SER A 18 2.922 -5.041 -11.640 1.00 0.00 O ATOM 0 H SER A 18 0.631 -4.289 -9.331 1.00 0.00 H new ATOM 0 HA SER A 18 3.351 -3.263 -9.860 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.052 -4.182 -11.617 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.331 -3.170 -12.260 1.00 0.00 H new ATOM 0 HG SER A 18 2.780 -5.429 -12.529 1.00 0.00 H new ATOM 222 N LYS A 19 1.456 -1.306 -8.946 1.00 0.00 N ATOM 223 CA LYS A 19 0.967 0.062 -8.822 1.00 0.00 C ATOM 224 C LYS A 19 2.008 0.954 -8.154 1.00 0.00 C ATOM 225 O LYS A 19 2.866 0.491 -7.402 1.00 0.00 O ATOM 226 CB LYS A 19 -0.335 0.089 -8.018 1.00 0.00 C ATOM 227 CG LYS A 19 -1.543 -0.396 -8.800 1.00 0.00 C ATOM 228 CD LYS A 19 -1.966 0.612 -9.855 1.00 0.00 C ATOM 229 CE LYS A 19 -3.337 0.281 -10.425 1.00 0.00 C ATOM 230 NZ LYS A 19 -3.243 -0.614 -11.611 1.00 0.00 N ATOM 0 H LYS A 19 1.514 -1.814 -8.064 1.00 0.00 H new ATOM 0 HA LYS A 19 0.776 0.445 -9.824 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.216 -0.530 -7.129 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.519 1.107 -7.675 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.310 -1.348 -9.278 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.372 -0.577 -8.116 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.984 1.611 -9.419 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.231 0.628 -10.659 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.944 -0.197 -9.656 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.846 1.203 -10.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.198 -0.816 -11.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.685 -0.148 -12.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.780 -1.504 -11.338 1.00 0.00 H new ATOM 244 N PRO A 20 1.932 2.264 -8.432 1.00 0.00 N ATOM 245 CA PRO A 20 2.860 3.248 -7.866 1.00 0.00 C ATOM 246 C PRO A 20 2.646 3.453 -6.370 1.00 0.00 C ATOM 247 O PRO A 20 3.604 3.551 -5.604 1.00 0.00 O ATOM 248 CB PRO A 20 2.529 4.530 -8.634 1.00 0.00 C ATOM 249 CG PRO A 20 1.114 4.357 -9.068 1.00 0.00 C ATOM 250 CD PRO A 20 0.935 2.885 -9.320 1.00 0.00 C ATOM 0 HA PRO A 20 3.899 2.932 -7.964 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.644 5.411 -8.002 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.192 4.662 -9.489 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.425 4.708 -8.300 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.909 4.935 -9.969 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.076 2.556 -9.081 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.114 2.631 -10.365 1.00 0.00 H new ATOM 258 N TRP A 21 1.384 3.516 -5.961 1.00 0.00 N ATOM 259 CA TRP A 21 1.045 3.709 -4.556 1.00 0.00 C ATOM 260 C TRP A 21 1.069 2.383 -3.803 1.00 0.00 C ATOM 261 O TRP A 21 0.445 2.245 -2.751 1.00 0.00 O ATOM 262 CB TRP A 21 -0.335 4.357 -4.427 1.00 0.00 C ATOM 263 CG TRP A 21 -1.334 3.827 -5.411 1.00 0.00 C ATOM 264 CD1 TRP A 21 -1.708 4.404 -6.591 1.00 0.00 C ATOM 265 CD2 TRP A 21 -2.088 2.615 -5.298 1.00 0.00 C ATOM 266 NE1 TRP A 21 -2.649 3.624 -7.218 1.00 0.00 N ATOM 267 CE2 TRP A 21 -2.898 2.520 -6.446 1.00 0.00 C ATOM 268 CE3 TRP A 21 -2.155 1.599 -4.341 1.00 0.00 C ATOM 269 CZ2 TRP A 21 -3.765 1.451 -6.659 1.00 0.00 C ATOM 270 CZ3 TRP A 21 -3.016 0.539 -4.553 1.00 0.00 C ATOM 271 CH2 TRP A 21 -3.810 0.471 -5.705 1.00 0.00 C ATOM 0 H TRP A 21 0.579 3.436 -6.582 1.00 0.00 H new ATOM 0 HA TRP A 21 1.792 4.370 -4.116 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -0.711 4.197 -3.416 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -0.237 5.434 -4.564 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.321 5.336 -6.975 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.091 3.833 -8.113 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.545 1.641 -3.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.380 1.397 -7.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -3.078 -0.250 -3.818 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.471 -0.372 -5.843 1.00 0.00 H new ATOM 282 N TYR A 22 1.794 1.413 -4.347 1.00 0.00 N ATOM 283 CA TYR A 22 1.898 0.097 -3.727 1.00 0.00 C ATOM 284 C TYR A 22 3.290 -0.121 -3.142 1.00 0.00 C ATOM 285 O TYR A 22 4.268 0.473 -3.598 1.00 0.00 O ATOM 286 CB TYR A 22 1.585 -0.998 -4.749 1.00 0.00 C ATOM 287 CG TYR A 22 1.625 -2.394 -4.171 1.00 0.00 C ATOM 288 CD1 TYR A 22 0.517 -2.934 -3.530 1.00 0.00 C ATOM 289 CD2 TYR A 22 2.771 -3.174 -4.266 1.00 0.00 C ATOM 290 CE1 TYR A 22 0.549 -4.209 -2.999 1.00 0.00 C ATOM 291 CE2 TYR A 22 2.812 -4.451 -3.740 1.00 0.00 C ATOM 292 CZ TYR A 22 1.699 -4.964 -3.108 1.00 0.00 C ATOM 293 OH TYR A 22 1.736 -6.235 -2.582 1.00 0.00 O ATOM 0 H TYR A 22 2.319 1.513 -5.216 1.00 0.00 H new ATOM 0 HA TYR A 22 1.171 0.047 -2.917 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.597 -0.817 -5.172 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.300 -0.933 -5.569 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.385 -2.347 -3.445 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.645 -2.775 -4.760 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.321 -4.612 -2.502 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.711 -5.044 -3.823 1.00 0.00 H new ATOM 0 HH TYR A 22 2.618 -6.631 -2.745 1.00 0.00 H new ATOM 303 N TYR A 23 3.372 -0.978 -2.131 1.00 0.00 N ATOM 304 CA TYR A 23 4.643 -1.274 -1.481 1.00 0.00 C ATOM 305 C TYR A 23 4.647 -2.690 -0.913 1.00 0.00 C ATOM 306 O TYR A 23 3.670 -3.132 -0.309 1.00 0.00 O ATOM 307 CB TYR A 23 4.917 -0.265 -0.365 1.00 0.00 C ATOM 308 CG TYR A 23 5.239 1.124 -0.870 1.00 0.00 C ATOM 309 CD1 TYR A 23 6.483 1.414 -1.417 1.00 0.00 C ATOM 310 CD2 TYR A 23 4.300 2.145 -0.801 1.00 0.00 C ATOM 311 CE1 TYR A 23 6.782 2.681 -1.879 1.00 0.00 C ATOM 312 CE2 TYR A 23 4.590 3.414 -1.262 1.00 0.00 C ATOM 313 CZ TYR A 23 5.832 3.678 -1.800 1.00 0.00 C ATOM 314 OH TYR A 23 6.125 4.941 -2.259 1.00 0.00 O ATOM 0 H TYR A 23 2.573 -1.480 -1.744 1.00 0.00 H new ATOM 0 HA TYR A 23 5.431 -1.199 -2.230 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.046 -0.212 0.288 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.748 -0.624 0.242 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.229 0.636 -1.482 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.326 1.943 -0.380 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.754 2.890 -2.300 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.848 4.196 -1.201 1.00 0.00 H new ATOM 0 HH TYR A 23 5.348 5.524 -2.131 1.00 0.00 H new ATOM 324 N ASP A 24 5.755 -3.397 -1.111 1.00 0.00 N ATOM 325 CA ASP A 24 5.889 -4.763 -0.618 1.00 0.00 C ATOM 326 C ASP A 24 6.911 -4.834 0.512 1.00 0.00 C ATOM 327 O ASP A 24 6.721 -5.558 1.490 1.00 0.00 O ATOM 328 CB ASP A 24 6.301 -5.699 -1.754 1.00 0.00 C ATOM 329 CG ASP A 24 6.461 -7.135 -1.292 1.00 0.00 C ATOM 330 OD1 ASP A 24 5.441 -7.851 -1.218 1.00 0.00 O ATOM 331 OD2 ASP A 24 7.606 -7.541 -1.004 1.00 0.00 O ATOM 0 H ASP A 24 6.573 -3.046 -1.609 1.00 0.00 H new ATOM 0 HA ASP A 24 4.921 -5.080 -0.229 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.553 -5.656 -2.546 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.240 -5.352 -2.184 1.00 0.00 H new ATOM 336 N ARG A 25 7.996 -4.079 0.371 1.00 0.00 N ATOM 337 CA ARG A 25 9.049 -4.059 1.379 1.00 0.00 C ATOM 338 C ARG A 25 8.797 -2.959 2.406 1.00 0.00 C ATOM 339 O ARG A 25 9.069 -3.131 3.595 1.00 0.00 O ATOM 340 CB ARG A 25 10.413 -3.852 0.718 1.00 0.00 C ATOM 341 CG ARG A 25 10.840 -5.008 -0.172 1.00 0.00 C ATOM 342 CD ARG A 25 11.869 -4.567 -1.202 1.00 0.00 C ATOM 343 NE ARG A 25 13.182 -4.342 -0.603 1.00 0.00 N ATOM 344 CZ ARG A 25 14.293 -4.172 -1.310 1.00 0.00 C ATOM 345 NH1 ARG A 25 14.250 -4.200 -2.635 1.00 0.00 N ATOM 346 NH2 ARG A 25 15.450 -3.971 -0.692 1.00 0.00 N ATOM 0 H ARG A 25 8.169 -3.473 -0.431 1.00 0.00 H new ATOM 0 HA ARG A 25 9.044 -5.020 1.893 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.385 -2.938 0.124 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.165 -3.705 1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.257 -5.807 0.442 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.968 -5.419 -0.680 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.951 -5.326 -1.980 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.529 -3.651 -1.685 1.00 0.00 H new ATOM 0 HE ARG A 25 13.249 -4.314 0.414 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.362 -4.352 -3.113 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.105 -4.069 -3.176 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.486 -3.947 0.327 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.303 -3.841 -1.236 1.00 0.00 H new ATOM 360 N LEU A 26 8.277 -1.829 1.940 1.00 0.00 N ATOM 361 CA LEU A 26 7.989 -0.700 2.817 1.00 0.00 C ATOM 362 C LEU A 26 7.456 -1.179 4.164 1.00 0.00 C ATOM 363 O LEU A 26 6.778 -2.204 4.245 1.00 0.00 O ATOM 364 CB LEU A 26 6.975 0.237 2.159 1.00 0.00 C ATOM 365 CG LEU A 26 6.843 1.628 2.782 1.00 0.00 C ATOM 366 CD1 LEU A 26 8.071 2.470 2.472 1.00 0.00 C ATOM 367 CD2 LEU A 26 5.581 2.317 2.284 1.00 0.00 C ATOM 0 H LEU A 26 8.046 -1.670 0.959 1.00 0.00 H new ATOM 0 HA LEU A 26 8.919 -0.157 2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.247 0.355 1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.997 -0.244 2.183 1.00 0.00 H new ATOM 0 HG LEU A 26 6.769 1.516 3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.959 3.456 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.958 1.983 2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.177 2.575 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.503 3.305 2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.625 2.418 1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.710 1.722 2.558 1.00 0.00 H new ATOM 379 N SER A 27 7.764 -0.430 5.217 1.00 0.00 N ATOM 380 CA SER A 27 7.318 -0.779 6.561 1.00 0.00 C ATOM 381 C SER A 27 6.871 0.464 7.325 1.00 0.00 C ATOM 382 O SER A 27 7.199 1.589 6.948 1.00 0.00 O ATOM 383 CB SER A 27 8.437 -1.486 7.326 1.00 0.00 C ATOM 384 OG SER A 27 7.934 -2.140 8.478 1.00 0.00 O ATOM 0 H SER A 27 8.321 0.423 5.166 1.00 0.00 H new ATOM 0 HA SER A 27 6.467 -1.454 6.470 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.924 -2.212 6.675 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.196 -0.761 7.618 1.00 0.00 H new ATOM 0 HG SER A 27 8.669 -2.586 8.948 1.00 0.00 H new ATOM 390 N ARG A 28 6.120 0.252 8.400 1.00 0.00 N ATOM 391 CA ARG A 28 5.626 1.354 9.217 1.00 0.00 C ATOM 392 C ARG A 28 6.737 2.361 9.499 1.00 0.00 C ATOM 393 O ARG A 28 6.505 3.570 9.508 1.00 0.00 O ATOM 394 CB ARG A 28 5.056 0.825 10.535 1.00 0.00 C ATOM 395 CG ARG A 28 6.072 0.071 11.379 1.00 0.00 C ATOM 396 CD ARG A 28 5.510 -0.275 12.749 1.00 0.00 C ATOM 397 NE ARG A 28 6.434 -1.094 13.528 1.00 0.00 N ATOM 398 CZ ARG A 28 6.397 -1.186 14.853 1.00 0.00 C ATOM 399 NH1 ARG A 28 5.487 -0.512 15.542 1.00 0.00 N ATOM 400 NH2 ARG A 28 7.273 -1.952 15.490 1.00 0.00 N ATOM 0 H ARG A 28 5.840 -0.673 8.726 1.00 0.00 H new ATOM 0 HA ARG A 28 4.834 1.858 8.663 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.665 1.662 11.114 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.215 0.166 10.319 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.368 -0.843 10.864 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.971 0.676 11.495 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.292 0.643 13.294 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.566 -0.807 12.630 1.00 0.00 H new ATOM 0 HE ARG A 28 7.147 -1.625 13.028 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.813 0.079 15.055 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.461 -0.584 16.559 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.975 -2.471 14.963 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.244 -2.022 16.507 1.00 0.00 H new ATOM 414 N GLY A 29 7.944 1.855 9.730 1.00 0.00 N ATOM 415 CA GLY A 29 9.072 2.724 10.010 1.00 0.00 C ATOM 416 C GLY A 29 9.228 3.822 8.978 1.00 0.00 C ATOM 417 O GLY A 29 9.479 4.976 9.324 1.00 0.00 O ATOM 0 H GLY A 29 8.161 0.858 9.728 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.946 3.172 10.996 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.985 2.129 10.044 1.00 0.00 H new ATOM 421 N GLU A 30 9.081 3.463 7.706 1.00 0.00 N ATOM 422 CA GLU A 30 9.210 4.427 6.621 1.00 0.00 C ATOM 423 C GLU A 30 7.850 5.010 6.246 1.00 0.00 C ATOM 424 O GLU A 30 7.687 6.226 6.155 1.00 0.00 O ATOM 425 CB GLU A 30 9.849 3.769 5.397 1.00 0.00 C ATOM 426 CG GLU A 30 11.292 3.345 5.618 1.00 0.00 C ATOM 427 CD GLU A 30 11.837 2.514 4.472 1.00 0.00 C ATOM 428 OE1 GLU A 30 11.398 1.356 4.317 1.00 0.00 O ATOM 429 OE2 GLU A 30 12.704 3.024 3.731 1.00 0.00 O ATOM 0 H GLU A 30 8.873 2.512 7.403 1.00 0.00 H