USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 805 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 25 TYR OH : rot 119:sc= -0.135 USER MOD Set 1.2: A 48 HIS : no HD1:sc= -0.568 X(o=-0.7,f=-0.71) USER MOD Set 2.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 68 ASN : amide:sc= -9.41! C(o=-9.4!,f=-15!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 160:sc= -0.0605 (180deg=-0.343) USER MOD Single : A 16 THR OG1 : rot 75:sc= 0.401 USER MOD Single : A 18 CYS SG : rot -138:sc= 0.635 USER MOD Single : A 19 GLN : amide:sc= -1.18 K(o=-1.2,f=-5.2!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.391 K(o=-0.39,f=-1.1) USER MOD Single : A 22 THR OG1 : rot -70:sc= 0.285 USER MOD Single : A 26 GLN : amide:sc= -0.704 X(o=-0.7,f=-0.42) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -2.7 K(o=-2.7,f=-5.1!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0259 USER MOD Single : A 35 THR OG1 : rot 180:sc=-0.00325 USER MOD Single : A 36 SER OG : rot 107:sc= 1.06 USER MOD Single : A 44 CYS SG : rot 130:sc= -0.849 USER MOD Single : A 56 ASN : amide:sc= -7.79! C(o=-7.8!,f=-17!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -4.55! C(o=-4.5!,f=-7.6!) USER MOD Single : A 69 ASN : amide:sc= 0.194 K(o=0.19,f=-1.8) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.123 F(o=-0.96,f=-0.12) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.346 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 170:sc= -0.986 (180deg=-1.32) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 164:sc= -2.1! (180deg=-3.11!) USER MOD Single : A 104 MET CE :methyl -148:sc= 0 (180deg=-0.077) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N SER A 12 -7.749 -8.134 2.680 1.00 0.00 N ATOM 136 CA SER A 12 -7.798 -8.059 4.135 1.00 0.00 C ATOM 137 C SER A 12 -6.732 -7.105 4.667 1.00 0.00 C ATOM 138 O SER A 12 -7.021 -6.215 5.467 1.00 0.00 O ATOM 139 CB SER A 12 -7.604 -9.449 4.745 1.00 0.00 C ATOM 140 OG SER A 12 -6.969 -9.367 6.009 1.00 0.00 O ATOM 0 HA SER A 12 -8.778 -7.677 4.421 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.571 -9.941 4.851 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.006 -10.064 4.073 1.00 0.00 H new ATOM 0 HG SER A 12 -6.858 -10.268 6.378 1.00 0.00 H new ATOM 146 N LYS A 13 -5.497 -7.298 4.216 1.00 0.00 N ATOM 147 CA LYS A 13 -4.386 -6.456 4.643 1.00 0.00 C ATOM 148 C LYS A 13 -4.656 -4.991 4.315 1.00 0.00 C ATOM 149 O LYS A 13 -4.533 -4.119 5.176 1.00 0.00 O ATOM 150 CB LYS A 13 -3.088 -6.909 3.970 1.00 0.00 C ATOM 151 CG LYS A 13 -2.363 -8.009 4.726 1.00 0.00 C ATOM 152 CD LYS A 13 -1.505 -8.852 3.797 1.00 0.00 C ATOM 153 CE LYS A 13 -0.189 -8.161 3.474 1.00 0.00 C ATOM 154 NZ LYS A 13 0.697 -8.070 4.667 1.00 0.00 N ATOM 0 H LYS A 13 -5.240 -8.031 3.554 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.282 -6.555 5.724 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.314 -7.260 2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.423 -6.051 3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.736 -7.567 5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.090 -8.646 5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.306 -9.818 4.261 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.051 -9.048 2.874 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.323 -8.707 2.682 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.389 -7.160 3.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.679 -7.917 4.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.393 -7.275 5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.639 -8.955 5.211 1.00 0.00 H new ATOM 168 N LEU A 14 -5.027 -4.727 3.067 1.00 0.00 N ATOM 169 CA LEU A 14 -5.317 -3.368 2.626 1.00 0.00 C ATOM 170 C LEU A 14 -6.332 -2.701 3.548 1.00 0.00 C ATOM 171 O LEU A 14 -6.090 -1.612 4.072 1.00 0.00 O ATOM 172 CB LEU A 14 -5.844 -3.377 1.190 1.00 0.00 C ATOM 173 CG LEU A 14 -6.474 -2.074 0.697 1.00 0.00 C ATOM 174 CD1 LEU A 14 -5.409 -1.003 0.516 1.00 0.00 C ATOM 175 CD2 LEU A 14 -7.228 -2.305 -0.604 1.00 0.00 C ATOM 0 H LEU A 14 -5.134 -5.437 2.342 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.390 -2.796 2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.020 -3.633 0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.585 -4.172 1.101 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.184 -1.728 1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.875 -0.082 0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.913 -0.818 1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.675 -1.340 -0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.670 -1.367 -0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.539 -2.674 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.017 -3.040 -0.442 1.00 0.00 H new ATOM 187 N LEU A 15 -7.468 -3.360 3.744 1.00 0.00 N ATOM 188 CA LEU A 15 -8.521 -2.833 4.606 1.00 0.00 C ATOM 189 C LEU A 15 -7.955 -2.405 5.956 1.00 0.00 C ATOM 190 O LEU A 15 -8.155 -1.272 6.395 1.00 0.00 O ATOM 191 CB LEU A 15 -9.615 -3.882 4.807 1.00 0.00 C ATOM 192 CG LEU A 15 -10.713 -3.523 5.810 1.00 0.00 C ATOM 193 CD1 LEU A 15 -11.635 -2.459 5.234 1.00 0.00 C ATOM 194 CD2 LEU A 15 -11.504 -4.762 6.201 1.00 0.00 C ATOM 0 H LEU A 15 -7.684 -4.261 3.318 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.952 -1.958 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.082 -4.080 3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.145 -4.811 5.130 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.242 -3.120 6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.410 -2.216 5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.058 -1.563 5.005 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.099 -2.834 4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.281 -4.488 6.915 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.964 -5.195 5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.835 -5.492 6.656 1.00 0.00 H new ATOM 206 N THR A 16 -7.246 -3.319 6.612 1.00 0.00 N ATOM 207 CA THR A 16 -6.651 -3.037 7.911 1.00 0.00 C ATOM 208 C THR A 16 -5.952 -1.682 7.914 1.00 0.00 C ATOM 209 O THR A 16 -6.213 -0.840 8.772 1.00 0.00 O ATOM 210 CB THR A 16 -5.637 -4.125 8.313 1.00 0.00 C ATOM 211 OG1 THR A 16 -6.249 -5.418 8.234 1.00 0.00 O ATOM 212 CG2 THR A 16 -5.120 -3.889 9.724 1.00 0.00 C ATOM 0 H THR A 16 -7.070 -4.261 6.264 1.00 0.00 H new ATOM 0 HA THR A 16 -7.466 -3.024 8.635 1.00 0.00 H new ATOM 0 HB THR A 16 -4.795 -4.079 7.622 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.332 -5.684 7.294 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.406 -4.670 9.985 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.629 -2.917 9.774 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.954 -3.911 10.425 1.00 0.00 H new ATOM 220 N TRP A 17 -5.063 -1.479 6.948 1.00 0.00 N ATOM 221 CA TRP A 17 -4.327 -0.225 6.838 1.00 0.00 C ATOM 222 C TRP A 17 -5.277 0.967 6.855 1.00 0.00 C ATOM 223 O TRP A 17 -5.165 1.851 7.706 1.00 0.00 O ATOM 224 CB TRP A 17 -3.492 -0.210 5.557 1.00 0.00 C ATOM 225 CG TRP A 17 -2.703 1.052 5.377 1.00 0.00 C ATOM 226 CD1 TRP A 17 -1.570 1.413 6.049 1.00 0.00 C ATOM 227 CD2 TRP A 17 -2.989 2.119 4.466 1.00 0.00 C ATOM 228 NE1 TRP A 17 -1.135 2.640 5.611 1.00 0.00 N ATOM 229 CE2 TRP A 17 -1.987 3.094 4.640 1.00 0.00 C ATOM 230 CE3 TRP A 17 -3.991 2.344 3.519 1.00 0.00 C ATOM 231 CZ2 TRP A 17 -1.963 4.275 3.902 1.00 0.00 C ATOM 232 CZ3 TRP A 17 -3.966 3.516 2.788 1.00 0.00 C ATOM 233 CH2 TRP A 17 -2.957 4.469 2.982 1.00 0.00 C ATOM 0 H TRP A 17 -4.835 -2.167 6.230 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.661 -0.147 7.697 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.808 -1.059 5.567 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.152 -0.343 4.700 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -1.087 0.821 6.812 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -0.311 3.133 5.954 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.772 1.614 3.