new ATOM 0 HA GLU A 30 9.852 5.238 6.965 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.261 2.895 5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.808 4.464 4.558 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.912 4.232 5.746 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.361 2.772 6.543 1.00 0.00 H new ATOM 436 N ALA A 31 6.876 4.132 6.030 1.00 0.00 N ATOM 437 CA ALA A 31 5.530 4.558 5.667 1.00 0.00 C ATOM 438 C ALA A 31 5.177 5.885 6.329 1.00 0.00 C ATOM 439 O ALA A 31 4.920 6.878 5.651 1.00 0.00 O ATOM 440 CB ALA A 31 4.517 3.488 6.049 1.00 0.00 C ATOM 0 H ALA A 31 6.994 3.121 6.100 1.00 0.00 H new ATOM 0 HA ALA A 31 5.500 4.702 4.587 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.516 3.819 5.772 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.751 2.562 5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.558 3.316 7.125 1.00 0.00 H new ATOM 446 N GLU A 32 5.164 5.892 7.659 1.00 0.00 N ATOM 447 CA GLU A 32 4.840 7.098 8.412 1.00 0.00 C ATOM 448 C GLU A 32 5.722 8.265 7.976 1.00 0.00 C ATOM 449 O GLU A 32 5.226 9.343 7.647 1.00 0.00 O ATOM 450 CB GLU A 32 5.009 6.850 9.912 1.00 0.00 C ATOM 451 CG GLU A 32 3.931 5.959 10.507 1.00 0.00 C ATOM 452 CD GLU A 32 4.155 5.675 11.979 1.00 0.00 C ATOM 453 OE1 GLU A 32 5.161 5.011 12.308 1.00 0.00 O ATOM 454 OE2 GLU A 32 3.326 6.115 12.802 1.00 0.00 O ATOM 0 H GLU A 32 5.374 5.077 8.236 1.00 0.00 H new ATOM 0 HA GLU A 32 3.800 7.354 8.208 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.983 6.395 10.089 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.005 7.808 10.433 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.959 6.435 10.377 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.901 5.017 9.960 1.00 0.00 H new ATOM 461 N ASP A 33 7.031 8.042 7.978 1.00 0.00 N ATOM 462 CA ASP A 33 7.983 9.074 7.583 1.00 0.00 C ATOM 463 C ASP A 33 7.581 9.703 6.252 1.00 0.00 C ATOM 464 O ASP A 33 7.421 10.919 6.153 1.00 0.00 O ATOM 465 CB ASP A 33 9.391 8.486 7.479 1.00 0.00 C ATOM 466 CG ASP A 33 10.471 9.543 7.606 1.00 0.00 C ATOM 467 OD1 ASP A 33 10.247 10.679 7.138 1.00 0.00 O ATOM 468 OD2 ASP A 33 11.539 9.234 8.174 1.00 0.00 O ATOM 0 H ASP A 33 7.458 7.156 8.249 1.00 0.00 H new ATOM 0 HA ASP A 33 7.978 9.851 8.348 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.527 7.736 8.259 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.498 7.974 6.523 1.00 0.00 H new ATOM 473 N MET A 34 7.422 8.866 5.232 1.00 0.00 N ATOM 474 CA MET A 34 7.039 9.341 3.907 1.00 0.00 C ATOM 475 C MET A 34 5.930 10.384 4.003 1.00 0.00 C ATOM 476 O MET A 34 6.054 11.487 3.469 1.00 0.00 O ATOM 477 CB MET A 34 6.579 8.170 3.036 1.00 0.00 C ATOM 478 CG MET A 34 7.653 7.116 2.820 1.00 0.00 C ATOM 479 SD MET A 34 6.968 5.462 2.600 1.00 0.00 S ATOM 480 CE MET A 34 6.333 5.578 0.929 1.00 0.00 C ATOM 0 H MET A 34 7.552 7.856 5.297 1.00 0.00 H new ATOM 0 HA MET A 34 7.912 9.806 3.448 1.00 0.00 H new ATOM 0 HB2 MET A 34 5.710 7.702 3.499 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.257 8.553 2.068 1.00 0.00 H new ATOM 0 HG2 MET A 34 8.244 7.380 1.943 1.00 0.00 H new ATOM 0 HG3 MET A 34 8.331 7.114 3.673 1.00 0.00 H new ATOM 0 HE1 MET A 34 5.480 4.909 0.817 1.00 0.00 H new ATOM 0 HE2 MET A 34 6.019 6.603 0.729 1.00 0.00 H new ATOM 0 HE3 MET A 34 7.113 5.293 0.223 1.00 0.00 H new ATOM 490 N LEU A 35 4.848 10.030 4.687 1.00 0.00 N ATOM 491 CA LEU A 35 3.717 10.936 4.853 1.00 0.00 C ATOM 492 C LEU A 35 4.158 12.244 5.501 1.00 0.00 C ATOM 493 O LEU A 35 3.930 13.325 4.958 1.00 0.00 O ATOM 494 CB LEU A 35 2.628 10.275 5.701 1.00 0.00 C ATOM 495 CG LEU A 35 1.613 9.420 4.941 1.00 0.00 C ATOM 496 CD1 LEU A 35 0.894 10.253 3.891 1.00 0.00 C ATOM 497 CD2 LEU A 35 2.298 8.223 4.298 1.00 0.00 C ATOM 0 H LEU A 35 4.730 9.122 5.136 1.00 0.00 H new ATOM 0 HA LEU A 35 3.314 11.159 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.110 9.649 6.452 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.087 11.056 6.236 1.00 0.00 H new ATOM 0 HG LEU A 35 0.873 9.051 5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.176 9.628 3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.370 11.076 4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.620 10.652 3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.560 7.626 3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.060 8.571 3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.766 7.613 5.071 1.00 0.00 H new ATOM 509 N MET A 36 4.791 12.138 6.665 1.00 0.00 N ATOM 510 CA MET A 36 5.267 13.313 7.385 1.00 0.00 C ATOM 511 C MET A 36 5.866 14.335 6.424 1.00 0.00 C ATOM 512 O MET A 36 5.671 15.540 6.584 1.00 0.00 O ATOM 513 CB MET A 36 6.307 12.909 8.432 1.00 0.00 C ATOM 514 CG MET A 36 5.797 11.887 9.434 1.00 0.00 C ATOM 515 SD MET A 36 6.583 12.044 11.049 1.00 0.00 S ATOM 516 CE MET A 36 5.280 11.441 12.120 1.00 0.00 C ATOM 0 H MET A 36 4.986 11.251 7.129 1.00 0.00 H new ATOM 0 HA MET A 36 4.414 13.770 7.887 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.182 12.503 7.925 1.00 0.00 H new ATOM 0 HB3 MET A 36 6.635 13.799 8.969 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.719 12.001 9.547 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.972 10.884 9.045 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.615 11.476 13.156 1.00 0.00 H new ATOM 0 HE2 MET A 36 4.395 12.066 12.004 1.00 0.00 H new ATOM 0 HE3 MET A 36 5.036 10.413 11.853 1.00 0.00 H new ATOM 526 N ARG A 37 6.595 13.845 5.426 1.00 0.00 N ATOM 527 CA ARG A 37 7.223 14.717 4.440 1.00 0.00 C ATOM 528 C ARG A 37 6.176 15.345 3.525 1.00 0.00 C ATOM 529 O ARG A 37 6.231 16.540 3.232 1.00 0.00 O ATOM 530 CB ARG A 37 8.238 13.931 3.608 1.00 0.00 C ATOM 531 CG ARG A 37 9.496 13.558 4.375 1.00 0.00 C ATOM 532 CD ARG A 37 10.240 12.415 3.702 1.00 0.00 C ATOM 533 NE ARG A 37 11.552 12.189 4.301 1.00 0.00 N ATOM 534 CZ ARG A 37 12.563 11.612 3.661 1.00 0.00 C ATOM 535 NH1 ARG A 37 12.413 11.206 2.408 1.00 0.00 N ATOM 536 NH2 ARG A 37 13.728 11.441 4.274 1.00 0.00 N ATOM 0 H ARG A 37 6.765 12.850 5.279 1.00 0.00 H new ATOM 0 HA ARG A 37 7.740 15.515 4.973 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.765 13.021 3.238 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.516 14.523 2.736 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.150 14.427 4.448 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.232 13.272 5.393 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.647 11.504 3.774 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.359 12.635 2.641 1.00 0.00 H new ATOM 0 HE ARG A 37 11.701 12.491 5.264 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.520 11.336 1.933 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.191 10.763 1.919 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.848 11.753 5.238 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.503 10.998 3.781 1.00 0.00 H new ATOM 550 N ILE A 38 5.225 14.533 3.077 1.00 0.00 N ATOM 551 CA ILE A 38 4.166 15.010 2.196 1.00 0.00 C ATOM 552 C ILE A 38 3.516 16.272 2.752 1.00 0.00 C ATOM 553 O ILE A 38 2.765 16.236 3.727 1.00 0.00 O ATOM 554 CB ILE A 38 3.081 13.937 1.987 1.00 0.00 C ATOM 555 CG1 ILE A 38 3.704 12.651 1.439 1.00 0.00 C ATOM 556 CG2 ILE A 38 2.001 14.451 1.047 1.00 0.00 C ATOM 557 CD1 ILE A 38 4.374 12.830 0.095 1.00 0.00 C ATOM 0 H ILE A 38 5.166 13.542 3.309 1.00 0.00 H new ATOM 0 HA ILE A 38 4.632 15.236 1.237 1.00 0.00 H new ATOM 0 HB ILE A 38 2.621 13.714 2.950 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.437 12.278 2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.929 11.890 1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.242 13.681 0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.541 15.342 1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.445 14.699 0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.793 11.879 -0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.640 13.173 -0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.172 13.567 0.182 1.00 0.00 H new ATOM 569 N PRO A 39 3.807 17.417 2.116 1.00 0.00 N ATOM 570 CA PRO A 39 3.259 18.713 2.528 1.00 0.00 C ATOM 571 C PRO A 39 1.764 18.825 2.249 1.00 0.00 C ATOM 572 O PRO A 39 1.169 19.888 2.423 1.00 0.00 O ATOM 573 CB PRO A 39 4.039 19.715 1.673 1.00 0.00 C ATOM 574 CG PRO A 39 4.460 18.942 0.472 1.00 0.00 C ATOM 575 CD PRO A 39 4.694 17.534 0.946 1.00 0.00 C ATOM 0 HA PRO A 39 3.361 18.877 3.601 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.418 20.568 1.397 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.901 20.109 2.212 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.691 18.971 -0.300 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.366 19.362 0.035 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.443 16.804 0.177 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.737 17.368 1.214 1.00 0.00 H new ATOM 583 N ARG A 40 1.163 17.721 1.817 1.00 0.00 N ATOM 584 CA ARG A 40 -0.263 17.696 1.514 1.00 0.00 C ATOM 585 C ARG A 40 -1.058 17.131 2.688 1.00 0.00 C ATOM 586 O ARG A 40 -0.507 16.451 3.554 1.00 0.00 O ATOM 587 CB ARG A 40 -0.525 16.863 0.258 1.00 0.00 C ATOM 588 CG ARG A 40 0.318 17.280 -0.936 1.00 0.00 C ATOM 589 CD ARG A 40 -0.308 18.452 -1.676 1.00 0.00 C ATOM 590 NE ARG A 40 -0.025 19.727 -1.021 1.00 0.00 N ATOM 591 CZ ARG A 40 -0.369 20.905 -1.528 1.00 0.00 C ATOM 592 NH1 ARG A 40 -1.004 20.971 -2.690 1.00 0.00 N ATOM 593 NH2 ARG A 40 -0.077 22.021 -0.873 1.00 0.00 N ATOM 0 H ARG A 40 1.641 16.832 1.669 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.589 18.721 1.336 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.330 15.814 0.481 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.579 16.942 -0.007 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.318 17.553 -0.599 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.430 16.436 -1.617 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.069 18.478 -2.698 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.387 18.308 -1.737 1.00 0.00 H new ATOM 0 HE ARG A 40 0.463 19.711 -0.126 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.230 20.115 -3.197 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.267 21.877 -3.077 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.412 21.975 0.021 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.342 22.925 -1.263 1.00 0.00 H new ATOM 607 N ASP A 41 -2.355 17.417 2.709 1.00 0.00 N ATOM 608 CA ASP A 41 -3.227 16.937 3.775 1.00 0.00 C ATOM 609 C ASP A 41 -4.220 15.908 3.243 1.00 0.00 C ATOM 610 O ASP A 41 -5.413 15.975 3.532 1.00 0.00 O ATOM 611 CB ASP A 41 -3.978 18.106 4.414 1.00 0.00 C ATOM 612 CG ASP A 41 -3.114 19.344 4.550 1.00 0.00 C ATOM 613 OD1 ASP A 41 -2.040 19.253 5.180 1.00 0.00 O ATOM 614 OD2 ASP A 41 -3.511 20.405 4.024 1.00 0.00 O ATOM 0 H ASP A 41 -2.826 17.979 2.000 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.605 16.458 4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.855 18.343 3.812 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.338 17.808 5.399 1.00 0.00 H new ATOM 619 N GLY A 42 -3.717 14.955 2.463 1.00 0.00 N ATOM 620 CA GLY A 42 -4.573 13.927 1.903 1.00 0.00 C ATOM 621 C GLY A 42 -3.793 12.879 1.134 1.00 0.00 C ATOM 622 O GLY A 42 -4.243 12.401 0.093 1.00 0.00 O ATOM 0 H GLY A 42 -2.732 14.877 2.210 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.130 13.444 2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.305 14.389 1.241 1.00 0.00 H new ATOM 626 N ALA A 43 -2.620 12.522 1.647 1.00 0.00 N ATOM 627 CA ALA A 43 -1.776 11.524 1.001 1.00 0.00 C ATOM 628 C ALA A 43 -2.014 10.138 1.593 1.00 0.00 C ATOM 629 O ALA A 43 -2.112 9.981 2.811 1.00 0.00 O ATOM 630 CB ALA A 43 -0.310 11.910 1.129 1.00 0.00 C ATOM 0 H ALA A 43 -2.233 12.909 2.508 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.040 11.490 -0.056 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.309 11.156 0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.145 12.877 0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.041 11.974 2.183 1.00 0.00 H new ATOM 636 N PHE A 44 -2.106 9.137 0.725 1.00 0.00 N ATOM 637 CA PHE A 44 -2.334 7.764 1.162 1.00 0.00 C ATOM 638 C PHE A 44 -1.371 6.805 0.467 1.00 0.00 C ATOM 639 O PHE A 44 -0.881 7.085 -0.628 1.00 0.00 O ATOM 640 CB PHE A 44 -3.779 7.349 0.879 1.00 0.00 C ATOM 641 CG PHE A 44 -4.025 6.978 -0.556 1.00 0.00 C ATOM 642 CD1 PHE A 44 -4.270 7.956 -1.506 1.00 0.00 C ATOM 643 CD2 PHE A 44 -4.012 5.651 -0.954 1.00 0.00 C ATOM 644 CE1 PHE A 44 -4.498 7.617 -2.826 1.00 0.00 C ATOM 645 CE2 PHE A 44 -4.238 5.306 -2.273 1.00 0.00 C ATOM 646 CZ PHE A 44 -4.481 6.291 -3.211 1.00 0.00 C ATOM 0 H PHE A 44 -2.026 9.250 -0.286 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.154 