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.187 5.012 4.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.737 3.701 2.055 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -2.964 5.375 2.394 1.00 0.00 H new ATOM 244 N CYS A 18 -6.211 0.987 5.910 1.00 0.00 N ATOM 245 CA CYS A 18 -7.181 2.072 5.816 1.00 0.00 C ATOM 246 C CYS A 18 -7.897 2.279 7.148 1.00 0.00 C ATOM 247 O CYS A 18 -8.061 3.409 7.605 1.00 0.00 O ATOM 248 CB CYS A 18 -8.201 1.778 4.716 1.00 0.00 C ATOM 249 SG CYS A 18 -7.477 1.590 3.069 1.00 0.00 S ATOM 0 H CYS A 18 -6.317 0.264 5.198 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.643 2.987 5.567 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.741 0.866 4.970 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.933 2.585 4.689 1.00 0.00 H new ATOM 0 HG CYS A 18 -8.219 2.204 2.196 1.00 0.00 H new ATOM 255 N GLN A 19 -8.321 1.179 7.762 1.00 0.00 N ATOM 256 CA GLN A 19 -9.021 1.241 9.040 1.00 0.00 C ATOM 257 C GLN A 19 -8.198 2.000 10.075 1.00 0.00 C ATOM 258 O GLN A 19 -8.720 2.859 10.786 1.00 0.00 O ATOM 259 CB GLN A 19 -9.325 -0.170 9.547 1.00 0.00 C ATOM 260 CG GLN A 19 -10.614 -0.753 8.990 1.00 0.00 C ATOM 261 CD GLN A 19 -10.690 -2.258 9.148 1.00 0.00 C ATOM 262 OE1 GLN A 19 -9.670 -2.929 9.313 1.00 0.00 O ATOM 263 NE2 GLN A 19 -11.902 -2.799 9.099 1.00 0.00 N ATOM 0 H GLN A 19 -8.192 0.236 7.396 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.959 1.775 8.887 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.496 -0.827 9.285 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.385 -0.151 10.635 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.464 -0.295 9.496 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.697 -0.498 7.934 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.720 -2.206 8.961 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.015 -3.808 9.200 1.00 0.00 H new ATOM 272 N GLN A 20 -6.912 1.677 10.154 1.00 0.00 N ATOM 273 CA GLN A 20 -6.018 2.329 11.104 1.00 0.00 C ATOM 274 C GLN A 20 -5.925 3.826 10.825 1.00 0.00 C ATOM 275 O GLN A 20 -6.073 4.645 11.731 1.00 0.00 O ATOM 276 CB GLN A 20 -4.625 1.699 11.041 1.00 0.00 C ATOM 277 CG GLN A 20 -4.611 0.220 11.392 1.00 0.00 C ATOM 278 CD GLN A 20 -3.240 -0.264 11.822 1.00 0.00 C ATOM 279 OE1 GLN A 20 -3.035 -0.638 12.977 1.00 0.00 O ATOM 280 NE2 GLN A 20 -2.292 -0.260 10.892 1.00 0.00 N ATOM 0 H GLN A 20 -6.465 0.968 9.572 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.427 2.189 12.104 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.221 1.830 10.037 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.963 2.232 11.723 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.326 0.034 12.193 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.942 -0.358 10.529 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.506 0.058 9.947 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.350 -0.575 11.123 1.00 0.00 H new ATOM 289 N GLN A 21 -5.678 4.174 9.567 1.00 0.00 N ATOM 290 CA GLN A 21 -5.564 5.572 9.170 1.00 0.00 C ATOM 291 C GLN A 21 -6.796 6.362 9.599 1.00 0.00 C ATOM 292 O GLN A 21 -6.684 7.458 10.151 1.00 0.00 O ATOM 293 CB GLN A 21 -5.376 5.681 7.656 1.00 0.00 C ATOM 294 CG GLN A 21 -4.148 4.949 7.141 1.00 0.00 C ATOM 295 CD GLN A 21 -2.857 5.499 7.714 1.00 0.00 C ATOM 296 OE1 GLN A 21 -2.451 6.618 7.398 1.00 0.00 O ATOM 297 NE2 GLN A 21 -2.205 4.715 8.564 1.00 0.00 N ATOM 0 H GLN A 21 -5.553 3.507 8.805 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.692 5.995 9.669 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.261 5.283 7.159 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.303 6.734 7.382 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.230 3.891 7.390 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.117 5.019 6.054 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.578 3.795 8.798 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.331 5.033 8.983 1.00 0.00 H new ATOM 306 N THR A 22 -7.973 5.799 9.344 1.00 0.00 N ATOM 307 CA THR A 22 -9.226 6.451 9.702 1.00 0.00 C ATOM 308 C THR A 22 -9.679 6.042 11.099 1.00 0.00 C ATOM 309 O THR A 22 -10.875 5.924 11.364 1.00 0.00 O ATOM 310 CB THR A 22 -10.342 6.116 8.695 1.00 0.00 C ATOM 311 OG1 THR A 22 -10.620 4.712 8.720 1.00 0.00 O ATOM 312 CG2 THR A 22 -9.943 6.534 7.287 1.00 0.00 C ATOM 0 H THR A 22 -8.084 4.892 8.891 1.00 0.00 H new ATOM 0 HA THR A 22 -9.040 7.525 9.683 1.00 0.00 H new ATOM 0 HB THR A 22 -11.237 6.668 8.982 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.866 4.222 8.331 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.746 6.288 6.593 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.761 7.608 7.264 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.036 6.006 6.994 1.00 0.00 H new ATOM 320 N GLU A 23 -8.715 5.826 11.989 1.00 0.00 N ATOM 321 CA GLU A 23 -9.016 5.429 13.360 1.00 0.00 C ATOM 322 C GLU A 23 -9.293 6.651 14.231 1.00 0.00 C ATOM 323 O GLU A 23 -8.470 7.560 14.324 1.00 0.00 O ATOM 324 CB GLU A 23 -7.857 4.622 13.947 1.00 0.00 C ATOM 325 CG GLU A 23 -8.119 4.117 15.356 1.00 0.00 C ATOM 326 CD GLU A 23 -7.063 3.138 15.831 1.00 0.00 C ATOM 327 OE1 GLU A 23 -7.198 1.932 15.537 1.00 0.00 O ATOM 328 OE2 GLU A 23 -6.103 3.578 16.497 1.00 0.00 O ATOM 0 H GLU A 23 -7.720 5.919 11.785 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.910 4.806 13.343 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.652 3.771 13.297 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.960 5.242 13.953 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.157 4.965 16.040 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.096 3.636 15.390 1.00 0.00 H new ATOM 335 N GLY A 24 -10.460 6.664 14.869 1.00 0.00 N ATOM 336 CA GLY A 24 -10.826 7.778 15.724 1.00 0.00 C ATOM 337 C GLY A 24 -11.875 8.672 15.094 1.00 0.00 C ATOM 338 O GLY A 24 -12.804 9.120 15.767 1.00 0.00 O ATOM 0 H GLY A 24 -11.158 5.923 14.809 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.202 7.395 16.673 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.937 8.368 15.947 1.00 0.00 H new ATOM 342 N TYR A 25 -11.728 8.934 13.800 1.00 0.00 N ATOM 343 CA TYR A 25 -12.668 9.784 13.080 1.00 0.00 C ATOM 344 C TYR A 25 -14.098 9.535 13.551 1.00 0.00 C ATOM 345 O TYR A 25 -14.424 8.450 14.031 1.00 0.00 O ATOM 346 CB TYR A 25 -12.564 9.535 11.575 1.00 0.00 C ATOM 347 CG TYR A 25 -11.437 10.294 10.912 1.00 0.00 C ATOM 348 CD1 TYR A 25 -10.110 9.990 11.189 1.00 0.00 C ATOM 349 CD2 TYR A 25 -11.700 11.316 10.007 1.00 0.00 C ATOM 350 CE1 TYR A 25 -9.078 10.681 10.586 1.00 0.00 C ATOM 351 CE2 TYR A 25 -10.673 12.012 9.398 1.00 0.00 C ATOM 352 CZ TYR A 25 -9.364 11.692 9.691 1.00 0.00 C ATOM 353 OH TYR A 25 -8.339 12.382 9.087 1.00 0.00 O ATOM 0 H TYR A 25 -10.966 8.569 13.228 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.412 10.823 13.288 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -12.424 8.468 11.401 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -13.506 9.814 11.103 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -9.882 9.199 11.888 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -12.724 11.570 9.776 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.052 10.432 10.813 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.894 12.802 8.696 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.388 12.258 8.116 1.00 0.00 H new ATOM 363 N GLN A 26 -14.946 10.548 13.408 1.00 0.00 N ATOM 364 CA GLN A 26 -16.341 10.440 13.818 1.00 0.00 C ATOM 365 C GLN A 26 -17.227 10.056 12.638 1.00 0.00 C ATOM 366 O GLN A 26 -16.865 10.272 11.480 1.00 0.00 O ATOM 367 CB GLN A 26 -16.821 11.761 14.423 1.00 0.00 C ATOM 368 CG GLN A 26 -16.360 11.977 15.855 1.00 0.00 C ATOM 369 CD GLN A 26 -16.768 10.844 16.777 1.00 0.00 C ATOM 370 OE1 GLN A 26 -17.867 10.846 17.333 1.00 0.00 O ATOM 371 NE2 GLN A 26 -15.883 9.868 16.944 1.00 0.00 N ATOM 0 H GLN A 26 -14.692 11.453 13.011 1.00 0.00 H new ATOM 0 HA GLN A 26 -16.412 9.656 14.572 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.462 12.585 13.806 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -17.910 11.791 14.392 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.275 12.081 15.872 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.776 12.913 16.229 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.984 9.907 16.464 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -16.102 9.079 17.553 1.00 0.00 H new ATOM 380 N HIS A 27 -18.390 9.486 12.938 1.00 0.00 N ATOM 381 CA HIS A 27 -19.328 9.072 11.901 1.00 0.00 C ATOM 382 C HIS A 27 -18.598 8.392 10.747 1.00 0.00 C ATOM 383 O HIS A 27 -19.056 8.423 9.604 1.00 0.00 O ATOM 384 CB HIS A 27 -20.113 10.278 11.383 1.00 0.00 C ATOM 385 CG HIS A 27 -21.215 10.714 12.299 1.00 0.00 C ATOM 386 ND1 HIS A 27 -22.476 10.158 12.278 1.00 0.00 N ATOM 387 CD2 HIS A 27 -21.238 11.658 13.270 1.00 0.00 C ATOM 388 CE1 HIS A 27 -23.228 10.742 13.194 1.00 0.00 C ATOM 389 NE2 HIS A 27 -22.500 11.656 13.810 1.00 0.00 N ATOM 0 H HIS A 27 -18.705 9.300 13.890 1.00 0.00 H new ATOM 0 HA HIS A 27 -20.023 8.356 12.340 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -19.426 11.111 11.232 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -20.537 10.034 10.409 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -20.416 12.294 13.565 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -24.262 10.511 13.403 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -22.823 12.262 14.564 1.00 0.00 H new ATOM 398 N VAL A 28 -17.459 7.779 11.053 1.00 0.00 N ATOM 399 CA VAL A 28 -16.665 7.092 10.042 1.00 0.00 C ATOM 400 C VAL A 28 -16.385 5.650 10.450 1.00 0.00 C ATOM 401 O VAL A 28 -15.414 5.370 11.151 1.00 0.00 O ATOM 402 CB VAL A 28 -15.327 7.812 9.793 1.00 0.00 C ATOM 403 CG1 VAL A 28 -14.436 6.985 8.878 1.00 0.00 C ATOM 404 CG2 VAL A 28 -15.568 9.195 9.207 1.00 0.00 C ATOM 0 H VAL A 28 -17.066 7.744 11.993 1.00 0.00 H new ATOM 0 HA VAL A 28 -17.249 7.100 9.122 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.815 7.930 10.748 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.495 7.511 8.714 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -14.236 6.019 9.341 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -14.938 6.832 7.922 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -14.612 9.690 9.037 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -16.101 9.101 8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.164 9.786 9.902 1.00 0.00 H new ATOM 414 N ASN A 29 -17.243 4.737 10.005 1.00 0.00 N ATOM 415 CA ASN A 29 -17.088 3.322 10.324 1.00 0.00 C ATOM 416 C ASN A 29 -16.689 2.526 9.085 1.00 0.00 C ATOM 417 O ASN A 29 -17.541 2.104 8.304 1.00 0.00 O ATOM 418 CB ASN A 29 -18.388 2.764 10.906 1.00 0.00 C ATOM 419 CG ASN A 29 -18.545 1.278 10.650 1.00 0.00 C ATOM 420 OD1 ASN A 29 -19.154 0.868 9.662 1.00 0.00 O ATOM 421 ND2 ASN A 29 -17.994 0.462 11.541 1.00 0.00 N ATOM 0 H ASN A 29 -18.052 4.952 9.423 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.295 3.227 11.066 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -18.411 2.949 11.980 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.235 3.296 10.472 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.067 -0.548 11.421 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.498 0.845 12.346 1.00 0.00 H new ATOM 428 N VAL A 30 -15.386 2.324 8.913 1.00 0.00 N ATOM 429 CA VAL A 30 -14.873 1.576 7.771 1.00 0.00 C ATOM 430 C VAL A 30 -14.943 0.074 8.021 1.00 0.00 C ATOM 431 O VAL A 30 -14.147 -0.478 8.781 1.00 0.00 O ATOM 432 CB VAL A 30 -13.417 1.966 7.453 1.00 0.00 C ATOM 433 CG1 VAL A 30 -12.883 1.136 6.295 1.00 0.00 C ATOM 434 CG2 VAL A 30 -13.319 3.452 7.145 1.00 0.00 C ATOM 0 H VAL A 30 -14.667 2.668 9.550 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.503 1.829 6.918 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.803 1.759 8.330 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.853 1.425 6.084 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.916 0.079 6.559 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.496 1.308 5.411 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.284 3.710 6.923 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -13.944 3.687 6.284 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.659 4.026 8.007 1.00 0.00 H new ATOM 444 N THR A 31 -15.901 -0.584 7.375 1.00 0.00 N ATOM 445 CA THR A 31 -16.075 -2.023 7.527 1.00 0.00 C ATOM 446 C THR A 31 -15.742 -2.757 6.234 1.00 0.00 C ATOM 447 O THR A 31 -15.156 -3.840 6.257 1.00 0.00 O ATOM 448 CB THR A 31 -17.516 -2.373 7.946 1.00 0.00 C ATOM 449 OG1 THR A 31 -18.450 -1.736 7.066 1.00 0.00 O ATOM 450 CG2 THR A 31 -17.784 -1.938 9.378 1.00 0.00 C ATOM 0 H THR A 31 -16.568 -0.143 6.742 1.00 0.00 H new ATOM 0 HA THR A 31 -15.388 -2.343 8.310 1.00 0.00 H new ATOM 0 HB THR A 31 -17.637 -3.454 7.883 1.00 0.00 H new ATOM 0 HG1 THR A 31 -19.363 -1.965 7.338 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.807 -2.196 9.651 1.00 0.00 H new ATOM 0 HG22 THR A 31 -17.091 -2.446 10.048 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.646 -0.860 9.463 1.00 0.00 H new ATOM 458 N ASP A 32 -16.117 -2.162 5.107 1.00 0.00 N ATOM 459 CA ASP A 32 -15.856 -2.759 3.803 1.00 0.00 C ATOM 460 C ASP A 32 -15.068 -1.802 2.915 1.00 0.00 C ATOM 461 O ASP A 32 -14.749 -0.682 3.319 1.00 0.00 O ATOM 462 CB ASP A 32 -17.171 -3.142 3.120 1.00 0.00 C ATOM 463 CG ASP A 32 -17.847 -4.323 3.788 1.00 0.00 C ATOM 464 OD1 ASP A 32 -17.159 -5.332 4.047 1.00 0.00 O ATOM 465 OD2 ASP A 32 -19.064 -4.237 4.052 1.00 0.00 O ATOM 0 H ASP A 32 -16.603 -1.266 5.071 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.260 -3.659 3.956 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -17.846 -2.286 3.132 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.978 -3.381 2.074 1.00 0.00 H new ATOM 470 N LEU A 33 -14.754 -2.249 1.704 1.00 0.00 N ATOM 471 CA LEU A 33 -14.001 -1.432 0.758 1.00 0.00 C ATOM 472 C LEU A 33 -14.857 -1.072 -0.452 1.00 0.00 C ATOM 473 O LEU A 33 -14.339 -0.813 -1.539 1.00 0.00 O ATOM 474 CB LEU A 33 -12.742 -2.172 0.304 1.00 0.00 C ATOM 475 CG LEU A 33 -11.862 -2.744 1.416 1.00 0.00 C ATOM 476 CD1 LEU A 33 -11.026 -3.902 0.893 1.00 0.00 C ATOM 477 CD2 LEU A 33 -10.968 -1.659 1.999 1.00 0.00 C ATOM 0 H LEU A 33 -15.009 -3.172 1.354 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.711 -0.510 1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.042 -2.990 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.139 -1.489 -0.294 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.509 -3.119 2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.406 -4.296 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.684 -4.688 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.387 -3.553 0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.349 -2.084 2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.329 -1.254 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.586 -0.861 2.412 1.00 0.00 H new ATOM 489 N THR A 34 -16.172 -1.055 -0.257 1.00 0.00 N ATOM 490 CA THR A 34 -17.100 -0.725 -1.331 1.00 0.00 C ATOM 491 C THR A 34 -18.040 0.402 -0.919 1.00 0.00 C ATOM 492 O THR A 34 -18.152 1.415 -1.611 1.00 0.00 O ATOM 493 CB THR A 34 -17.938 -1.950 -1.746 1.00 0.00 C ATOM 494 OG1 THR A 34 -18.516 -2.562 -0.588 1.00 0.00 O ATOM 495 CG2 THR A 34 -17.081 -2.965 -2.488 1.00 0.00 C ATOM 0 H THR A 34 -16.618 -1.266 0.636 1.00 0.00 H new ATOM 0 HA THR A 34 -16.498 -0.401 -2.180 1.00 0.00 H new ATOM 0 HB THR A 34 -18.732 -1.612 -2.412 1.00 0.00 H new ATOM 0 HG1 THR A 34 -19.048 -3.339 -0.860 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.694 -3.821 -2.771 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.665 -2.504 -3.384 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.269 -3.298 -1.841 1.00 0.00 H new ATOM 503 N THR A 35 -18.713 0.222 0.212 1.00 0.00 N ATOM 504 CA THR A 35 -19.644 1.224 0.716 1.00 0.00 C ATOM 505 C THR A 35 -18.912 2.310 1.498 1.00 0.00 C ATOM 506 O THR A 35 -19.208 3.496 1.356 1.00 0.00 O ATOM 507 CB THR A 35 -20.717 0.590 1.621 1.00 0.00 C ATOM 508 OG1 THR A 35 -20.095 -0.067 2.731 1.00 0.00 O ATOM 509 CG2 THR A 35 -21.561 -0.407 0.843 1.00 0.00 C ATOM 0 H THR A 35 -18.631 -0.609 0.797 1.00 0.00 H new ATOM 0 HA THR A 35 -20.130 1.669 -0.152 1.00 0.00 H new ATOM 0 HB THR A 35 -21.368 1.384 1.987 1.00 0.00 H new ATOM 0 HG1 THR A 35 -20.784 -0.466 3.303 1.00 0.00 H new ATOM 0 HG21 THR A 35 -22.312 -0.842 1.503 1.00 0.00 H new ATOM 0 HG22 THR A 35 -22.056 0.102 0.016 1.00 0.00 H new ATOM 0 HG23 THR A 35 -20.921 -1.198 0.451 1.00 0.00 H new ATOM 517 N SER A 36 -17.956 1.896 2.323 1.00 0.00 N ATOM 518 CA SER A 36 -17.184 2.833 3.130 1.00 0.00 C ATOM 519 C SER A 36 -16.643 3.972 2.271 1.00 0.00 C ATOM 520 O SER A 36 -16.502 5.103 2.737 1.00 0.00 O ATOM 521 CB SER A 36 -16.028 2.110 3.824 1.00 0.00 C ATOM 522 OG SER A 36 -16.478 0.931 4.469 1.00 0.00 O ATOM 0 H SER A 36 -17.697 0.918 2.450 1.00 0.00 H new ATOM 0 HA SER A 36 -17.846 3.254 3.886 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.261 1.858 3.092 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.566 2.774 4.554 1.00 0.00 H new ATOM 0 HG SER A 36 -16.172 0.147 3.968 1.00 0.00 H new ATOM 528 N TRP A 37 -16.343 3.665 1.014 1.00 0.00 N ATOM 529 CA TRP A 37 -15.817 4.663 0.089 1.00 0.00 C ATOM 530 C TRP A 37 -16.841 4.997 -0.991 1.00 0.00 C ATOM 531 O TRP A 37 -16.484 5.236 -2.144 1.00 0.00 O ATOM 532 CB TRP A 37 -14.524 4.160 -0.556 1.00 0.00 C ATOM 533 CG TRP A 37 -13.655 3.383 0.386 1.00 0.00 C ATOM 534 CD1 TRP A 37 -13.954 2.193 0.985 1.00 0.00 C ATOM 535 CD2 TRP A 37 -12.344 3.743 0.837 1.00 0.00 C ATOM 536 NE1 TRP A 37 -12.909 1.792 1.782 1.00 0.00 N ATOM 537 CE2 TRP A 37 -11.909 2.725 1.708 1.00 0.00 C ATOM 538 CE3 TRP A 37 -11.496 4.826 0.589 1.00 0.00 C ATOM 539 CZ2 TRP A 37 -10.664 2.761 2.330 1.00 0.00 C ATOM 540 CZ3 TRP A 37 -10.261 4.859 1.207 1.00 0.00 C ATOM 541 CH2 TRP A 37 -9.854 3.832 2.069 1.00 0.00 C ATOM 0 H TRP A 37 -16.455 2.734 0.612 1.00 0.00 H new ATOM 0 HA TRP A 37 -15.604 5.570 0.655 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -14.773 3.532 -1.411 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -13.962 5.012 -0.939 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -14.876 1.647 0.852 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -12.882 0.938 2.339 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -11.801 5.622 -0.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.349 1.971 2.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.598 5.691 1.023 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -8.882 3.887 2.536 1.00 0.00 H new ATOM 552 N ARG A 38 -18.114 5.012 -0.608 1.00 0.00 N ATOM 553 CA ARG A 38 -19.189 5.316 -1.545 1.00 0.00 C ATOM 554 C ARG A 38 -19.502 6.810 -1.547 1.00 0.00 C ATOM 555 O ARG A 38 -19.876 7.374 -2.575 1.00 0.00 O ATOM 556 CB ARG A 38 -20.446 4.522 -1.186 1.00 0.00 C ATOM 557 CG ARG A 38 -21.250 5.133 -0.050 1.00 0.00 C ATOM 558 CD ARG A 38 -22.579 4.419 0.140 1.00 0.00 C ATOM 559 NE ARG A 38 -23.521 5.215 0.922 1.00 0.00 N ATOM 560 CZ ARG A 38 -24.839 5.067 0.857 1.00 0.00 C ATOM 561 NH1 ARG A 38 -25.369 4.157 0.050 1.00 0.00 N ATOM 562 NH2 ARG A 38 -25.631 5.828 1.601 1.00 0.00 N ATOM 0 H ARG A 38 -18.426 4.817 0.344 1.00 0.00 H new ATOM 0 HA ARG A 38 -18.859 5.030 -2.544 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -21.081 4.445 -2.069 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -20.158 3.507 -0.911 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -20.673 5.082 0.874 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -21.429 6.188 -0.256 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -23.014 4.197 -0.835 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -22.410 3.465 0.638 1.00 0.00 H new ATOM 0 HE ARG A 38 -23.146 5.924 1.553 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -24.764 3.569 -0.523 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -26.382 4.046 0.002 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -25.228 6.528 2.224 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -26.643 5.713 1.550 1.00 0.00 H new ATOM 576 N SER A 39 -19.346 7.444 -0.389 1.00 0.00 N ATOM 577 CA SER A 39 -19.615 8.870 -0.257 1.00 0.00 C ATOM 578 C SER A 39 -18.330 9.681 -0.394 1.00 0.00 C ATOM 579 O SER A 39 -18.327 10.766 -0.975 1.00 0.00 O ATOM 580 CB SER A 39 -20.274 9.163 1.093 1.00 0.00 C ATOM 581 OG SER A 39 -20.564 10.543 1.230 1.00 0.00 O ATOM 0 H SER A 39 -19.035 6.992 0.471 1.00 0.00 H new ATOM 0 HA SER A 39 -20.295 9.162 -1.057 1.00 0.00 H new ATOM 0 HB2 SER A 39 -21.193 8.584 1.186 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.614 8.845 1.900 1.00 0.00 H new ATOM 0 HG SER A 39 -20.986 10.704 2.100 1.00 0.00 H new ATOM 587 N GLY A 40 -17.239 9.146 0.145 1.00 0.00 N ATOM 588 CA GLY A 40 -15.963 9.832 0.073 1.00 0.00 C ATOM 589 C GLY A 40 -15.311 9.989 1.432 1.00 0.00 C ATOM 590 O GLY A 40 -14.088 9.906 1.556 1.00 0.00 O ATOM 0 H GLY A 40 -17.216 8.249 0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.294 9.279 -0.586 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.108 10.816 -0.373 1.00 0.00 H new ATOM 594 N LEU A 41 -16.127 10.217 2.455 1.00 0.00 N ATOM 595 CA LEU A 41 -15.622 10.388 3.813 1.00 0.00 C ATOM 596 C LEU A 41 -14.462 9.437 4.086 1.00 0.00 C ATOM 597 O LEU A 41 -13.454 9.824 4.677 1.00 0.00 O ATOM 598 CB LEU A 41 -16.742 10.150 4.828 1.00 0.00 C ATOM 599 CG LEU A 41 -18.016 10.971 4.626 1.00 0.00 C ATOM 600 CD1 LEU A 41 -19.102 10.515 5.588 1.00 0.00 C ATOM 601 CD2 LEU A 41 -17.729 12.454 4.807 1.00 0.00 C ATOM 0 H LEU A 41 -17.141 10.288 2.370 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.260 11.411 3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -17.007 9.093 4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.353 10.359 5.824 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.371 10.812 3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -20.001 11.110 5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.327 9.463 5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.757 10.644 6.614 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.647 13.023 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.350 12.631 5.814 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.984 12.772 4.078 1.00 0.00 H new ATOM 613 N ALA A 42 -14.610 8.190 3.651 1.00 0.00 N ATOM 614 CA ALA A 42 -13.573 7.184 3.844 1.00 0.00 C ATOM 615 C ALA A 42 -12.216 7.699 3.377 1.00 0.00 C ATOM 616 O ALA A 42 -11.288 7.846 4.175 1.00 0.00 O ATOM 617 CB ALA A 42 -13.936 5.903 3.108 1.00 0.00 C ATOM 0 H ALA A 42 -15.439 7.852 3.162 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.504 6.969 4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.152 5.161 3.261 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.881 5.518 3.492 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.035 6.111 2.043 1.00 0.00 H new