7.716 2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.037 6.502 1.515 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.444 8.167 1.154 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.283 8.995 -1.212 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.823 4.877 -0.225 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.689 8.389 -3.557 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.225 4.268 -2.570 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.657 6.025 -4.243 1.00 0.00 H new ATOM 656 N LEU A 45 -1.105 5.674 1.111 1.00 0.00 N ATOM 657 CA LEU A 45 -0.201 4.673 0.556 1.00 0.00 C ATOM 658 C LEU A 45 -0.534 3.284 1.091 1.00 0.00 C ATOM 659 O LEU A 45 -0.753 3.105 2.289 1.00 0.00 O ATOM 660 CB LEU A 45 1.249 5.026 0.890 1.00 0.00 C ATOM 661 CG LEU A 45 1.759 4.553 2.251 1.00 0.00 C ATOM 662 CD1 LEU A 45 2.231 3.109 2.173 1.00 0.00 C ATOM 663 CD2 LEU A 45 2.881 5.456 2.744 1.00 0.00 C ATOM 0 H LEU A 45 -1.502 5.427 2.018 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.326 4.666 -0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.892 4.604 0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.359 6.109 0.840 1.00 0.00 H new ATOM 0 HG LEU A 45 0.936 4.607 2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.590 2.790 3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.402 2.471 1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.039 3.029 1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.232 5.104 3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.705 5.435 2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.511 6.477 2.840 1.00 0.00 H new ATOM 675 N ILE A 46 -0.567 2.303 0.194 1.00 0.00 N ATOM 676 CA ILE A 46 -0.870 0.929 0.577 1.00 0.00 C ATOM 677 C ILE A 46 0.367 0.044 0.468 1.00 0.00 C ATOM 678 O ILE A 46 0.988 -0.045 -0.591 1.00 0.00 O ATOM 679 CB ILE A 46 -1.991 0.336 -0.296 1.00 0.00 C ATOM 680 CG1 ILE A 46 -3.237 1.223 -0.237 1.00 0.00 C ATOM 681 CG2 ILE A 46 -2.320 -1.080 0.154 1.00 0.00 C ATOM 682 CD1 ILE A 46 -4.287 0.858 -1.263 1.00 0.00 C ATOM 0 H ILE A 46 -0.388 2.434 -0.802 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.205 0.956 1.614 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.645 0.297 -1.329 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.675 1.155 0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.941 2.262 -0.385 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.114 -1.486 -0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.432 -1.706 0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.650 -1.064 1.193 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.141 1.527 -1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.866 0.953 -2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.611 -0.170 -1.102 1.00 0.00 H new ATOM 694 N ARG A 47 0.718 -0.611 1.570 1.00 0.00 N ATOM 695 CA ARG A 47 1.880 -1.491 1.598 1.00 0.00 C ATOM 696 C ARG A 47 1.524 -2.842 2.212 1.00 0.00 C ATOM 697 O ARG A 47 0.393 -3.061 2.646 1.00 0.00 O ATOM 698 CB ARG A 47 3.017 -0.843 2.391 1.00 0.00 C ATOM 699 CG ARG A 47 2.767 -0.798 3.889 1.00 0.00 C ATOM 700 CD ARG A 47 3.927 -0.149 4.628 1.00 0.00 C ATOM 701 NE ARG A 47 3.734 -0.170 6.076 1.00 0.00 N ATOM 702 CZ ARG A 47 3.871 -1.262 6.819 1.00 0.00 C ATOM 703 NH1 ARG A 47 4.201 -2.416 6.255 1.00 0.00 N ATOM 704 NH2 ARG A 47 3.679 -1.202 8.131 1.00 0.00 N ATOM 0 H ARG A 47 0.214 -0.549 2.455 1.00 0.00 H new ATOM 0 HA ARG A 47 2.207 -1.653 0.571 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.939 -1.392 2.202 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.170 0.173 2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.850 -0.243 4.090 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.616 -1.810 4.264 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.852 -0.668 4.378 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.039 0.882 4.292 1.00 0.00 H new ATOM 0 HE ARG A 47 3.480 0.701 6.541 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.350 -2.467 5.247 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.305 -3.253 6.829 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.426 -0.316 8.569 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.784 -2.041 8.701 1.00 0.00 H new ATOM 718 N LYS A 48 2.497 -3.747 2.243 1.00 0.00 N ATOM 719 CA LYS A 48 2.288 -5.077 2.802 1.00 0.00 C ATOM 720 C LYS A 48 3.110 -5.268 4.073 1.00 0.00 C ATOM 721 O LYS A 48 4.250 -4.810 4.160 1.00 0.00 O ATOM 722 CB LYS A 48 2.659 -6.149 1.776 1.00 0.00 C ATOM 723 CG LYS A 48 2.421 -7.567 2.264 1.00 0.00 C ATOM 724 CD LYS A 48 3.649 -8.131 2.960 1.00 0.00 C ATOM 725 CE LYS A 48 4.693 -8.597 1.957 1.00 0.00 C ATOM 726 NZ LYS A 48 6.055 -8.647 2.557 1.00 0.00 N ATOM 0 H LYS A 48 3.439 -3.583 1.887 1.00 0.00 H new ATOM 0 HA LYS A 48 1.232 -5.176 3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.081 -5.985 0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.710 -6.037 1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.575 -7.579 2.951 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.156 -8.204 1.420 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.081 -7.371 3.610 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.356 -8.966 3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.423 -9.585 1.585 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.698 -7.924 1.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.584 -9.446 2.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.558 -7.760 2.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.976 -8.770 3.587 1.00 0.00 H new ATOM 740 N ARG A 49 2.526 -5.947 5.054 1.00 0.00 N ATOM 741 CA ARG A 49 3.206 -6.199 6.319 1.00 0.00 C ATOM 742 C ARG A 49 3.795 -7.607 6.349 1.00 0.00 C ATOM 743 O ARG A 49 3.069 -8.595 6.242 1.00 0.00 O ATOM 744 CB ARG A 49 2.237 -6.014 7.488 1.00 0.00 C ATOM 745 CG ARG A 49 1.603 -4.634 7.542 1.00 0.00 C ATOM 746 CD ARG A 49 0.973 -4.363 8.899 1.00 0.00 C ATOM 747 NE ARG A 49 1.960 -4.385 9.975 1.00 0.00 N ATOM 748 CZ ARG A 49 1.806 -3.744 11.128 1.00 0.00 C ATOM 749 NH1 ARG A 49 0.709 -3.033 11.353 1.00 0.00 N ATOM 750 NH2 ARG A 49 2.749 -3.812 12.059 1.00 0.00 N ATOM 0 H ARG A 49 1.583 -6.333 4.998 1.00 0.00 H new ATOM 0 HA ARG A 49 4.021 -5.482 6.414 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.449 -6.764 7.418 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.769 -6.197 8.422 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.359 -3.877 7.333 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.844 -4.550 6.764 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.478 -3.392 8.881 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.204 -5.110 9.097 1.00 0.00 H new ATOM 0 HE ARG A 49 2.815 -4.923 9.833 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.018 -2.978 10.640 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.593 -2.541 12.239 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.594 -4.357 11.890 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.629 -3.319 12.944 1.00 0.00 H new ATOM 812 N SER A 54 -2.263 -9.617 7.055 1.00 0.00 N ATOM 813 CA SER A 54 -3.226 -8.562 6.765 1.00 0.00 C ATOM 814 C SER A 54 -2.515 -7.263 6.397 1.00 0.00 C ATOM 815 O SER A 54 -1.499 -6.908 6.994 1.00 0.00 O ATOM 816 CB SER A 54 -4.140 -8.332 7.970 1.00 0.00 C ATOM 817 OG SER A 54 -5.047 -9.408 8.135 1.00 0.00 O ATOM 0 HA SER A 54 -3.830 -8.879 5.915 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.537 -8.219 8.871 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.694 -7.402 7.838 1.00 0.00 H new ATOM 0 HG SER A 54 -5.619 -9.238 8.913 1.00 0.00 H new ATOM 823 N TYR A 55 -3.057 -6.560 5.409 1.00 0.00 N ATOM 824 CA TYR A 55 -2.474 -5.301 4.958 1.00 0.00 C ATOM 825 C TYR A 55 -3.082 -4.120 5.707 1.00 0.00 C ATOM 826 O TYR A 55 -4.004 -4.284 6.505 1.00 0.00 O ATOM 827 CB TYR A 55 -2.684 -5.128 3.453 1.00 0.00 C ATOM 828 CG TYR A 55 -2.263 -6.332 2.641 1.00 0.00 C ATOM 829 CD1 TYR A 55 -3.063 -7.466 2.576 1.00 0.00 C ATOM 830 CD2 TYR A 55 -1.065 -6.335 1.936 1.00 0.00 C ATOM 831 CE1 TYR A 55 -2.682 -8.568 1.836 1.00 0.00 C ATOM 832 CE2 TYR A 55 -0.677 -7.433 1.192 1.00 0.00 C ATOM 833 CZ TYR A 55 -1.489 -8.547 1.146 1.00 0.00 C ATOM 834 OH TYR A 55 -1.106 -9.642 0.406 1.00 0.00 O ATOM 0 H TYR A 55 -3.899 -6.840 4.905 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.405 -5.329 5.168 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.737 -4.922 3.263 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.123 -4.257 3.114 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.999 -7.486 3.114 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.427 -5.465 1.970 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.316 -9.442 1.798 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.257 -7.419 0.650 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.241 -9.463 -0.019 1.00 0.00 H new ATOM 844 N ALA A 56 -2.559 -2.927 5.443 1.00 0.00 N ATOM 845 CA ALA A 56 -3.051 -1.717 6.088 1.00 0.00 C ATOM 846 C ALA A 56 -2.779 -0.487 5.229 1.00 0.00 C ATOM 847 O ALA A 56 -1.694 -0.340 4.664 1.00 0.00 O ATOM 848 CB ALA A 56 -2.415 -1.555 7.461 1.00 0.00 C ATOM 0 H ALA A 56 -1.794 -2.773 4.786 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.130 -1.812 6.208 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.792 -0.647 7.932 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.665 -2.416 8.082 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.332 -1.486 7.355 1.00 0.00 H new ATOM 854 N ILE A 57 -3.769 0.394 5.134 1.00 0.00 N ATOM 855 CA ILE A 57 -3.635 1.611 4.343 1.00 0.00 C ATOM 856 C ILE A 57 -3.265 2.800 5.224 1.00 0.00 C ATOM 857 O ILE A 57 -3.978 3.132 6.171 1.00 0.00 O ATOM 858 CB ILE A 57 -4.934 1.935 3.583 1.00 0.00 C ATOM 859 CG1 ILE A 57 -4.748 3.185 2.720 1.00 0.00 C ATOM 860 CG2 ILE A 57 -6.086 2.125 4.559 1.00 0.00 C ATOM 861 CD1 ILE A 57 -5.733 3.281 1.575 1.00 0.00 C ATOM 0 H ILE A 57 -4.673 0.288 5.595 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.837 1.433 3.622 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.173 1.097 2.928 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.848 4.069 3.349 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.735 3.192 2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.997 2.353 4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.230 1.210 5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.857 2.947 5.237 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.542 4.191 1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.619 2.415 0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.749 3.306 1.970 1.00 0.00 H new ATOM 873 N THR A 58 -2.145 3.441 4.904 1.00 0.00 N ATOM 874 CA THR A 58 -1.680 4.594 5.664 1.00 0.00 C ATOM 875 C THR A 58 -2.083 5.899 4.987 1.00 0.00 C ATOM 876 O THR A 58 -2.228 5.956 3.765 1.00 0.00 O ATOM 877 CB THR A 58 -0.149 4.571 5.840 1.00 0.00 C ATOM 878 OG1 THR A 58 0.251 3.359 6.488 1.00 0.00 O ATOM 879 CG2 THR A 58 0.320 5.767 6.654 1.00 0.00 C ATOM 0 H THR A 58 -1.543 3.180 4.123 1.00 0.00 H new ATOM 0 HA THR A 58 -2.152 4.537 6.645 1.00 0.00 H new ATOM 0 HB THR A 58 0.309 4.622 4.852 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.456 3.543 7.428 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.404 5.729 6.765 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.040 6.688 6.143 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.147 5.742 7.639 1.00 0.00 H new ATOM 887 N PHE A 59 -2.261 6.945 5.786 1.00 0.00 N ATOM 888 CA PHE A 59 -2.647 8.250 5.263 1.00 0.00 C ATOM 889 C PHE A 59 -2.474 9.334 6.323 1.00 0.00 C ATOM 890 O PHE A 59 -2.491 9.053 7.522 1.00 0.00 O ATOM 891 CB PHE A 59 -4.099 8.220 4.780 1.00 0.00 C ATOM 892 CG PHE A 59 -5.028 7.506 5.720 1.00 0.00 C ATOM 893 CD1 PHE A 59 -5.055 6.122 5.770 1.00 0.00 C ATOM 894 CD2 PHE A 59 -5.874 8.220 6.554 1.00 0.00 C ATOM 895 CE1 PHE A 59 -5.910 5.463 6.634 1.00 0.00 C ATOM 896 CE2 PHE A 59 -6.731 7.566 7.419 1.00 0.00 C ATOM 897 CZ PHE A 59 -6.748 6.186 7.460 1.00 0.00 C ATOM 0 H PHE A 59 -2.144 6.915 6.799 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.996 8.483 4.421 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.449 9.243 4.643 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.139 7.736 3.804 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.401 5.551 5.127 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.863 9.300 6.528 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.922 4.383 6.663 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.387 8.134 8.062 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.415 5.673 8.137 1.00 0.00 H new ATOM 907 N ARG A 60 -2.308 10.573 5.872 1.00 0.00 N