ATOM 623 N LEU A 43 -12.105 7.969 2.082 1.00 0.00 N ATOM 624 CA LEU A 43 -10.859 8.467 1.508 1.00 0.00 C ATOM 625 C LEU A 43 -10.524 9.852 2.052 1.00 0.00 C ATOM 626 O LEU A 43 -9.431 10.077 2.573 1.00 0.00 O ATOM 627 CB LEU A 43 -10.962 8.517 -0.018 1.00 0.00 C ATOM 628 CG LEU A 43 -9.710 8.988 -0.759 1.00 0.00 C ATOM 629 CD1 LEU A 43 -8.554 8.031 -0.517 1.00 0.00 C ATOM 630 CD2 LEU A 43 -9.992 9.122 -2.249 1.00 0.00 C ATOM 0 H LEU A 43 -12.862 7.852 1.409 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.059 7.783 1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.220 7.521 -0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.788 9.176 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.429 9.968 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.672 8.383 -1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.337 7.986 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.823 7.037 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.090 9.458 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.298 8.156 -2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.790 9.848 -2.404 1.00 0.00 H new ATOM 642 N CYS A 44 -11.472 10.775 1.930 1.00 0.00 N ATOM 643 CA CYS A 44 -11.278 12.138 2.411 1.00 0.00 C ATOM 644 C CYS A 44 -10.607 12.141 3.781 1.00 0.00 C ATOM 645 O CYS A 44 -9.804 13.021 4.088 1.00 0.00 O ATOM 646 CB CYS A 44 -12.618 12.871 2.485 1.00 0.00 C ATOM 647 SG CYS A 44 -13.436 13.075 0.886 1.00 0.00 S ATOM 0 H CYS A 44 -12.382 10.604 1.502 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.627 12.656 1.706 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -13.283 12.324 3.154 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.458 13.854 2.928 1.00 0.00 H new ATOM 0 HG CYS A 44 -14.670 12.676 0.976 1.00 0.00 H new ATOM 653 N ALA A 45 -10.944 11.151 4.601 1.00 0.00 N ATOM 654 CA ALA A 45 -10.374 11.039 5.938 1.00 0.00 C ATOM 655 C ALA A 45 -8.856 10.903 5.879 1.00 0.00 C ATOM 656 O ALA A 45 -8.128 11.742 6.409 1.00 0.00 O ATOM 657 CB ALA A 45 -10.983 9.855 6.674 1.00 0.00 C ATOM 0 H ALA A 45 -11.609 10.415 4.363 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.610 11.953 6.484 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.548 9.783 7.671 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.061 9.994 6.757 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.777 8.938 6.122 1.00 0.00 H new ATOM 663 N ILE A 46 -8.387 9.842 5.231 1.00 0.00 N ATOM 664 CA ILE A 46 -6.956 9.598 5.103 1.00 0.00 C ATOM 665 C ILE A 46 -6.207 10.883 4.767 1.00 0.00 C ATOM 666 O ILE A 46 -5.319 11.307 5.508 1.00 0.00 O ATOM 667 CB ILE A 46 -6.659 8.546 4.017 1.00 0.00 C ATOM 668 CG1 ILE A 46 -7.347 7.222 4.358 1.00 0.00 C ATOM 669 CG2 ILE A 46 -5.159 8.347 3.869 1.00 0.00 C ATOM 670 CD1 ILE A 46 -7.343 6.228 3.217 1.00 0.00 C ATOM 0 H ILE A 46 -8.977 9.138 4.787 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.613 9.221 6.067 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.053 8.905 3.066 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.851 6.776 5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.378 7.422 4.651 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.965 7.601 3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.693 9.291 3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.742 8.006 4.817 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -7.847 5.313 3.529 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.865 6.655 2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.315 5.998 2.938 1.00 0.00 H new ATOM 682 N ILE A 47 -6.571 11.499 3.648 1.00 0.00 N ATOM 683 CA ILE A 47 -5.936 12.738 3.217 1.00 0.00 C ATOM 684 C ILE A 47 -6.063 13.821 4.282 1.00 0.00 C ATOM 685 O ILE A 47 -5.071 14.235 4.883 1.00 0.00 O ATOM 686 CB ILE A 47 -6.545 13.254 1.900 1.00 0.00 C ATOM 687 CG1 ILE A 47 -6.467 12.175 0.818 1.00 0.00 C ATOM 688 CG2 ILE A 47 -5.831 14.519 1.446 1.00 0.00 C ATOM 689 CD1 ILE A 47 -7.397 12.421 -0.349 1.00 0.00 C ATOM 0 H ILE A 47 -7.303 11.160 3.023 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.882 12.513 3.056 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.594 13.494 2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.443 12.115 0.450 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.703 11.208 1.263 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.273 14.872 0.514 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.934 15.289 2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.774 14.304 1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.288 11.617 -1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.427 12.452 0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.147 13.372 -0.819 1.00 0.00 H new ATOM 701 N HIS A 48 -7.291 14.276 4.512 1.00 0.00 N ATOM 702 CA HIS A 48 -7.549 15.310 5.508 1.00 0.00 C ATOM 703 C HIS A 48 -6.750 15.050 6.781 1.00 0.00 C ATOM 704 O HIS A 48 -6.417 15.979 7.517 1.00 0.00 O ATOM 705 CB HIS A 48 -9.042 15.374 5.832 1.00 0.00 C ATOM 706 CG HIS A 48 -9.345 16.075 7.120 1.00 0.00 C ATOM 707 ND1 HIS A 48 -9.838 15.426 8.233 1.00 0.00 N ATOM 708 CD2 HIS A 48 -9.221 17.377 7.470 1.00 0.00 C ATOM 709 CE1 HIS A 48 -10.005 16.299 9.211 1.00 0.00 C ATOM 710 NE2 HIS A 48 -9.638 17.490 8.773 1.00 0.00 N ATOM 0 H HIS A 48 -8.122 13.945 4.022 1.00 0.00 H new ATOM 0 HA HIS A 48 -7.234 16.267 5.092 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -9.560 15.884 5.020 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -9.440 14.360 5.877 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.861 18.178 6.841 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.378 16.077 10.200 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.661 18.354 9.315 1.00 0.00 H new ATOM 719 N ARG A 49 -6.446 13.781 7.035 1.00 0.00 N ATOM 720 CA ARG A 49 -5.688 13.399 8.220 1.00 0.00 C ATOM 721 C ARG A 49 -4.275 13.973 8.170 1.00 0.00 C ATOM 722 O ARG A 49 -3.881 14.755 9.035 1.00 0.00 O ATOM 723 CB ARG A 49 -5.627 11.876 8.344 1.00 0.00 C ATOM 724 CG ARG A 49 -5.537 11.384 9.779 1.00 0.00 C ATOM 725 CD ARG A 49 -4.215 11.777 10.420 1.00 0.00 C ATOM 726 NE ARG A 49 -3.873 10.910 11.544 1.00 0.00 N ATOM 727 CZ ARG A 49 -2.690 10.921 12.148 1.00 0.00 C ATOM 728 NH1 ARG A 49 -1.740 11.751 11.737 1.00 0.00 N ATOM 729 NH2 ARG A 49 -2.454 10.102 13.164 1.00 0.00 N ATOM 0 H ARG A 49 -6.713 13.000 6.436 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.197 13.807 9.093 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.513 11.446 7.877 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.764 11.509 7.788 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.361 11.798 10.359 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.645 10.300 9.801 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.422 11.732 9.673 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.271 12.810 10.763 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.582 10.260 11.884 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.917 12.382 10.956 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.832 11.758 12.202 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.182 9.462 13.483 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.545 10.112 13.627 1.00 0.00 H new ATOM 743 N PHE A 50 -3.518 13.579 7.152 1.00 0.00 N ATOM 744 CA PHE A 50 -2.148 14.053 6.989 1.00 0.00 C ATOM 745 C PHE A 50 -2.125 15.530 6.609 1.00 0.00 C ATOM 746 O PHE A 50 -1.428 16.332 7.230 1.00 0.00 O ATOM 747 CB PHE A 50 -1.424 13.228 5.923 1.00 0.00 C ATOM 748 CG PHE A 50 -0.960 11.887 6.415 1.00 0.00 C ATOM 749 CD1 PHE A 50 -1.841 10.820 6.491 1.00 0.00 C ATOM 750 CD2 PHE A 50 0.356 11.694 6.802 1.00 0.00 C ATOM 751 CE1 PHE A 50 -1.417 9.584 6.943 