ATOM 908 CA ARG A 60 -2.130 11.699 6.780 1.00 0.00 C ATOM 909 C ARG A 60 -3.472 12.337 7.125 1.00 0.00 C ATOM 910 O ARG A 60 -4.186 12.818 6.246 1.00 0.00 O ATOM 911 CB ARG A 60 -1.202 12.743 6.156 1.00 0.00 C ATOM 912 CG ARG A 60 -1.009 13.980 7.019 1.00 0.00 C ATOM 913 CD ARG A 60 -0.249 15.066 6.274 1.00 0.00 C ATOM 914 NE ARG A 60 -0.517 16.394 6.819 1.00 0.00 N ATOM 915 CZ ARG A 60 0.114 16.897 7.875 1.00 0.00 C ATOM 916 NH1 ARG A 60 1.045 16.186 8.495 1.00 0.00 N ATOM 917 NH2 ARG A 60 -0.186 18.113 8.311 1.00 0.00 N ATOM 0 H ARG A 60 -2.293 10.822 4.883 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.679 11.324 7.699 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.230 12.287 5.968 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.606 13.044 5.189 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.981 14.363 7.330 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.467 13.711 7.926 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.820 14.861 6.327 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.526 15.044 5.220 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.228 16.967 6.364 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.279 15.251 8.162 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.528 16.574 9.305 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.902 18.663 7.836 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.299 18.498 9.122 1.00 0.00 H new ATOM 931 N ALA A 61 -3.809 12.337 8.411 1.00 0.00 N ATOM 932 CA ALA A 61 -5.064 12.917 8.872 1.00 0.00 C ATOM 933 C ALA A 61 -4.863 14.349 9.356 1.00 0.00 C ATOM 934 O ALA A 61 -4.710 14.594 10.553 1.00 0.00 O ATOM 935 CB ALA A 61 -5.664 12.063 9.979 1.00 0.00 C ATOM 0 H ALA A 61 -3.230 11.942 9.152 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.756 12.940 8.030 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.601 12.508 10.314 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.854 11.058 9.601 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.968 12.010 10.816 1.00 0.00 H new ATOM 941 N ARG A 62 -4.862 15.291 8.418 1.00 0.00 N ATOM 942 CA ARG A 62 -4.677 16.699 8.750 1.00 0.00 C ATOM 943 C ARG A 62 -3.785 16.855 9.978 1.00 0.00 C ATOM 944 O ARG A 62 -4.084 17.638 10.879 1.00 0.00 O ATOM 945 CB ARG A 62 -6.030 17.368 9.000 1.00 0.00 C ATOM 946 CG ARG A 62 -6.036 18.859 8.704 1.00 0.00 C ATOM 947 CD ARG A 62 -6.208 19.131 7.218 1.00 0.00 C ATOM 948 NE ARG A 62 -7.614 19.264 6.845 1.00 0.00 N ATOM 949 CZ ARG A 62 -8.297 20.399 6.945 1.00 0.00 C ATOM 950 NH1 ARG A 62 -7.705 21.494 7.402 1.00 0.00 N ATOM 951 NH2 ARG A 62 -9.573 20.441 6.585 1.00 0.00 N ATOM 0 H ARG A 62 -4.987 15.105 7.423 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.190 17.185 7.905 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.786 16.881 8.384 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.317 17.211 10.040 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.843 19.338 9.258 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.103 19.304 9.051 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.675 20.044 6.952 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.756 18.320 6.646 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.098 18.440 6.488 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.723 21.466 7.678 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.231 22.364 7.478 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.031 19.601 6.231 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.096 21.313 6.662 1.00 0.00 H new ATOM 965 N GLY A 63 -2.688 16.104 10.006 1.00 0.00 N ATOM 966 CA GLY A 63 -1.770 16.174 11.128 1.00 0.00 C ATOM 967 C GLY A 63 -0.819 14.995 11.172 1.00 0.00 C ATOM 968 O GLY A 63 0.250 15.026 10.563 1.00 0.00 O ATOM 0 H GLY A 63 -2.419 15.449 9.272 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.196 17.098 11.067 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.339 16.213 12.057 1.00 0.00 H new ATOM 972 N LYS A 64 -1.206 13.951 11.898 1.00 0.00 N ATOM 973 CA LYS A 64 -0.381 12.756 12.021 1.00 0.00 C ATOM 974 C LYS A 64 -0.729 11.740 10.938 1.00 0.00 C ATOM 975 O LYS A 64 -1.536 12.016 10.050 1.00 0.00 O ATOM 976 CB LYS A 64 -0.564 12.125 13.404 1.00 0.00 C ATOM 977 CG LYS A 64 -1.907 11.438 13.586 1.00 0.00 C ATOM 978 CD LYS A 64 -2.918 12.358 14.250 1.00 0.00 C ATOM 979 CE LYS A 64 -4.326 12.101 13.736 1.00 0.00 C ATOM 980 NZ LYS A 64 -5.354 12.787 14.568 1.00 0.00 N ATOM 0 H LYS A 64 -2.087 13.909 12.410 1.00 0.00 H new ATOM 0 HA LYS A 64 0.661 13.051 11.897 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.232 11.399 13.571 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.455 12.898 14.164 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.287 11.118 12.616 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.779 10.540 14.191 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.891 12.211 15.330 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.645 13.396 14.063 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.405 12.445 12.705 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.520 11.028 13.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.300 12.587 14.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.296 12.440 15.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.184 13.813 14.554 1.00 0.00 H new ATOM 994 N VAL A 65 -0.115 10.564 11.017 1.00 0.00 N ATOM 995 CA VAL A 65 -0.362 9.506 10.044 1.00 0.00 C ATOM 996 C VAL A 65 -1.145 8.357 10.669 1.00 0.00 C ATOM 997 O VAL A 65 -0.750 7.808 11.698 1.00 0.00 O ATOM 998 CB VAL A 65 0.956 8.959 9.463 1.00 0.00 C ATOM 999 CG1 VAL A 65 0.694 7.721 8.619 1.00 0.00 C ATOM 1000 CG2 VAL A 65 1.664 10.031 8.648 1.00 0.00 C ATOM 0 H VAL A 65 0.557 10.320 11.744 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.950 9.947 9.239 1.00 0.00 H new ATOM 0 HB VAL A 65 1.607 8.674 10.289 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.636 7.349 8.217 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.233 6.950 9.237 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.024 7.976 7.797 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.593 9.628 8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.020 10.349 7.828 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.887 10.886 9.287 1.00 0.00 H new ATOM 1010 N LYS A 66 -2.258 7.996 10.040 1.00 0.00 N ATOM 1011 CA LYS A 66 -3.098 6.910 10.531 1.00 0.00 C ATOM 1012 C LYS A 66 -2.874 5.638 9.720 1.00 0.00 C ATOM 1013 O LYS A 66 -2.350 5.685 8.606 1.00 0.00 O ATOM 1014 CB LYS A 66 -4.573 7.312 10.472 1.00 0.00 C ATOM 1015 CG LYS A 66 -4.990 8.265 11.579 1.00 0.00 C ATOM 1016 CD LYS A 66 -6.464 8.117 11.917 1.00 0.00 C ATOM 1017 CE LYS A 66 -6.802 8.788 13.240 1.00 0.00 C ATOM 1018 NZ LYS A 66 -8.044 8.230 13.843 1.00 0.00 N ATOM 0 H LYS A 66 -2.600 8.440 9.188 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.823 6.712 11.567 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.775 7.778 9.508 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.188 6.414 10.527 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.391 8.074 12.469 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.787 9.291 11.272 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.067 8.555 11.121 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.723 7.059 11.968 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.972 8.660 13.935 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.924 9.860 13.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.240 8.713 14.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.842 8.374 13.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.919 7.212 14.017 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.274 4.503 10.284 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.118 3.218 9.612 1.00 0.00 C ATOM 1034 C HIS A 67 -4.309 2.309 9.895 1.00 0.00 C ATOM 1035 O HIS A 67 -4.468 1.806 11.008 1.00 0.00 O ATOM 1036 CB HIS A 67 -1.824 2.538 10.060 1.00 0.00 C ATOM 1037 CG HIS A 67 -0.677 3.485 10.230 1.00 0.00 C ATOM 1038 ND1 HIS A 67 0.270 3.704 9.251 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -0.327 4.274 11.272 1.00 0.00 C ATOM 1040 CE1 HIS A 67 1.153 4.586 9.685 1.00 0.00 C ATOM 1041 NE2 HIS A 67 0.813 4.948 10.909 1.00 0.00 N ATOM 0 H HIS A 67 -3.709 4.447 11.205 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.070 3.401 8.538 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.002 2.023 11.004 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.551 1.777 9.329 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.848 4.358 12.214 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.007 4.949 9.133 1.00 0.00 H new ATOM 0 HE2 HIS A 67 1.316 5.619 11.490 1.00 0.00 H new ATOM 1050 N CYS A 68 -5.144 2.103 8.882 1.00 0.00 N ATOM 1051 CA CYS A 68 -6.322 1.255 9.022 1.00 0.00 C ATOM 1052 C CYS A 68 -5.998 -0.191 8.662 1.00 0.00 C ATOM 1053 O CYS A 68 -5.335 -0.458 7.659 1.00 0.00 O ATOM 1054 CB CYS A 68 -7.456 1.772 8.136 1.00 0.00 C ATOM 1055 SG CYS A 68 -9.086 1.117 8.566 1.00 0.00 S ATOM 0 H CYS A 68 -5.027 2.512 7.955 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.641 1.288 10.064 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.485 2.860 8.199 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.237 1.519 7.099 1.00 0.00 H new ATOM 0 HG CYS A 68 -10.001 1.767 7.910 1.00 0.00 H new ATOM 1061 N ARG A 69 -6.467 -1.120 9.488 1.00 0.00 N ATOM 1062 CA ARG A 69 -6.224 -2.540 9.259 1.00 0.00 C ATOM 1063 C ARG A 69 -7.108 -3.067 8.132 1.00 0.00 C ATOM 1064 O ARG A 69 -8.295 -2.747 8.059 1.00 0.00 O ATOM 1065 CB ARG A 69 -6.482 -3.336 10.539 1.00 0.00 C ATOM 1066 CG ARG A 69 -5.858 -4.722 10.530 1.00 0.00 C ATOM 1067 CD ARG A 69 -4.441 -4.699 11.082 1.00 0.00 C ATOM 1068 NE ARG A 69 -4.423 -4.610 12.539 1.00 0.00 N ATOM 1069 CZ ARG A 69 -3.371 -4.935 13.282 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -2.257 -5.367 12.707 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -3.431 -4.827 14.603 1.00 0.00 N ATOM 0 H ARG A 69 -7.017 -0.915 10.322 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.181 -2.663 8.967 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.092 -2.777 11.389 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.558 -3.432 10.687 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.470 -5.401 11.123 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.847 -5.110 9.512 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -3.915 -5.600 10.767 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.901 -3.851 10.660 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.264 -4.280 13.012 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.206 -5.450 11.692 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.451 -5.616 13.280 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.286 -4.494 15.049 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.622 -5.077 15.172 1.00 0.00 H new ATOM 1085 N ILE A 70 -6.521 -3.876 7.256 1.00 0.00 N ATOM 1086 CA ILE A 70 -7.255 -4.448 6.134 1.00 0.00 C ATOM 1087 C ILE A 70 -7.259 -5.971 6.199 1.00 0.00 C ATOM 1088 O ILE A 70 -6.229 -6.594 6.453 1.00 0.00 O ATOM 1089 CB ILE A 70 -6.657 -4.004 4.786 1.00 0.00 C ATOM 1090 CG1 ILE A 70 -6.525 -2.480 4.739 1.00 0.00 C ATOM 1091 CG2 ILE A 70 -7.519 -4.501 3.635 1.00 0.00 C ATOM 1092 CD1 ILE A 70 -5.629 -1.985 3.625 1.00 0.00 C ATOM 0 H ILE A 70 -5.540 -4.150 7.302 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.279 -4.081 6.206 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.663 -4.440 4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.516 -2.041 4.620 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.133 -2.128 5.693 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.084 -4.179 2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.568 -5.590 3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.524 -4.091 3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.582 -0.896 3.652 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.627 -2.395 3.754 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.031 -2.307 2.664 1.00 0.00 H new ATOM 1104 N ASN A 71 -8.424 -6.565 5.965 1.00 0.00 N ATOM 1105 CA ASN A 71 -8.562 -8.017 5.996 1.00 0.00 C ATOM 1106 C ASN A 71 -8.569 -8.592 4.583 1.00 0.00 C ATOM 1107 O ASN A 71 -8.442 -7.858 3.602 1.00 0.00 O ATOM 1108 CB ASN A 71 -9.847 -8.412 6.726 1.00 0.00 C ATOM 1109 CG ASN A 71 -9.662 -8.475 8.230 1.00 0.00 C ATOM 1110 OD1 ASN A 71 -8.739 -7.872 8.778 1.00 0.00 O ATOM 1111 ND2 ASN A 71 -10.542 -9.206 8.904 1.00 0.00 N ATOM 0 H ASN A 71 -9.286 -6.064 5.752 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.707 -8.428 6.532 