1.00 0.00 C ATOM 752 CE2 PHE A 50 0.786 10.460 7.254 1.00 0.00 C ATOM 753 CZ PHE A 50 -0.102 9.405 7.326 1.00 0.00 C ATOM 0 H PHE A 50 -3.830 12.933 6.427 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.633 13.934 7.942 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.090 13.083 5.073 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.563 13.791 5.562 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.870 10.955 6.194 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.054 12.517 6.750 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.113 8.760 6.997 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.815 10.321 7.550 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.231 8.441 7.681 1.00 0.00 H new ATOM 763 N ARG A 51 -2.893 15.883 5.583 1.00 0.00 N ATOM 764 CA ARG A 51 -2.960 17.263 5.117 1.00 0.00 C ATOM 765 C ARG A 51 -4.405 17.748 5.060 1.00 0.00 C ATOM 766 O ARG A 51 -5.088 17.623 4.043 1.00 0.00 O ATOM 767 CB ARG A 51 -2.313 17.389 3.736 1.00 0.00 C ATOM 768 CG ARG A 51 -0.808 17.600 3.786 1.00 0.00 C ATOM 769 CD ARG A 51 -0.098 16.400 4.393 1.00 0.00 C ATOM 770 NE ARG A 51 1.286 16.296 3.939 1.00 0.00 N ATOM 771 CZ ARG A 51 1.639 15.785 2.765 1.00 0.00 C ATOM 772 NH1 ARG A 51 0.713 15.333 1.930 1.00 0.00 N ATOM 773 NH2 ARG A 51 2.920 15.725 2.423 1.00 0.00 N ATOM 0 H ARG A 51 -3.478 15.232 5.059 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.414 17.886 5.825 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.526 16.488 3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.771 18.223 3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.430 17.777 2.779 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.584 18.492 4.371 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.118 16.479 5.480 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.635 15.489 4.129 1.00 0.00 H new ATOM 0 HE ARG A 51 2.023 16.635 4.558 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.273 15.377 2.189 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.986 14.941 1.029 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.635 16.072 3.062 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.189 15.332 1.521 1.00 0.00 H new ATOM 787 N PRO A 52 -4.885 18.314 6.177 1.00 0.00 N ATOM 788 CA PRO A 52 -6.253 18.829 6.280 1.00 0.00 C ATOM 789 C PRO A 52 -6.466 20.081 5.437 1.00 0.00 C ATOM 790 O PRO A 52 -7.595 20.535 5.259 1.00 0.00 O ATOM 791 CB PRO A 52 -6.399 19.154 7.768 1.00 0.00 C ATOM 792 CG PRO A 52 -5.008 19.403 8.240 1.00 0.00 C ATOM 793 CD PRO A 52 -4.127 18.495 7.427 1.00 0.00 C ATOM 0 HA PRO A 52 -6.987 18.112 5.913 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -7.032 20.028 7.922 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.859 18.328 8.310 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.729 20.447 8.099 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.913 19.189 9.305 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.150 18.942 7.243 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.953 17.545 7.933 1.00 0.00 H new ATOM 801 N GLU A 53 -5.373 20.635 4.921 1.00 0.00 N ATOM 802 CA GLU A 53 -5.441 21.836 4.097 1.00 0.00 C ATOM 803 C GLU A 53 -5.955 21.507 2.698 1.00 0.00 C ATOM 804 O GLU A 53 -6.423 22.387 1.974 1.00 0.00 O ATOM 805 CB GLU A 53 -4.064 22.497 4.005 1.00 0.00 C ATOM 806 CG GLU A 53 -2.978 21.571 3.485 1.00 0.00 C ATOM 807 CD GLU A 53 -1.857 22.320 2.790 1.00 0.00 C ATOM 808 OE1 GLU A 53 -2.158 23.161 1.918 1.00 0.00 O ATOM 809 OE2 GLU A 53 -0.680 22.064 3.119 1.00 0.00 O ATOM 0 H GLU A 53 -4.430 20.271 5.059 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.138 22.530 4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.131 23.367 3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.778 22.860 4.992 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.567 20.997 4.315 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.418 20.856 2.790 1.00 0.00 H new ATOM 816 N LEU A 54 -5.862 20.236 2.324 1.00 0.00 N ATOM 817 CA LEU A 54 -6.316 19.790 1.012 1.00 0.00 C ATOM 818 C LEU A 54 -7.801 19.439 1.039 1.00 0.00 C ATOM 819 O LEU A 54 -8.527 19.695 0.079 1.00 0.00 O ATOM 820 CB LEU A 54 -5.503 18.579 0.553 1.00 0.00 C ATOM 821 CG LEU A 54 -3.982 18.736 0.596 1.00 0.00 C ATOM 822 CD1 LEU A 54 -3.300 17.397 0.361 1.00 0.00 C ATOM 823 CD2 LEU A 54 -3.523 19.760 -0.432 1.00 0.00 C ATOM 0 H LEU A 54 -5.476 19.496 2.911 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.168 20.608 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.778 17.726 1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.794 18.337 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.700 19.094 1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.219 17.529 0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.605 16.693 1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.588 17.009 -0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.438 19.859 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.817 19.432 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.984 20.724 -0.217 1.00 0.00 H new ATOM 835 N ILE A 55 -8.244 18.854 2.147 1.00 0.00 N ATOM 836 CA ILE A 55 -9.642 18.472 2.301 1.00 0.00 C ATOM 837 C ILE A 55 -10.173 18.868 3.674 1.00 0.00 C ATOM 838 O ILE A 55 -9.499 18.687 4.687 1.00 0.00 O ATOM 839 CB ILE A 55 -9.836 16.956 2.106 1.00 0.00 C ATOM 840 CG1 ILE A 55 -9.348 16.532 0.719 1.00 0.00 C ATOM 841 CG2 ILE A 55 -11.298 16.580 2.297 1.00 0.00 C ATOM 842 CD1 ILE A 55 -9.641 15.084 0.393 1.00 0.00 C ATOM 0 H ILE A 55 -7.655 18.634 2.951 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.201 19.004 1.531 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.245 16.429 2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.817 17.167 -0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.273 16.701 0.653 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.419 15.506 2.156 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.615 16.852 3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.909 17.113 1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.268 14.853 -0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.150 14.440 1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.717 14.914 0.426 1.00 0.00 H new ATOM 854 N ASN A 56 -11.387 19.409 3.700 1.00 0.00 N ATOM 855 CA ASN A 56 -12.009 19.830 4.950 1.00 0.00 C ATOM 856 C ASN A 56 -13.159 18.900 5.326 1.00 0.00 C ATOM 857 O ASN A 56 -14.327 19.220 5.107 1.00 0.00 O ATOM 858 CB ASN A 56 -12.520 21.267 4.830 1.00 0.00 C ATOM 859 CG ASN A 56 -13.186 21.752 6.104 1.00 0.00 C ATOM 860 OD1 ASN A 56 -14.232 21.240 6.504 1.00 0.00 O ATOM 861 ND2 ASN A 56 -12.581 22.744 6.747 1.00 0.00 N ATOM 0 H ASN A 56 -11.959 19.566 2.870 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.255 19.783 5.736 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -11.688 21.926 4.585 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.230 21.330 4.005 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -12.982 23.112 7.610 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.715 23.138 6.378 1.00 0.00 H new ATOM 868 N PHE A 57 -12.819 17.747 5.892 1.00 0.00 N ATOM 869 CA PHE A 57 -13.822 16.770 6.299 1.00 0.00 C ATOM 870 C PHE A 57 -14.965 17.444 7.050 1.00 0.00 C ATOM 871 O PHE A 57 -16.127 17.346 6.653 1.00 0.00 O ATOM 872 CB PHE A 57 -13.186 15.690 7.177 1.00 0.00 C ATOM 873 CG PHE A 57 -14.046 14.470 7.344 1.00 0.00 C ATOM 874 CD1 PHE A 57 -15.141 14.490 8.193 1.00 0.00 C ATOM 875 CD2 PHE A 57 -13.760 13.304 6.653 1.00 0.00 C ATOM 876 CE1 PHE A 57 -15.934 13.368 8.350 1.00 0.00 C ATOM 877 CE2 PHE A 57 -14.549 12.180 6.805 1.00 0.00 C ATOM 878 CZ PHE A 57 -15.638 12.212 7.654 1.00 0.00 C ATOM 0 H PHE A 57 -11.856 17.466 6.079 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.226 16.306 5.400 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.231 15.395 6.742 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -12.972 16.111 8.159 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -15.378 15.392 8.738 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -12.910 13.273 5.987 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -16.784 13.395 9.016 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -14.314 11.277 6.260 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.257 11.335 7.773 1.00 0.00 H new ATOM 888 N ASP A 58 -14.628 18.128 8.138 1.00 0.00 N ATOM 889 CA ASP A 58 -15.626 18.820 8.946 1.00 0.00 C ATOM 890 C ASP A 58 -16.711 19.430 8.065 1.00 0.00 C ATOM 891 O ASP A 58 -17.879 19.486 8.450 1.00 0.00 O ATOM 892 CB ASP A 58 -14.963 19.910 9.790 1.00 0.00 C ATOM 893 CG ASP A 58 -13.974 20.738 8.993 1.00 0.00 C ATOM 894 OD1 ASP A 58 -12.986 20.162 8.491 1.00 0.00 O ATOM 895 OD2 ASP A 58 -14.189 21.962 8.871 1.00 0.00 O ATOM 0 H ASP A 58 -13.672 18.218 8.481 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.090 18.090 9.609 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.731 20.564 10.202 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.450 19.450 10.634 1.00 0.00 H new ATOM 900 N SER A 59 -16.316 19.888 6.881 1.00 0.00 N ATOM 901 CA SER A 59 -17.254 20.500 5.947 1.00 0.00 C ATOM 902 C SER A 59 -17.994 19.434 5.145 1.00 0.00 C ATOM 903 O SER A 59 -19.220 19.471 5.023 1.00 0.00 O ATOM 904 CB SER A 59 -16.517 21.447 4.999 1.00 0.00 C ATOM 905 OG SER A 59 -17.374 21.905 3.967 1.00 0.00 O ATOM 0 H SER A 59 -15.353 19.847 6.546 1.00 0.00 H new ATOM 0 HA SER A 59 -17.984 21.069 6.523 1.00 0.00 H new ATOM 0 HB2 SER A 59 -16.130 22.298 5.559 1.00 0.00 H new ATOM 0 HB3 SER A 59 -15.659 20.935 4.563 1.00 0.00 H new ATOM 0 HG SER A 59 -16.879 22.510 3.375 1.00 0.00 H new ATOM 911 N LEU A 60 -17.242 18.485 4.599 1.00 0.00 N ATOM 912 CA LEU A 60 -17.826 17.407 3.807 1.00 0.00 C ATOM 913 C LEU A 60 -18.975 16.741 4.557 1.00 0.00 C ATOM 914 O LEU A 60 -18.765 16.082 5.575 1.00 0.00 O ATOM 915 CB LEU A 60 -16.758 16.368 3.459 1.00 0.00 C ATOM 916 CG LEU A 60 -15.524 16.893 2.725 1.00 0.00 C ATOM 917 CD1 LEU A 60 -14.400 15.870 2.770 1.00 0.00 C ATOM 918 CD2 LEU A 60 -15.870 17.244 1.285 1.00 0.00 C ATOM 0 H LEU A 60 -16.227 18.440 4.690 1.00 0.00 H new ATOM 0 HA LEU A 60 -18.219 17.837 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.431 15.890 4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.219 15.594 2.845 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.184 17.798 3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.530 16.262 2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.134 15.667 3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.729 14.947 2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.980 17.616 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.236 16.355 0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.642 18.013 1.273 1.00 0.00 H new ATOM 930 N ASN A 61 -20.189 16.916 4.047 1.00 0.00 N ATOM 931 CA ASN A 61 -21.371 16.331 4.667 1.00 0.00 C ATOM 932 C ASN A 61 -21.938 15.206 3.806 1.00 0.00 C ATOM 933 O ASN A 61 -21.882 15.264 2.578 1.00 0.00 O ATOM 934 CB ASN A 61 -22.439 17.404 4.892 1.00 0.00 C ATOM 935 CG ASN A 61 -23.843 16.830 4.896 1.00 0.00 C ATOM 936 OD1 ASN A 61 -24.085 15.754 5.442 1.00 0.00 O ATOM 937 ND2 ASN A 61 -24.777 17.549 4.283 1.00 0.00 N ATOM 0 H ASN A 61 -20.380 17.459 3.205 1.00 0.00 H new ATOM 0 HA ASN A 61 -21.076 15.914 5.630 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -22.252 17.906 5.841 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -22.361 18.160 4.111 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -25.740 17.214 4.252 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -24.531 18.436 3.843 1.00 0.00 H new ATOM 944 N GLU A 62 -22.483 14.185 4.459 1.00 0.00 N ATOM 945 CA GLU A 62 -23.060 13.047 3.752 1.00 0.00 C ATOM 946 C GLU A 62 -23.722 13.494 2.452 1.00 0.00 C ATOM 947 O GLU A 62 -23.368 13.025 1.370 1.00 0.00 O ATOM 948 CB GLU A 62 -24.081 12.332 4.639 1.00 0.00 C ATOM 949 CG GLU A 62 -24.663 11.078 4.008 1.00 0.00 C ATOM 950 CD GLU A 62 -26.008 10.700 4.595 1.00 0.00 C ATOM 951 OE1 GLU A 62 -26.070 10.437 5.814 1.00 0.00 O ATOM 952 OE2 GLU A 62 -26.999 10.666 3.836 1.00 0.00 O ATOM 0 H GLU A 62 -22.537 14.122 5.476 1.00 0.00 H new ATOM 0 HA GLU A 62 -22.254 12.355 3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -23.606 12.067 5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -24.892 13.021 4.873 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.770 11.232 2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -23.966 10.251 4.143 1.00 0.00 H new ATOM 959 N ASP A 63 -24.686 14.401 2.567 1.00 0.00 N ATOM 960 CA ASP A 63 -25.398 14.912 1.402 1.00 0.00 C ATOM 961 C ASP A 63 -24.428 15.234 0.270 1.00 0.00 C ATOM 962 O ASP A 63 -24.693 14.932 -0.893 1.00 0.00 O ATOM 963 CB ASP A 63 -26.200 16.160 1.775 1.00 0.00 C ATOM 964 CG ASP A 63 -26.783 16.857 0.561 1.00 0.00 C ATOM 965 OD1 ASP A 63 -26.018 17.529 -0.161 1.00 0.00 O ATOM 966 OD2 ASP A 63 -28.005 16.731 0.334 1.00 0.00 O ATOM 0 H ASP A 63 -24.992 14.797 3.456 1.00 0.00 H new ATOM 0 HA ASP A 63 -26.084 14.138 1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -27.007 15.881 2.453 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -25.556 16.854 2.315 1.00 0.00 H new ATOM 971 N ASP A 64 -23.304 15.851 0.619 1.00 0.00 N ATOM 972 CA ASP A 64 -22.294 16.215 -0.368 1.00 0.00 C ATOM 973 C ASP A 64 -21.435 15.010 -0.736 1.00 0.00 C ATOM 974 O ASP A 64 -20.212 15.111 -0.827 1.00 0.00 O ATOM 975 CB ASP A 64 -21.410 17.343 0.168 1.00 0.00 C ATOM 976 CG ASP A 64 -22.110 18.687 0.144 1.00 0.00 C ATOM 977 OD1 ASP A 64 -22.797 18.982 -0.856 1.00 0.00 O ATOM 978 OD2 ASP A 64 -21.970 19.445 1.127 1.00 0.00 O ATOM 0 H ASP A 64 -23.070 16.109 1.577 1.00 0.00 H new ATOM 0 HA ASP A 64 -22.806 16.561 -1.266 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.110 17.111 1.190 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -20.499 17.400 -0.427 1.00 0.00 H new ATOM 983 N ALA A 65 -22.084 13.869 -0.946 1.00 0.00 N ATOM 984 CA ALA A 65 -21.379 12.644 -1.305 1.00 0.00 C ATOM 985 C ALA A 65 -20.659 12.797 -2.640 1.00 0.00 C ATOM 986 O ALA A 65 -19.438 12.660 -2.718 1.00 0.00 O ATOM 987 CB ALA A 65 -22.349 11.473 -1.357 1.00 0.00 C ATOM 0 H ALA A 65 -23.096 13.767 -0.874 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.630 12.447 -0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.809 10.565 -1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -22.814 11.342 -0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -23.119 11.671 -2.102 1.00 0.00 H new ATOM 993 N VAL A 66 -21.422 13.080 -3.691 1.00 0.00 N ATOM 994 CA VAL A 66 -20.857 13.252 -5.023 1.00 0.00 C ATOM 995 C VAL A 66 -19.639 14.169 -4.990 1.00 0.00 C ATOM 996 O VAL A 66 -18.603 13.863 -5.579 1.00 0.00 O ATOM 997 CB VAL A 66 -21.894 13.830 -6.004 1.00 0.00 C ATOM 998 CG1 VAL A 66 -21.276 14.031 -7.379 1.00 0.00 C ATOM 999 CG2 VAL A 66 -23.113 12.923 -6.085 1.00 0.00 C ATOM 0 H VAL A 66 -22.434 13.195 -3.645 1.00 0.00 H new ATOM 0 HA VAL A 66 -20.555 12.263 -5.367 1.00 0.00 H new ATOM 0 HB VAL A 66 -22.217 14.803 -5.633 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -22.024 14.440 -8.058 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -20.438 14.723 -7.303 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -20.923 13.074 -7.763 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -23.836 13.346 -6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -22.809 