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.632 -7.693 6.489 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.184 -9.383 6.363 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.469 -9.285 9.918 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.291 -9.689 8.407 1.00 0.00 H new ATOM 1118 N ARG A 72 -8.719 -9.909 4.487 1.00 0.00 N ATOM 1119 CA ARG A 72 -8.742 -10.583 3.194 1.00 0.00 C ATOM 1120 C ARG A 72 -9.837 -11.645 3.154 1.00 0.00 C ATOM 1121 O ARG A 72 -9.928 -12.490 4.045 1.00 0.00 O ATOM 1122 CB ARG A 72 -7.383 -11.225 2.905 1.00 0.00 C ATOM 1123 CG ARG A 72 -6.425 -10.311 2.159 1.00 0.00 C ATOM 1124 CD ARG A 72 -6.575 -10.459 0.653 1.00 0.00 C ATOM 1125 NE ARG A 72 -5.320 -10.201 -0.050 1.00 0.00 N ATOM 1126 CZ ARG A 72 -5.094 -10.565 -1.307 1.00 0.00 C ATOM 1127 NH1 ARG A 72 -6.033 -11.199 -1.996 1.00 0.00 N ATOM 1128 NH2 ARG A 72 -3.927 -10.296 -1.877 1.00 0.00 N ATOM 0 H ARG A 72 -8.826 -10.530 5.289 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.954 -9.838 2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.925 -11.526 3.847 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.536 -12.132 2.320 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.611 -9.276 2.445 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.400 -10.542 2.448 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.920 -11.466 0.420 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.339 -9.769 0.295 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.577 -9.715 0.452 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.931 -11.408 -1.561 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.857 -11.477 -2.961 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.202 -9.809 -1.350 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.754 -10.576 -2.843 1.00 0.00 H new ATOM 1142 N ASP A 73 -10.665 -11.595 2.117 1.00 0.00 N ATOM 1143 CA ASP A 73 -11.753 -12.553 1.960 1.00 0.00 C ATOM 1144 C ASP A 73 -11.456 -13.533 0.830 1.00 0.00 C ATOM 1145 O ASP A 73 -12.367 -14.018 0.160 1.00 0.00 O ATOM 1146 CB ASP A 73 -13.069 -11.823 1.687 1.00 0.00 C ATOM 1147 CG ASP A 73 -14.213 -12.776 1.406 1.00 0.00 C ATOM 1148 OD1 ASP A 73 -14.573 -13.555 2.313 1.00 0.00 O ATOM 1149 OD2 ASP A 73 -14.749 -12.744 0.278 1.00 0.00 O ATOM 0 H ASP A 73 -10.604 -10.901 1.372 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.845 -13.116 2.889 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.321 -11.201 2.546 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.940 -11.154 0.836 1.00 0.00 H new ATOM 1154 N GLY A 74 -10.174 -13.819 0.622 1.00 0.00 N ATOM 1155 CA GLY A 74 -9.780 -14.739 -0.429 1.00 0.00 C ATOM 1156 C GLY A 74 -10.007 -14.167 -1.815 1.00 0.00 C ATOM 1157 O GLY A 74 -9.058 -13.773 -2.493 1.00 0.00 O ATOM 0 H GLY A 74 -9.402 -13.430 1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.726 -14.991 -0.311 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.343 -15.667 -0.325 1.00 0.00 H new ATOM 1161 N ARG A 75 -11.266 -14.123 -2.236 1.00 0.00 N ATOM 1162 CA ARG A 75 -11.614 -13.598 -3.551 1.00 0.00 C ATOM 1163 C ARG A 75 -11.492 -12.078 -3.579 1.00 0.00 C ATOM 1164 O ARG A 75 -11.048 -11.498 -4.571 1.00 0.00 O ATOM 1165 CB ARG A 75 -13.037 -14.014 -3.929 1.00 0.00 C ATOM 1166 CG ARG A 75 -13.389 -13.728 -5.380 1.00 0.00 C ATOM 1167 CD ARG A 75 -14.401 -14.729 -5.915 1.00 0.00 C ATOM 1168 NE ARG A 75 -15.667 -14.669 -5.190 1.00 0.00 N ATOM 1169 CZ ARG A 75 -16.545 -15.665 -5.160 1.00 0.00 C ATOM 1170 NH1 ARG A 75 -16.296 -16.792 -5.812 1.00 0.00 N ATOM 1171 NH2 ARG A 75 -17.676 -15.535 -4.478 1.00 0.00 N ATOM 0 H ARG A 75 -12.062 -14.445 -1.686 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.916 -14.014 -4.277 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.158 -15.080 -3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.743 -13.492 -3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.793 -12.719 -5.466 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.485 -13.762 -5.988 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.579 -14.534 -6.972 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.989 -15.735 -5.842 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.889 -13.815 -4.678 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.428 -16.896 -6.338 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.972 -17.555 -5.787 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.872 -14.669 -3.976 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.349 -16.301 -4.456 1.00 0.00 H new ATOM 1185 N HIS A 76 -11.890 -11.437 -2.484 1.00 0.00 N ATOM 1186 CA HIS A 76 -11.825 -9.983 -2.383 1.00 0.00 C ATOM 1187 C HIS A 76 -11.209 -9.558 -1.054 1.00 0.00 C ATOM 1188 O HIS A 76 -10.756 -10.394 -0.272 1.00 0.00 O ATOM 1189 CB HIS A 76 -13.221 -9.378 -2.528 1.00 0.00 C ATOM 1190 CG HIS A 76 -13.986 -9.911 -3.701 1.00 0.00 C ATOM 1191 ND1 HIS A 76 -15.307 -10.300 -3.624 1.00 0.00 N ATOM 1192 CD2 HIS A 76 -13.609 -10.117 -4.984 1.00 0.00 C ATOM 1193 CE1 HIS A 76 -15.709 -10.724 -4.809 1.00 0.00 C ATOM 1194 NE2 HIS A 76 -14.697 -10.622 -5.652 1.00 0.00 N ATOM 0 H HIS A 76 -12.261 -11.901 -1.655 1.00 0.00 H new ATOM 0 HA HIS A 76 -11.192 -9.615 -3.191 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -13.788 -9.571 -1.617 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -13.131 -8.296 -2.625 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -12.634 -9.921 -5.404 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -16.696 -11.091 -5.048 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -14.720 -10.877 -6.639 1.00 0.00 H new ATOM 1203 N PHE A 77 -11.195 -8.253 -0.805 1.00 0.00 N ATOM 1204 CA PHE A 77 -10.632 -7.716 0.429 1.00 0.00 C ATOM 1205 C PHE A 77 -11.717 -7.067 1.284 1.00 0.00 C ATOM 1206 O PHE A 77 -12.754 -6.642 0.774 1.00 0.00 O ATOM 1207 CB PHE A 77 -9.536 -6.696 0.114 1.00 0.00 C ATOM 1208 CG PHE A 77 -8.480 -7.219 -0.817 1.00 0.00 C ATOM 1209 CD1 PHE A 77 -8.785 -7.513 -2.136 1.00 0.00 C ATOM 1210 CD2 PHE A 77 -7.183 -7.418 -0.373 1.00 0.00 C ATOM 1211 CE1 PHE A 77 -7.816 -7.994 -2.996 1.00 0.00 C ATOM 1212 CE2 PHE A 77 -6.209 -7.899 -1.228 1.00 0.00 C ATOM 1213 CZ PHE A 77 -6.526 -8.188 -2.541 1.00 0.00 C ATOM 0 H PHE A 77 -11.567 -7.548 -1.441 1.00 0.00 H new ATOM 0 HA PHE A 77 -10.197 -8.543 0.991 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -9.992 -5.810 -0.328 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.065 -6.382 1.045 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -9.792 -7.365 -2.497 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -6.930 -7.195 0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -8.067 -8.218 -4.022 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.201 -8.049 -0.870 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.767 -8.565 -3.211 1.00 0.00 H new ATOM 1223 N VAL A 78 -11.470 -6.993 2.588 1.00 0.00 N ATOM 1224 CA VAL A 78 -12.424 -6.396 3.514 1.00 0.00 C ATOM 1225 C VAL A 78 -11.763 -5.315 4.362 1.00 0.00 C ATOM 1226 O VAL A 78 -10.969 -5.610 5.256 1.00 0.00 O ATOM 1227 CB VAL A 78 -13.043 -7.456 4.445 1.00 0.00 C ATOM 1228 CG1 VAL A 78 -14.001 -6.807 5.432 1.00 0.00 C ATOM 1229 CG2 VAL A 78 -13.749 -8.530 3.632 1.00 0.00 C ATOM 0 H VAL A 78 -10.617 -7.339 3.027 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.214 -5.949 2.910 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.241 -7.929 5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -14.428 -7.572 6.081 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.462 -6.078 6.037 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.801 -6.306 4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -14.181 -9.271 4.305 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.541 -8.075 3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.032 -9.015 2.970 1.00 0.00 H new ATOM 1239 N LEU A 79 -12.096 -4.061 4.077 1.00 0.00 N ATOM 1240 CA LEU A 79 -11.535 -2.934 4.814 1.00 0.00 C ATOM 1241 C LEU A 79 -12.133 -2.847 6.215 1.00 0.00 C ATOM 1242 O LEU A 79 -11.441 -3.056 7.210 1.00 0.00 O ATOM 1243 CB LEU A 79 -11.788 -1.628 4.058 1.00 0.00 C ATOM 1244 CG LEU A 79 -10.915 -0.439 4.460 1.00 0.00 C ATOM 1245 CD1 LEU A 79 -10.760 0.528 3.296 1.00 0.00 C ATOM 1246 CD2 LEU A 79 -11.503 0.270 5.671 1.00 0.00 C ATOM 0 H LEU A 79 -12.752 -3.799 3.341 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.460 -3.091 4.907 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.645 -1.814 2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.833 -1.349 4.195 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.927 -0.813 4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.136 1.368 3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.292 0.014 2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.741 0.896 2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.868 1.113 5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.503 0.631 5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.560 -0.426 6.508 1.00 0.00 H new ATOM 1258 N GLY A 80 -13.425 -2.541 6.284 1.00 0.00 N ATOM 1259 CA GLY A 80 -14.095 -2.435 7.567 1.00 0.00 C ATOM 1260 C GLY A 80 -14.870 -3.688 7.921 1.00 0.00 C ATOM 1261 O GLY A 80 -14.290 -4.687 8.348 1.00 0.00 O ATOM 0 H GLY A 80 -14.020 -2.365 5.474 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.357 -2.237 8.344 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -14.775 -1.584 7.549 1.00 0.00 H new ATOM 1265 N THR A 81 -16.187 -3.637 7.746 1.00 0.00 N ATOM 1266 CA THR A 81 -17.044 -4.775 8.053 1.00 0.00 C ATOM 1267 C THR A 81 -17.895 -5.163 6.849 1.00 0.00 C ATOM 1268 O THR A 81 -17.997 -6.340 6.502 1.00 0.00 O ATOM 1269 CB THR A 81 -17.970 -4.475 9.246 1.00 0.00 C ATOM 1270 OG1 THR A 81 -18.657 -3.237 9.035 1.00 0.00 O ATOM 1271 CG2 THR A 81 -17.177 -4.406 10.543 1.00 0.00 C ATOM 0 H THR A 81 -16.683 -2.819 7.393 1.00 0.00 H new ATOM 0 HA THR A 81 -16.387 -5.605 8.312 1.00 0.00 H new ATOM 0 HB THR A 81 -18.696 -5.284 9.325 1.00 0.00 H new ATOM 0 HG1 THR A 81 -19.245 -3.055 9.798 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.852 -4.193 11.372 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.679 -5.360 10.716 1.00 0.00 H new ATOM 0 HG23 THR A 81 -16.430 -3.615 10.471 1.00 0.00 H new ATOM 1279 N SER A 82 -18.504 -4.166 6.214 1.00 0.00 N ATOM 1280 CA SER A 82 -19.349 -4.405 5.050 1.00 0.00 C ATOM 1281 C SER A 82 -18.764 -3.738 3.809 1.00 0.00 C ATOM 1282 O SER A 82 -19.487 -3.141 3.012 1.00 0.00 O ATOM 1283 CB SER A 82 -20.764 -3.881 5.305 1.00 0.00 C ATOM 1284 OG SER A 82 -21.539 -4.831 6.015 1.00 0.00 O ATOM 0 H SER A 82 -18.428 -3.186 6.486 1.00 0.00 H new ATOM 0 HA SER A 82 -19.393 -5.480 4.877 1.00 0.00 H new ATOM 0 HB2 SER A 82 -20.714 -2.951 5.872 1.00 0.00 H new ATOM 0 HB3 SER A 82 -21.246 -3.650 4.355 1.00 0.00 H new ATOM 0 HG SER A 82 -22.438 -4.472 6.167 1.00 0.00 H new ATOM 1290 N ALA A 83 -17.448 -3.846 3.652 1.00 0.00 N ATOM 1291 CA ALA A 83 -16.765 -3.256 2.507 1.00 0.00 C ATOM 1292 C ALA A 83 -16.093 -4.329 1.657 1.00 0.00 C ATOM 1293 O ALA A 83 -15.176 -5.012 2.112 1.00 0.00 O ATOM 1294 CB ALA A 83 -15.741 -2.232 2.974 1.00 0.00 C ATOM 0 H ALA A 83 -16.834 -4.336 4.303 1.00 0.00 H new ATOM 0 HA ALA A 83 -17.510 -2.754 1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -15.238 -1.799 2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -16.244 -1.443 3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.006 -2.719 3.615 1.00 0.00 H new ATOM 1300 N TYR A 84 -16.556 -4.472 0.420 1.00 0.00 N ATOM 1301 CA TYR A 84 -16.002 -5.464 -0.494 1.00 0.00 C ATOM 1302 C TYR A 84 -15.397 -4.794 -1.723 1.00 0.00 C ATOM 1303 O TYR A 84 -15.970 -3.858 -2.281 1.00 0.00 O ATOM 1304 CB TYR A 84 -17.085 -6.456 -0.921 1.00 0.00 C ATOM 1305 CG TYR A 84 -17.247 -7.622 0.029 1.00 0.00 C ATOM 1306 CD1 TYR A 84 -17.623 -7.419 1.351 1.00 0.00 C ATOM 1307 CD2 TYR A 84 -17.026 -8.926 -0.397 1.00 0.00 C ATOM 1308 CE1 TYR A 84 -17.771 -8.481 2.222 1.00 0.00 C ATOM 1309 CE2 TYR A 84 -17.174 -9.994 0.467 1.00 0.00 C ATOM 1310 CZ TYR A 84 -17.546 -9.766 1.775 1.00 0.00 C ATOM 1311 OH TYR A 84 -17.694 -10.827 2.639 1.00 0.00 O ATOM 0 H TYR A 84 -17.314 -3.913 0.027 1.00 0.00 H new ATOM 0 HA TYR A 84 -15.212 -6.002 0.030 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -18.036 -5.930 -1.003 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -16.846 -6.837 -1.914 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -17.803 -6.414 1.704 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -16.734 -9.108 -1.421 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -18.061 -8.306 3.247 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -16.999 -11.002 0.120 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.500 -11.663 2.166 1.00 0.00 H new ATOM 1321 N PHE A 85 -14.233 -5.282 -2.142 1.00 0.00 N ATOM 1322 CA PHE A 85 -13.548 -4.731 -3.306 1.00 0.00 C ATOM 1323 C PHE A 85 -12.677 -5.790 -3.975 1.00 0.00 C ATOM 1324 O PHE A 85 -11.832 -6.411 -3.331 1.00 0.00 O ATOM 1325 CB PHE A 85 -12.689 -3.532 -2.898 1.00 0.00 C ATOM 1326 CG PHE A 85 -13.486 -2.383 -2.350 1.00 0.00 C ATOM 1327 CD1 PHE A 85 -14.088 -1.471 -3.201 1.00 0.00 C ATOM 1328 CD2 PHE A 85 -13.634 -2.216 -0.982 1.00 0.00 C ATOM 1329 CE1 PHE A 85 -14.821 -0.412 -2.699 1.00 0.00 C ATOM 1330 CE2 PHE A 85 -14.367 -1.160 -0.474 1.00 0.00 C ATOM 1331 CZ PHE A 85 -14.961 -0.257 -1.333 1.00 0.00 C ATOM 0 H PHE A 85 -13.745 -6.057 -1.693 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.303 -4.402 -4.020 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -11.965 -3.852 -2.149 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.122 -3.190 -3.764 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.983 -1.589 -4.269 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.171 -2.919 -0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -15.284 0.293 -3.373 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.475 -1.041 0.594 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.534 0.569 -0.938 1.00 0.00 H new ATOM 1341 N GLU A 86 -12.892 -5.991 -5.272 1.00 0.00 N ATOM 1342 CA GLU A 86 -12.128 -6.976 -6.028 1.00 0.00 C ATOM 1343 C GLU A 86 -10.639 -6.872 -5.709 1.00 0.00 C ATOM 1344 O GLU A 86 -9.951 -7.883 -5.568 1.00 0.00 O ATOM 1345 CB GLU A 86 -12.354 -6.786 -7.530 1.00 0.00 C ATOM 1346 CG GLU A 86 -11.633 -7.812 -8.388 1.00 0.00 C ATOM 1347 CD GLU A 86 -12.393 -9.120 -8.494 1.00 0.00 C ATOM 1348 OE1 GLU A 86 -13.567 -9.093 -8.919 1.00 0.00 O ATOM 1349 OE2 GLU A 86 -11.812 -10.172 -8.153 1.00 0.00 O ATOM 0 H GLU A 86 -13.588 -5.485 -5.820 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.475 -7.968 -5.738 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.423 -6.838 -7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.022 -5.788 -7.816 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.481 -7.403 -9.387 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.646 -8.003 -7.967 1.00 0.00 H new ATOM 1356 N SER A 87 -10.149 -5.641 -5.598 1.00 0.00 N ATOM 1357 CA SER A 87 -8.741 -5.403 -5.301 1.00 0.00 C ATOM 1358 C SER A 87 -8.524 -3.976 -4.808 1.00 0.00 C ATOM 1359 O SER A 87 -9.313 -3.078 -5.103 1.00 0.00 O ATOM 1360 CB SER A 87 -7.885 -5.663 -6.542 1.00 0.00 C ATOM 1361 OG SER A 87 -7.849 -4.523 -7.384 1.00 0.00 O ATOM 0 H SER A 87 -10.706 -4.794 -5.709 1.00 0.00 H new ATOM 0 HA SER A 87 -8.440 -6.091 -4.511 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.872 -5.928 -6.240 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.286 -6.514 -7.093 1.00 0.00 H new ATOM 0 HG SER A 87 -7.432 -4.760 -8.239 1.00 0.00 H new ATOM 1367 N LEU A 88 -7.448 -3.774 -4.055 1.00 0.00 N ATOM 1368 CA LEU A 88 -7.125 -2.456 -3.520 1.00 0.00 C ATOM 1369 C LEU A 88 -7.466 -1.362 -4.526 1.00 0.00 C ATOM 1370 O LEU A 88 -7.863 -0.259 -4.149 1.00 0.00 O ATOM 1371 CB LEU A 88 -5.641 -2.383 -3.153 1.00 0.00 C ATOM 1372 CG LEU A 88 -5.156 -3.396 -2.116 1.00 0.00 C ATOM 1373 CD1 LEU A 88 -3.638 -3.484 -2.126 1.00 0.00 C ATOM 1374 CD2 LEU A 88 -5.661 -3.024 -0.730 1.00 0.00 C ATOM 0 H LEU A 88 -6.785 -4.506 -3.801 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.723 -2.298 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.055 -2.516 -4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.428 -1.381 -2.780 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.558 -4.375 -2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.311 -4.210 -1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.298 -3.798 -3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.215 -2.507 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.306 -3.756 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.288 -2.036 -0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.751 -3.013 -0.731 1.00 0.00 H new ATOM 1386 N VAL A 89 -7.312 -1.674 -5.809 1.00 0.00 N ATOM 1387 CA VAL A 89 -7.607 -0.719 -6.869 1.00 0.00 C ATOM 1388 C VAL A 89 -8.996 -0.115 -6.695 1.00 0.00 C ATOM 1389 O VAL A 89 -9.136 1.084 -6.458 1.00 0.00 O ATOM 1390 CB VAL A 89 -7.516 -1.377 -8.259 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -7.903 -0.386 -9.346 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -6.118 -1.925 -8.499 1.00 0.00 C ATOM 0 H VAL A 89 -6.984 -2.582 -6.139 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.859 0.071 -6.799 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.218 -2.210 -8.294 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.833 -0.869 -10.321 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.926 -0.047 -9.182 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.228 0.469 -9.315 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.072 -2.386 -9.486 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.394 -1.112 -8.445 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.884 -2.670 -7.739 1.00 0.00 H new ATOM 1402 N GLU A 90 -10.019 -0.955 -6.812 1.00 0.00 N ATOM 1403 CA GLU A 90 -11.398 -0.503 -6.667 1.00 0.00 C ATOM 1404 C GLU A 90 -11.590 0.246 -5.352 1.00 0.00 C ATOM 1405 O GLU A 90 -12.230 1.297 -5.310 1.00 0.00 O ATOM 1406 CB GLU A 90 -12.358 -1.693 -6.735 1.00 0.00 C ATOM 1407 CG GLU A 90 -12.413 -2.354 -8.101 1.00 0.00 C ATOM 1408 CD GLU A 90 -12.667 -1.362 -9.220 1.00 0.00 C ATOM 1409 OE1 GLU A 90 -13.587 -0.530 -9.077 1.00 0.00 O ATOM 1410 OE2 GLU A 90 -11.946 -1.419 -10.238 1.00 0.00 O ATOM 0 H GLU A 90 -9.919 -1.951 -7.007 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.618 0.179 -7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.058 -2.434 -5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.359 -1.358 -6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.473 -2.873 -8.287 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.200 -3.108 -8.104 1.00 0.00 H new ATOM 1417 N LEU A 91 -11.031 -0.304 -4.279 1.00 0.00 N ATOM 1418 CA LEU A 91 -11.140 0.311 -2.960 1.00 0.00 C ATOM 1419 C LEU A 91 -10.714 1.775 -3.005 1.00 0.00 C ATOM 1420 O LEU A 91 -11.256 2.612 -2.283 1.00 0.00 O ATOM 1421 CB LEU A 91 -10.282 -0.451 -1.948 1.00 0.00 C ATOM 1422 CG LEU A 91 -10.511 -0.103 -0.477 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -10.152 -1.282 0.413 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -9.704 1.127 -0.088 1.00 0.00 C ATOM 0 H LEU A 91 -10.498 -1.174 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.184 0.265 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -10.461 -1.518 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.233 -0.272 -2.184 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.568 0.122 -0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.322 -1.015 1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.774 -2.138 0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.102 -1.539 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.879 1.360 0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.643 0.930 -0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.011 1.973 -0.703 1.00 0.00 H new ATOM 1436 N VAL A 92 -9.741 2.077 -3.858 1.00 0.00 N ATOM 1437 CA VAL A 92 -9.244 3.440 -4.000 1.00 0.00 C ATOM 1438 C VAL A 92 -10.243 4.314 -4.751 1.00 0.00 C ATOM 1439 O VAL A 92 -10.739 5.307 -4.217 1.00 0.00 O ATOM 1440 CB VAL A 92 -7.894 3.472 -4.740 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -7.467 4.906 -5.012 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -6.831 2.734 -3.940 1.00 0.00 C ATOM 0 H VAL A 92 -9.281 1.396 -4.462 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.107 3.833 -2.992 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.013 2.966 -5.698 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.511 4.908 -5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.219 5.399 -5.628 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.365 5.440 -4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.883 2.766 -4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.713 3.210 -2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.135 1.696 -3.802 1.00 0.00 H new ATOM 1452 N SER A 93 -10.535 3.937 -5.991 1.00 0.00 N ATOM 1453 CA SER A 93 -11.473 4.688 -6.818 1.00 0.00 C ATOM 1454 C SER A 93 -12.794 4.899 -6.085 1.00 0.00 C ATOM 1455 O SER A 93 -13.382 5.979 -6.140 1.00 0.00 O ATOM 1456 CB SER A 93 -11.719 3.957 -8.139 1.00 0.00 C ATOM 1457 OG SER A 93 -12.085 2.607 -7.914 1.00 0.00 O ATOM 0 H SER A 93 -10.136 3.116 -6.446 1.00 0.00 H new ATOM 0 HA SER A 93 -11.035 5.664 -7.028 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.507 4.463 -8.697 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.819 3.996 -8.753 1.00 0.00 H new ATOM 0 HG SER A 93 -11.917 2.374 -6.977 1.00 0.00 H new ATOM 1463 N TYR A 94 -13.256 3.858 -5.401 1.00 0.00 N ATOM 1464 CA TYR A 94 -14.509 3.927 -4.658 1.00 0.00 C ATOM 1465 C TYR A 94 -14.426 4.964 -3.543 1.00 0.00 C ATOM 1466 O TYR A 94 -15.175 5.941 -3.530 1.00 0.00 O ATOM 1467 CB TYR A 94 -14.854 2.557 -4.072 1.00 0.00 C ATOM 1468 CG TYR A 94 -16.192 2.519 -3.367 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -16.329 3.001 -2.071 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -17.317 2.002 -3.997 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -17.549 2.968 -1.423 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -18.541 1.967 -3.357 1.00 0.00 C ATOM 1473 CZ TYR A 94 -18.651 2.451 -2.070 1.00 0.00 C ATOM 1474 OH TYR A 94 -19.868 2.416 -1.428 1.00 0.00 O ATOM 0 H TYR A 94 -12.782 2.957 -5.346 1.00 0.00 H new ATOM 0 HA TYR A 94 -15.296 4.228 -5.350 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -14.854 1.818 -4.873 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -14.074 2.265 -3.369 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -15.468 3.408 -1.562 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -17.233 1.621 -5.004 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -17.639 3.345 -0.415 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -19.406 1.563 -3.861 1.00 0.00 H new ATOM 0 HH TYR A 94 -20.540 2.023 -2.023 1.00 0.00 H new ATOM 1484 N TYR A 95 -13.509 4.744 -2.607 1.00 0.00 N ATOM 1485 CA TYR A 95 -13.327 5.657 -1.485 1.00 0.00 C ATOM 1486 C TYR A 95 -13.115 7.086 -1.975 1.00 0.00 C ATOM 1487 O TYR A 95 -13.691 8.030 -1.435 1.00 0.00 O ATOM 1488 CB TYR A 95 -12.137 5.218 -0.631 1.00 0.00 C ATOM 1489 CG TYR A 95 -12.516 4.299 0.509 1.00 0.00 C ATOM 1490 CD1 TYR A 95 -12.837 2.968 0.277 1.00 0.00 C ATOM 1491 CD2 TYR A 95 -12.552 4.764 1.819 1.00 0.00 C ATOM 1492 CE1 TYR A 95 -13.185 2.126 1.316 1.00 0.00 C ATOM 1493 CE2 TYR A 95 -12.897 3.928 2.863 1.00 0.00 C ATOM 1494 CZ TYR A 95 -13.213 2.611 2.607 1.00 0.00 C ATOM 1495 OH TYR A 95 -13.558 1.775 3.644 1.00 0.00 O ATOM 0 H TYR A 95 -12.880 3.941 -2.603 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.232 5.630 -0.877 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -11.410 4.713 -1.267 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -11.645 6.102 -0.226 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -12.814 2.584 -0.732 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -12.306 5.796 2.023 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -13.434 1.094 1.118 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.919 4.304 3.875 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.829 0.904 3.286 1.00 0.00 H new ATOM 1505 N GLU A 96 -12.285 7.236 -3.003 1.00 0.00 N ATOM 1506 CA GLU A 96 -11.997 8.550 -3.566 1.00 0.00 C ATOM 1507 C GLU A 96 -13.225 9.453 -3.496 1.00 0.00 C ATOM 1508 O GLU A 96 -13.111 10.662 -3.291 1.00 0.00 O ATOM 1509 CB GLU A 96 -11.531 8.416 -5.017 1.00 0.00 C ATOM 1510 CG GLU A 96 -10.093 7.945 -5.154 1.00 0.00 C ATOM 1511 CD GLU A 96 -9.104 9.093 -5.200 1.00 0.00 C ATOM 1512 OE1 GLU A 96 -9.513 10.212 -5.576 1.00 0.00 O ATOM 1513 OE2 GLU A 96 -7.923 8.874 -4.862 1.00 0.00 O ATOM 0 H GLU A 96 -11.801 6.465 -3.462 1.00 0.00 H new ATOM 0 HA GLU A 96 -11.200 9.003 -2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -12.185 7.715 -5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.638 9.380 -5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -9.847 7.292 -4.316 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.995 7.349 -6.062 1.00 0.00 H new ATOM 1520 N LYS A 97 -14.401 8.858 -3.668 1.00 0.00 N ATOM 1521 CA LYS A 97 -15.651 9.606 -3.624 1.00 0.00 C ATOM 1522 C LYS A 97 -16.113 9.810 -2.184 1.00 0.00 C ATOM 1523 O LYS A 97 -16.487 10.916 -1.792 1.00 0.00 O ATOM 1524 CB LYS A 97 -16.735 8.875 -4.419 1.00 0.00 C ATOM 1525 CG LYS A 97 -16.668 9.130 -5.915 1.00 0.00 C ATOM 1526 CD LYS A 97 -17.160 10.524 -6.265 1.00 0.00 C ATOM 1527 CE LYS A 97 -18.661 10.542 -6.507 1.00 0.00 C ATOM 1528 NZ LYS A 97 -19.036 9.778 -7.729 1.00 0.00 N ATOM 0 H LYS A 97 -14.514 7.859 -3.839 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.476 10.584 -4.073 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -16.647 7.804 -4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -17.714 9.182 -4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.641 9.008 -6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -17.271 8.388 -6.439 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.913 11.212 -5.456 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.643 10.880 -7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -19.173 10.119 -5.643 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -19.001 11.573 -6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -19.946 10.127 -8.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -18.303 9.904 -8.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -19.121 8.768 -7.495 1.00 0.00 H new ATOM 1542 N HIS A 98 -16.083 8.737 -1.400 1.00 0.00 N ATOM 1543 CA HIS A 98 -16.496 8.800 -0.003 1.00 0.00 C ATOM 1544 C HIS A 98 -15.292 9.009 0.911 1.00 0.00 C ATOM 1545 O HIS A 98 -14.368 8.197 0.931 1.00 0.00 O ATOM 1546 CB HIS A 98 -17.233 7.519 0.391 1.00 0.00 C ATOM 1547 CG HIS A 98 -18.596 7.401 -0.220 1.00 0.00 C ATOM 1548 ND1 HIS A 98 -19.138 6.199 -0.623 1.00 0.00 N ATOM 1549 CD2 HIS A 98 -19.528 8.343 -0.494 1.00 0.00 C ATOM 1550 CE1 HIS A 98 -20.344 6.407 -1.120 1.00 0.00 C ATOM 1551 NE2 HIS A 98 -20.605 7.700 -1.053 1.00 0.00 N ATOM 0 H HIS A 98 -15.777 7.814 -1.708 1.00 0.00 H new ATOM 0 HA HIS A 98 -17.170 9.649 0.113 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -16.634 6.658 0.093 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -17.326 7.482 1.476 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -18.679 5.291 -0.549 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -19.441 9.403 -0.308 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -21.004 5.649 -1.514 1.00 0.00 H new ATOM 1560 N ALA A 99 -15.311 10.103 1.665 1.00 0.00 N ATOM 1561 CA ALA A 99 -14.222 10.418 2.582 1.00 0.00 C ATOM 1562 C ALA A 99 -13.874 9.217 3.454 1.00 0.00 C ATOM 1563 O ALA A 99 -14.699 8.744 4.237 1.00 0.00 O ATOM 1564 CB ALA A 99 -14.591 11.613 3.449 1.00 0.00 C ATOM 0 H ALA A 99 -16.068 10.786 1.659 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.343 10.671 1.989 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.769 11.837 4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.783 12.478 2.814 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.486 11.381 4.026 1.00 0.00 H new ATOM 1570 N LEU A 100 -12.647 8.726 3.314 1.00 0.00 N ATOM 1571 CA LEU A 100 -12.190 7.578 4.089 1.00 0.00 C ATOM 1572 C LEU A 100 -12.327 7.841 5.585 1.00 0.00 C ATOM 1573 O LEU A 100 -12.860 7.014 6.325 1.00 0.00 O ATOM 1574 CB LEU A 100 -10.734 7.255 3.748 1.00 0.00 C ATOM 1575 CG LEU A 100 -9.980 6.398 4.766 1.00 0.00 C ATOM 1576 CD1 LEU A 100 -10.405 4.942 4.655 1.00 0.00 C ATOM 1577 CD2 LEU A 100 -8.477 6.533 4.569 1.00 0.00 C ATOM 0 H LEU A 100 -11.951 9.105 2.671 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.816 6.724 3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.712 6.744 2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.194 8.194 3.623 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.228 6.753 5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.859 4.347 5.387 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -11.475 4.860 4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.187 4.575 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.957 5.916 5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.211 6.205 3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.185 7.575 4.699 1.00 0.00 H new ATOM 1589 N TYR A 101 -11.845 8.999 6.024 1.00 0.00 N ATOM 1590 CA TYR A 101 -11.913 9.372 7.432 1.00 0.00 C ATOM 1591 C TYR A 101 -12.376 10.817 7.590 1.00 0.00 C ATOM 1592 O TYR A 101 -13.379 11.090 8.250 1.00 0.00 O ATOM 1593 CB TYR A 101 -10.549 9.185 8.097 1.00 0.00 C ATOM 1594 CG TYR A 101 -10.489 9.713 9.513 1.00 0.00 C ATOM 1595 CD1 TYR A 101 -11.361 9.246 10.488 1.00 0.00 C ATOM 1596 CD2 TYR A 101 -9.558 10.679 9.875 1.00 0.00 C ATOM 1597 CE1 TYR A 101 -11.310 9.727 11.782 1.00 0.00 C ATOM 1598 CE2 TYR A 101 -9.499 11.165 11.167 1.00 0.00 C ATOM 1599 CZ TYR A 101 -10.377 10.686 12.117 1.00 0.00 C ATOM 1600 OH TYR A 101 -10.322 11.166 13.405 1.00 0.00 O ATOM 0 H TYR A 101 -11.403 9.696 5.424 1.00 0.00 H new ATOM 0 HA TYR A 101 -12.639 8.722 7.920 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -10.299 8.124 8.103 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -9.790 9.688 7.498 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -12.092 8.494 10.230 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -8.869 11.056 9.134 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -11.997 9.354 12.527 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.769 11.916 11.432 1.00 0.00 H new ATOM 0 HH TYR A 101 -9.609 11.835 13.475 1.00 0.00 H new ATOM 1610 N ARG A 102 -11.637 11.738 6.981 1.00 0.00 N ATOM 1611 CA ARG A 102 -11.969 13.156 7.054 1.00 0.00 C ATOM 1612 C ARG A 102 -12.263 13.718 5.666 1.00 0.00 C ATOM 1613 O ARG A 102 -12.303 12.980 4.681 1.00 0.00 O ATOM 1614 CB ARG A 102 -10.825 13.937 7.701 1.00 0.00 C ATOM 1615 CG ARG A 102 -11.287 15.142 8.505 1.00 0.00 C ATOM 1616 CD ARG A 102 -10.362 15.416 9.680 1.00 0.00 C ATOM 1617 NE ARG A 102 -10.595 16.734 10.264 1.00 0.00 N ATOM 1618 CZ ARG A 102 -10.074 17.855 9.778 1.00 0.00 C ATOM 1619 NH1 ARG A 102 -9.294 17.818 8.706 1.00 0.00 N ATOM 1620 NH2 ARG A 102 -10.332 19.017 10.365 1.00 0.00 N ATOM 0 H ARG A 102 -10.804 11.528 6.431 1.00 0.00 H new ATOM 0 HA ARG A 102 -12.864 13.263 7.667 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -10.264 13.269 8.354 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.139 14.272 6.923 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.325 16.019 7.859 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -12.300 14.971 8.870 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -10.508 14.651 10.442 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -9.326 15.344 9.350 1.00 0.00 H new ATOM 0 HE ARG A 102 -11.190 16.797 11.090 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -9.093 16.927 8.252 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -8.895 18.681 8.335 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -10.931 19.050 11.190 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -9.931 19.877 9.991 1.00 0.00 H new ATOM 1634 N LYS A 103 -12.467 15.029 5.596 1.00 0.00 N ATOM 1635 CA LYS A 103 -12.755 15.692 4.330 1.00 0.00 C ATOM 1636 C LYS A 103 -11.493 15.820 3.483 1.00 0.00 C ATOM 1637 O LYS A 103 -11.191 16.893 2.962 1.00 0.00 O ATOM 1638 CB LYS A 103 -13.357 17.076 4.581 1.00 0.00 C ATOM 1639 CG LYS A 103 -14.801 17.036 5.051 1.00 0.00 C ATOM 1640 CD LYS A 103 -15.767 16.964 3.881 1.00 0.00 C ATOM 1641 CE LYS A 103 -16.040 18.342 3.298 1.00 0.00 C ATOM 1642 NZ LYS A 103 -16.837 19.190 4.228 1.00 0.00 N ATOM 0 H LYS A 103 -12.438 15.654 6.402 1.00 0.00 H new ATOM 0 HA LYS A 103 -13.476 15.083 3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.755 17.595 5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.299 17.660 3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -14.949 16.173 5.700 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.015 17.923 5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -15.356 16.316 3.107 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -16.704 16.514 4.209 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.094 18.836 3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -16.574 18.237 2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.273 19.972 3.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -17.582 18.615 4.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.214 19.577 4.965 1.00 0.00 H new ATOM 1656 N MET A 104 -10.762 14.719 3.348 1.00 0.00 N ATOM 1657 CA MET A 104 -9.534 14.709 2.561 1.00 0.00 C ATOM 1658 C MET A 104 -9.510 13.519 1.607 1.00 0.00 C ATOM 1659 O MET A 104 -8.467 12.898 1.401 1.00 0.00 O ATOM 1660 CB MET A 104 -8.313 14.664 3.482 1.00 0.00 C ATOM 1661 CG MET A 104 -8.299 13.463 4.414 1.00 0.00 C ATOM 1662 SD MET A 104 -6.629 12.909 4.808 1.00 0.00 S ATOM 1663 CE MET A 104 -6.616 11.295 4.033 1.00 0.00 C ATOM 0 H MET A 104 -10.998 13.822 3.773 1.00 0.00 H new ATOM 0 HA MET A 104 -9.502 15.625 1.972 1.00 0.00 H new ATOM 0 HB2 MET A 104 -7.409 14.652 2.873 1.00 0.00 H new ATOM 0 HB3 MET A 104 -8.284 15.576 4.078 1.00 0.00 H new ATOM 0 HG2 MET A 104 -8.820 13.718 5.337 1.00 0.00 H new ATOM 0 HG3 MET A 104 -8.850 12.644 3.953 1.00 0.00 H new ATOM 0 HE1 MET A 104 -5.594 11.031 3.760 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.009 10.554 4.729 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.237 11.316 3.137 1.00 0.00 H new ATOM 1673 N ARG A 105 -10.664 13.207 1.028 1.00 0.00 N ATOM 1674 CA ARG A 105 -10.774 12.090 0.096 1.00 0.00 C ATOM 1675 C ARG A 105 -9.472 11.894 -0.673 1.00 0.00 C ATOM 1676 O ARG A 105 -8.904 12.847 -1.208 1.00 0.00 O ATOM 1677 CB ARG A 105 -11.927 12.327 -0.882 1.00 0.00 C ATOM 1678 CG ARG A 105 -13.274 12.510 -0.203 1.00 0.00 C ATOM 1679 CD ARG A 105 -14.334 12.980 -1.187 1.00 0.00 C ATOM 1680 NE ARG A 105 -15.574 13.361 -0.516 1.00 0.00 N ATOM 1681 CZ ARG A 105 -16.472 14.185 -1.044 1.00 0.00 C ATOM 1682 NH1 ARG A 105 -16.270 14.710 -2.244 1.00 0.00 N ATOM 1683 NH2 ARG A 105 -17.576 14.484 -0.371 1.00 0.00 N ATOM 0 H ARG A 105 -11.536 13.711 1.187 1.00 0.00 H new ATOM 0 HA ARG A 105 -10.975 11.186 0.672 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -11.708 13.211 -1.481 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.988 11.484 -1.570 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.586 11.568 0.248 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -13.180 13.235 0.606 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.952 13.830 -1.753 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.540 12.186 -1.905 1.00 0.00 H new ATOM 0 HE ARG A 105 -15.761 12.973 0.409 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -15.423 14.482 -2.765 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -16.961 15.342 -2.647 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -17.735 14.081 0.552 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -18.265 15.117 -0.777 1.00 0.00 H new ATOM 1697 N LEU A 106 -9.003 10.652 -0.725 1.00 0.00 N ATOM 1698 CA LEU A 106 -7.767 10.329 -1.429 1.00 0.00 C ATOM 1699 C LEU A 106 -7.598 11.208 -2.663 1.00 0.00 C ATOM 1700 O LEU A 106 -8.264 11.006 -3.678 1.00 0.00 O ATOM 1701 CB LEU A 106 -7.757 8.854 -1.834 1.00 0.00 C ATOM 1702 CG LEU A 106 -8.108 7.853 -0.732 1.00 0.00 C ATOM 1703 CD1 LEU A 106 -8.133 6.437 -1.286 1.00 0.00 C ATOM 1704 CD2 LEU A 106 -7.120 7.960 0.420 1.00 0.00 C ATOM 0 H LEU A 106 -9.460 9.852 -0.288 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.933 10.519 -0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.459 8.719 -2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.766 8.610 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.102 8.091 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.384 5.738 -0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.880 6.369 -2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.152 6.187 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.385 7.241 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.114 7.749 0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.152 8.968 0.834 1.00 0.00 H new ATOM 1716 N ARG A 107 -6.700 12.184 -2.570 1.00 0.00 N ATOM 1717 CA ARG A 107 -6.442 13.094 -3.680 1.00 0.00 C ATOM 1718 C ARG A 107 -5.035 12.892 -4.233 1.00 0.00 C ATOM 1719 O ARG A 107 -4.834 12.848 -5.447 1.00 0.00 O ATOM 1720 CB ARG A 107 -6.622 14.545 -3.230 1.00 0.00 C ATOM 1721 CG ARG A 107 -8.067 15.014 -3.249 1.00 0.00 C ATOM 1722 CD ARG A 107 -8.160 16.528 -3.361 1.00 0.00 C ATOM 1723 NE ARG A 107 -7.766 17.004 -4.684 1.00 0.00 N ATOM 1724 CZ ARG A 107 -8.592 17.059 -5.722 1.00 0.00 C ATOM 1725 NH1 ARG A 107 -9.853 16.669 -5.591 1.00 0.00 N ATOM 1726 NH2 ARG A 107 -8.159 17.505 -6.894 1.00 0.00 N ATOM 0 H ARG A 107 -6.139 12.365 -1.737 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.159 12.875 -4.471 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -6.227 14.655 -2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -6.030 15.193 -3.876 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -8.589 14.553 -4.088 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.570 14.684 -2.340 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -9.182 16.845 -3.151 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.522 16.987 -2.606 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.803 17.311 -4.818 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -10.190 16.326 -4.691 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.486 16.712 -6.390 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.190 17.806 -6.999 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.795 17.547 -7.690 1.00 0.00 H new ATOM 1740 N TYR A 108 -4.064 12.770 -3.335 1.00 0.00 N ATOM 1741 CA TYR A 108 -2.674 12.576 -3.732 1.00 0.00 C ATOM 1742 C TYR A 108 -2.172 11.201 -3.302 1.00 0.00 C ATOM 1743 O TYR A 108 -1.743 10.995 -2.166 1.00 0.00 O ATOM 1744 CB TYR A 108 -1.791 13.667 -3.125 1.00 0.00 C ATOM 1745 CG TYR A 108 -2.342 15.063 -3.308 1.00 0.00 C ATOM 1746 CD1 TYR A 108 -2.180 15.743 -4.509 1.00 0.00 C ATOM 1747 CD2 TYR A 108 -3.024 15.702 -2.280 1.00 0.00 C ATOM 1748 CE1 TYR A 108 -2.681 17.019 -4.680 1.00 0.00 C ATOM 1749 CE2 TYR A 108 -3.529 16.977 -2.442 1.00 0.00 C ATOM 1750 CZ TYR A 108 -3.355 17.632 -3.644 1.00 0.00 C ATOM 1751 OH TYR A 108 -3.857 18.903 -3.810 1.00 0.00 O ATOM 0 H TYR A 108 -4.214 12.802 -2.327 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.621 12.639 -4.819 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -1.666 13.471 -2.060 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.800 13.614 -3.577 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -1.654 15.266 -5.322 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.162 15.193 -1.338 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.546 17.534 -5.620 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.057 17.459 -1.632 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.304 19.188 -2.986 1.00 0.00 H new ATOM 1761 N PRO A 109 -2.224 10.236 -4.232 1.00 0.00 N ATOM 1762 CA PRO A 109 -1.777 8.863 -3.974 1.00 0.00 C ATOM 1763 C PRO A 109 -0.264 8.766 -3.818 1.00 0.00 C ATOM 1764 O PRO A 109 0.465 8.631 -4.801 1.00 0.00 O ATOM 1765 CB PRO A 109 -2.236 8.101 -5.220 1.00 0.00 C ATOM 1766 CG PRO A 109 -2.311 9.135 -6.290 1.00 0.00 C ATOM 1767 CD PRO A 109 -2.723 10.410 -5.607 1.00 0.00 C ATOM 0 HA PRO A 109 -2.184 8.470 -3.043 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.533 7.310 -5.482 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -3.204 7.626 -5.060 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.348 9.252 -6.787 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.033 8.852 -7.056 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.282 11.284 -6.087 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.804 10.546 -5.628 1.00 0.00 H new ATOM 1775 N VAL A 110 0.204 8.836 -2.575 1.00 0.00 N ATOM 1776 CA VAL A 110 1.631 8.754 -2.290 1.00 0.00 C ATOM 1777 C VAL A 110 2.340 7.847 -3.290 1.00 0.00 C ATOM 1778 O VAL A 110 1.865 6.754 -3.600 1.00 0.00 O ATOM 1779 CB VAL A 110 1.889 8.230 -0.865 1.00 0.00 C ATOM 1780 CG1 VAL A 110 3.383 8.119 -0.599 1.00 0.00 C ATOM 1781 CG2 VAL A 110 1.221 9.130 0.163 1.00 0.00 C ATOM 0 H VAL A 110 -0.385 8.949 -1.750 1.00 0.00 H new ATOM 0 HA VAL A 110 2.030 9.765 -2.375 1.00 0.00 H new ATOM 0 HB VAL A 110 1.454 7.234 -0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 110 3.546 7.747 0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 110 3.830 7.430 -1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 110 3.845 9.101 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 110 1.414 8.744 1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.624 10.139 0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.146 9.152 -0.016 1.00 0.00 H new ATOM 1791 N THR A 111 3.482 8.307 -3.792 1.00 0.00 N ATOM 1792 CA THR A 111 4.257 7.538 -4.757 1.00 0.00 C ATOM 1793 C THR A 111 5.743 7.570 -4.419 1.00 0.00 C ATOM 1794 O THR A 111 6.232 8.478 -3.747 1.00 0.00 O ATOM 1795 CB THR A 111 4.057 8.069 -6.189 1.00 0.00 C ATOM 1796 OG1 THR A 111 4.067 9.501 -6.186 1.00 0.00 O ATOM 1797 CG2 THR A 111 2.746 7.567 -6.774 1.00 0.00 C ATOM 0 H THR A 111 3.890 9.209 -3.546 1.00 0.00 H new ATOM 0 HA THR A 111 3.897 6.511 -4.704 1.00 0.00 H new ATOM 0 HB THR A 111 4.876 7.702 -6.807 1.00 0.00 H new ATOM 0 HG1 THR A 111 3.941 9.831 -7.100 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.627 7.955 -7.786 1.00 0.00 H new ATOM 0 HG22 THR A 111 2.754 6.477 -6.802 1.00 0.00 H new ATOM 0 HG23 THR A 111 1.917 7.908 -6.154 1.00 0.00 H new ATOM 1805 N PRO A 112 6.481 6.556 -4.895 1.00 0.00 N ATOM 1806 CA PRO A 112 7.923 6.446 -4.656 1.00 0.00 C ATOM 1807 C PRO A 112 8.718 7.507 -5.409 1.00 0.00 C ATOM 1808 O PRO A 112 9.864 7.796 -5.067 1.00 0.00 O ATOM 1809 CB PRO A 112 8.264 5.050 -5.181 1.00 0.00 C ATOM 1810 CG PRO A 112 7.212 4.758 -6.195 1.00 0.00 C ATOM 1811 CD PRO A 112 5.965 5.439 -5.703 1.00 0.00 C ATOM 0 HA PRO A 112 8.174 6.595 -3.606 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.259 5.026 -5.625 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.256 4.312 -4.378 1.00 0.00 H new ATOM 0 HG2 PRO A 112 7.501 5.134 -7.177 1.00 0.00 H new ATOM 0 HG3 PRO A 112 7.056 3.684 -6.298 1.00 0.00 H new ATOM 0 HD2 PRO A 112 5.348 5.792 -6.529 1.00 0.00 H new ATOM 0 HD3 PRO A 112 5.347 4.765 -5.109 1.00 0.00 H new ATOM 1819 N GLU A 113 8.101 8.085 -6.436 1.00 0.00 N ATOM 1820 CA GLU A 113 8.753 9.114 -7.237 1.00 0.00 C ATOM 1821 C GLU A 113 8.543 10.495 -6.624 1.00 0.00 C ATOM 1822 O GLU A 113 9.387 11.383 -6.761 1.00 0.00 O ATOM 1823 CB GLU A 113 8.216 9.093 -8.670 1.00 0.00 C ATOM 1824 CG GLU A 113 8.944 8.118 -9.579 1.00 0.00 C ATOM 1825 CD GLU A 113 10.269 8.664 -10.077 1.00 0.00 C ATOM 1826 OE1 GLU A 113 11.157 8.924 -9.239 1.00 0.00 O ATOM 1827 OE2 GLU A 113 10.416 8.831 -11.306 1.00 0.00 O ATOM 0 H GLU A 113 7.152 7.858 -6.732 1.00 0.00 H new ATOM 0 HA GLU A 113 9.822 8.902 -7.254 1.00 0.00 H new ATOM 0 HB2 GLU A 113 7.157 8.835 -8.648 1.00 0.00 H new ATOM 0 HB3 GLU A 113 8.291 10.095 -9.092 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.118 7.186 -9.041 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.309 7.880 -10.433 1.00 0.00 H new ATOM 1834 N LEU A 114 7.413 10.670 -5.947 1.00 0.00 N ATOM 1835 CA LEU A 114 7.091 11.943 -5.312 1.00 0.00 C ATOM 1836 C LEU A 114 8.087 12.266 -4.203 1.00 0.00 C ATOM 1837 O LEU A 114 8.650 13.361 -4.159 1.00 0.00 O ATOM 1838 CB LEU A 114 5.671 11.907 -4.744 1.00 0.00 C ATOM 1839 CG LEU A 114 5.058 13.261 -4.384 1.00 0.00 C ATOM 1840 CD1 LEU A 114 3.541 13.202 -4.483 1.00 0.00 C ATOM 1841 CD2 LEU A 114 5.487 13.687 -2.988 1.00 0.00 C ATOM 0 H LEU A 114 6.705 9.946 -5.824 1.00 0.00 H new ATOM 0 HA LEU A 114 7.153 12.725 -6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 114 5.022 11.419 -5.471 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.674 11.283 -3.850 1.00 0.00 H new ATOM 0 HG LEU A 114 5.420 14.003 -5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.121 14.174 -4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.253 12.943 -5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.161 12.447 -3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 114 5.041 14.653 -2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.154 12.944 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.573 13.770 -2.951 1.00 0.00 H new ATOM 1853 N LEU A 115 8.301 11.306 -3.310 1.00 0.00 N ATOM 1854 CA LEU A 115 9.232 11.487 -2.201 1.00 0.00 C ATOM 1855 C LEU A 115 10.507 12.182 -2.668 1.00 0.00 C ATOM 1856 O LEU A 115 10.950 13.158 -2.064 1.00 0.00 O ATOM 1857 CB LEU A 115 9.575 10.136 -1.571 1.00 0.00 C ATOM 1858 CG LEU A 115 8.682 9.689 -0.413 1.00 0.00 C ATOM 1859 CD1 LEU A 115 8.858 10.611 0.783 1.00 0.00 C ATOM 1860 CD2 LEU A 115 7.224 9.650 -0.848 1.00 0.00 C ATOM 0 H LEU A 115 7.843 10.395 -3.332 1.00 0.00 H new ATOM 0 HA LEU A 115 8.750 12.117 -1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.535 9.374 -2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.605 10.174 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 115 8.980 8.683 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.215 10.277 1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.898 10.589 1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.588 11.629 0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.603 9.330 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.914 10.644 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.109 8.948 -1.674 1.00 0.00 H new ATOM 1872 N GLU A 116 11.091 11.672 -3.748 1.00 0.00 N ATOM 1873 CA GLU A 116 12.315 12.245 -4.296 1.00 0.00 C ATOM 1874 C GLU A 116 12.068 13.657 -4.820 1.00 0.00 C ATOM 1875 O GLU A 116 12.884 14.556 -4.619 1.00 0.00 O ATOM 1876 CB GLU A 116 12.860 11.360 -5.419 1.00 0.00 C ATOM 1877 CG GLU A 116 13.488 10.068 -4.926 1.00 0.00 C ATOM 1878 CD GLU A 116 14.337 9.391 -5.984 1.00 0.00 C ATOM 1879 OE1 GLU A 116 13.858 9.251 -7.129 1.00 0.00 O ATOM 1880 OE2 GLU A 116 15.480 9.000 -5.668 1.00 0.00 O ATOM 0 H GLU A 116 10.737 10.864 -4.260 1.00 0.00 H new ATOM 0 HA GLU A 116 13.052 12.298 -3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.049 11.120 -6.107 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.603 11.922 -5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 116 14.104 10.278 -4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.701 9.385 -4.605 1.00 0.00 H new ATOM 1887 N ARG A 117 10.936 13.842 -5.492 1.00 0.00 N ATOM 1888 CA ARG A 117 10.582 15.143 -6.046 1.00 0.00 C ATOM 1889 C ARG A 117 10.469 16.192 -4.943 1.00 0.00 C ATOM 1890 O ARG A 117 10.931 17.322 -5.098 1.00 0.00 O ATOM 1891 CB ARG A 117 9.262 15.051 -6.814 1.00 0.00 C ATOM 1892 CG ARG A 117 8.924 16.309 -7.598 1.00 0.00 C ATOM 1893 CD ARG A 117 8.255 17.352 -6.716 1.00 0.00 C ATOM 1894 NE ARG A 117 7.696 18.452 -7.497 1.00 0.00 N ATOM 1895 CZ ARG A 117 7.148 19.534 -6.956 1.00 0.00 C ATOM 1896 NH1 ARG A 117 7.086 19.660 -5.637 1.00 0.00 N ATOM 1897 NH2 ARG A 117 6.660 20.492 -7.733 1.00 0.00 N ATOM 0 H ARG A 117 10.249 13.108 -5.666 1.00 0.00 H new ATOM 0 HA ARG A 117 11.374 15.446 -6.731 1.00 0.00 H new ATOM 0 HB2 ARG A 117 9.310 14.207 -7.502 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.456 14.844 -6.110 1.00 0.00 H new ATOM 0 HG2 ARG A 117 9.834 16.726 -8.030 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.264 16.056 -8.428 1.00 0.00 H new ATOM 0 HD2 ARG A 117 7.462 16.881 -6.135 1.00 0.00 H new ATOM 0 HD3 ARG A 117 8.981 17.745 -6.005 1.00 0.00 H new ATOM 0 HE ARG A 117 7.728 18.386 -8.514 1.00 0.00 H new ATOM 0 HH11 ARG A 117 7.460 18.925 -5.036 1.00 0.00 H new ATOM 0 HH12 ARG A 117 6.665 20.492 -5.223 1.00 0.00 H new ATOM 0 HH21 ARG A 117 6.705 20.398 -8.748 1.00 0.00 H new ATOM 0 HH22 ARG A 117 6.239 21.322 -7.316 1.00 0.00 H new ATOM 1911 N TYR A 118 9.852 15.809 -3.831 1.00 0.00 N ATOM 1912 CA TYR A 118 9.676 16.716 -2.703 1.00 0.00 C ATOM 1913 C TYR A 118 10.901 16.700 -1.794 1.00 0.00 C ATOM 1914 O TYR A 118 10.788 16.855 -0.578 1.00 0.00 O ATOM 1915 CB TYR A 118 8.429 16.334 -1.904 1.00 0.00 C ATOM 1916 CG TYR A 118 7.133 16.670 -2.607 1.00 0.00 C ATOM 1917 CD1 TYR A 118 6.933 16.328 -3.939 1.00 0.00 C ATOM 1918 CD2 TYR A 118 6.108 17.330 -1.940 1.00 0.00 C ATOM 1919 CE1 TYR A 118 5.751 16.633 -4.586 1.00 0.00 C ATOM 1920 CE2 TYR A 118 4.922 17.638 -2.578 1.00 0.00 C ATOM 1921 CZ TYR A 118 4.749 17.288 -3.901 1.00 0.00 C ATOM 1922 OH TYR A 118 3.569 17.594 -4.541 1.00 0.00 O ATOM 0 H TYR A 118 9.465 14.876 -3.686 1.00 0.00 H new ATOM 0 HA TYR A 118 9.552 17.725 -3.097 1.00 0.00 H new ATOM 0 HB2 TYR A 118 8.454 15.264 -1.697 1.00 0.00 H new ATOM 0 HB3 TYR A 118 8.454 16.845 -0.942 1.00 0.00 H new ATOM 0 HD1 TYR A 118 7.716 15.815 -4.478 1.00 0.00 H new ATOM 0 HD2 TYR A 118 6.241 17.607 -0.905 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.612 16.360 -5.622 1.00 0.00 H new ATOM 0 HE2 TYR A 118 4.135 18.150 -2.044 1.00 0.00 H new ATOM 0 HH TYR A 118 2.968 18.054 -3.918 1.00 0.00 H new ATOM 1932 N SER A 119 12.072 16.511 -2.394 1.00 0.00 N ATOM 1933 CA SER A 119 13.319 16.471 -1.640 1.00 0.00 C ATOM 1934 C SER A 119 14.522 16.546 -2.575 1.00 0.00 C ATOM 1935 O SER A 119 14.708 15.687 -3.435 1.00 0.00 O ATOM 1936 CB SER A 119 13.391 15.194 -0.799 1.00 0.00 C ATOM 1937 OG SER A 119 14.177 15.393 0.363 1.00 0.00 O ATOM 0 H SER A 119 12.183 16.383 -3.400 1.00 0.00 H new ATOM 0 HA SER A 119 13.342 17.336 -0.977 1.00 0.00 H new ATOM 0 HB2 SER A 119 12.385 14.886 -0.513 1.00 0.00 H new ATOM 0 HB3 SER A 119 13.815 14.386 -1.395 1.00 0.00 H new ATOM 0 HG SER A 119 14.206 14.564 0.884 1.00 0.00 H new