11.935 -6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -23.568 12.837 -5.098 1.00 0.00 H new ATOM 1009 N GLU A 67 -19.772 15.295 -4.296 1.00 0.00 N ATOM 1010 CA GLU A 67 -18.682 16.257 -4.186 1.00 0.00 C ATOM 1011 C GLU A 67 -17.519 15.673 -3.389 1.00 0.00 C ATOM 1012 O GLU A 67 -16.361 15.791 -3.785 1.00 0.00 O ATOM 1013 CB GLU A 67 -19.174 17.545 -3.521 1.00 0.00 C ATOM 1014 CG GLU A 67 -20.082 18.380 -4.409 1.00 0.00 C ATOM 1015 CD GLU A 67 -19.325 19.091 -5.514 1.00 0.00 C ATOM 1016 OE1 GLU A 67 -19.061 18.456 -6.556 1.00 0.00 O ATOM 1017 OE2 GLU A 67 -18.996 20.282 -5.335 1.00 0.00 O ATOM 0 H GLU A 67 -20.623 15.563 -3.802 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.332 16.487 -5.192 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.709 17.290 -2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.312 18.146 -3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -20.843 17.737 -4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.603 19.117 -3.798 1.00 0.00 H new ATOM 1024 N ASN A 68 -17.838 15.043 -2.263 1.00 0.00 N ATOM 1025 CA ASN A 68 -16.821 14.442 -1.409 1.00 0.00 C ATOM 1026 C ASN A 68 -15.907 13.524 -2.216 1.00 0.00 C ATOM 1027 O ASN A 68 -14.689 13.539 -2.046 1.00 0.00 O ATOM 1028 CB ASN A 68 -17.478 13.655 -0.273 1.00 0.00 C ATOM 1029 CG ASN A 68 -18.237 14.551 0.687 1.00 0.00 C ATOM 1030 OD1 ASN A 68 -17.980 15.752 0.767 1.00 0.00 O ATOM 1031 ND2 ASN A 68 -19.178 13.968 1.421 1.00 0.00 N ATOM 0 H ASN A 68 -18.793 14.936 -1.921 1.00 0.00 H new ATOM 0 HA ASN A 68 -16.218 15.245 -0.984 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -18.161 12.917 -0.694 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -16.713 13.106 0.275 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.722 14.520 2.085 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.357 12.969 1.321 1.00 0.00 H new ATOM 1038 N ASN A 69 -16.505 12.726 -3.094 1.00 0.00 N ATOM 1039 CA ASN A 69 -15.746 11.801 -3.928 1.00 0.00 C ATOM 1040 C ASN A 69 -14.901 12.557 -4.949 1.00 0.00 C ATOM 1041 O ASN A 69 -13.675 12.453 -4.954 1.00 0.00 O ATOM 1042 CB ASN A 69 -16.690 10.835 -4.645 1.00 0.00 C ATOM 1043 CG ASN A 69 -17.386 9.887 -3.687 1.00 0.00 C ATOM 1044 OD1 ASN A 69 -16.741 9.230 -2.869 1.00 0.00 O ATOM 1045 ND2 ASN A 69 -18.708 9.814 -3.783 1.00 0.00 N ATOM 0 H ASN A 69 -17.513 12.701 -3.247 1.00 0.00 H new ATOM 0 HA ASN A 69 -15.079 11.232 -3.281 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -17.439 11.405 -5.196 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -16.126 10.257 -5.378 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -19.231 9.195 -3.164 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -19.201 10.377 -4.476 1.00 0.00 H new ATOM 1052 N GLN A 70 -15.567 13.318 -5.812 1.00 0.00 N ATOM 1053 CA GLN A 70 -14.878 14.091 -6.838 1.00 0.00 C ATOM 1054 C GLN A 70 -13.717 14.878 -6.238 1.00 0.00 C ATOM 1055 O GLN A 70 -12.648 14.984 -6.841 1.00 0.00 O ATOM 1056 CB GLN A 70 -15.854 15.046 -7.529 1.00 0.00 C ATOM 1057 CG GLN A 70 -16.537 14.442 -8.745 1.00 0.00 C ATOM 1058 CD GLN A 70 -15.612 14.333 -9.940 1.00 0.00 C ATOM 1059 OE1 GLN A 70 -14.868 13.236 -10.016 1.00 0.00 O flip ATOM 1060 NE2 GLN A 70 -15.566 15.225 -10.788 1.00 0.00 N flip ATOM 0 H GLN A 70 -16.582 13.415 -5.821 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.479 13.395 -7.575 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.614 15.357 -6.812 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.317 15.944 -7.833 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.914 13.451 -8.491 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -17.400 15.052 -9.013 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -16.155 16.052 -10.691 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.939 15.137 -11.587 1.00 0.00 H new ATOM 1069 N LEU A 71 -13.934 15.429 -5.049 1.00 0.00 N ATOM 1070 CA LEU A 71 -12.905 16.207 -4.367 1.00 0.00 C ATOM 1071 C LEU A 71 -11.637 15.382 -4.173 1.00 0.00 C ATOM 1072 O LEU A 71 -10.602 15.665 -4.776 1.00 0.00 O ATOM 1073 CB LEU A 71 -13.422 16.696 -3.013 1.00 0.00 C ATOM 1074 CG LEU A 71 -12.505 17.654 -2.251 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -12.188 18.876 -3.098 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -13.143 18.067 -0.933 1.00 0.00 C ATOM 0 H LEU A 71 -14.813 15.352 -4.537 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.663 17.069 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -14.381 17.190 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.610 15.827 -2.383 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.571 17.136 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.535 19.546 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.689 18.563 -4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -13.113 19.396 -3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.477 18.749 -0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -14.092 18.566 -1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.318 17.182 -0.321 1.00 0.00 H new ATOM 1088 N ALA A 72 -11.727 14.359 -3.330 1.00 0.00 N ATOM 1089 CA ALA A 72 -10.588 13.490 -3.059 1.00 0.00 C ATOM 1090 C ALA A 72 -9.864 13.118 -4.349 1.00 0.00 C ATOM 1091 O ALA A 72 -8.637 13.190 -4.426 1.00 0.00 O ATOM 1092 CB ALA A 72 -11.043 12.236 -2.327 1.00 0.00 C ATOM 0 H ALA A 72 -12.577 14.111 -2.823 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.889 14.035 -2.424 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.182 11.596 -2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.510 12.515 -1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -11.763 11.697 -2.942 1.00 0.00 H new ATOM 1098 N PHE A 73 -10.630 12.718 -5.358 1.00 0.00 N ATOM 1099 CA PHE A 73 -10.060 12.332 -6.644 1.00 0.00 C ATOM 1100 C PHE A 73 -9.231 13.469 -7.235 1.00 0.00 C ATOM 1101 O PHE A 73 -8.085 13.272 -7.637 1.00 0.00 O ATOM 1102 CB PHE A 73 -11.170 11.935 -7.619 1.00 0.00 C ATOM 1103 CG PHE A 73 -11.929 10.710 -7.197 1.00 0.00 C ATOM 1104 CD1 PHE A 73 -11.263 9.609 -6.683 1.00 0.00 C ATOM 1105 CD2 PHE A 73 -13.309 10.658 -7.314 1.00 0.00 C ATOM 1106 CE1 PHE A 73 -11.958 8.480 -6.293 1.00 0.00 C ATOM 1107 CE2 PHE A 73 -14.010 9.532 -6.926 1.00 0.00 C ATOM 1108 CZ PHE A 73 -13.334 8.441 -6.415 1.00 0.00 C ATOM 0 H PHE A 73 -11.647 12.653 -5.311 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.406 11.476 -6.481 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.867 12.767 -7.722 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.734 11.761 -8.603 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -10.188 9.633 -6.586 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -13.843 11.508 -7.713 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -11.426 7.629 -5.893 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -15.085 9.505 -7.022 1.00 0.00 H new ATOM 0 HZ PHE A 73 -13.880 7.560 -6.112 1.00 0.00 H new ATOM 1118 N ASP A 74 -9.821 14.659 -7.284 1.00 0.00 N ATOM 1119 CA ASP A 74 -9.138 15.828 -7.824 1.00 0.00 C ATOM 1120 C ASP A 74 -7.853 16.112 -7.053 1.00 0.00 C ATOM 1121 O ASP A 74 -6.810 16.392 -7.645 1.00 0.00 O ATOM 1122 CB ASP A 74 -10.057 17.050 -7.776 1.00 0.00 C ATOM 1123 CG ASP A 74 -9.497 18.227 -8.549 1.00 0.00 C ATOM 1124 OD1 ASP A 74 -9.329 18.102 -9.781 1.00 0.00 O ATOM 1125 OD2 ASP A 74 -9.228 19.273 -7.924 1.00 0.00 O ATOM 0 H ASP A 74 -10.770 14.839 -6.956 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.879 15.619 -8.862 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.033 16.783 -8.183 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.214 17.343 -6.738 1.00 0.00 H new ATOM 1130 N VAL A 75 -7.935 16.040 -5.728 1.00 0.00 N ATOM 1131 CA VAL A 75 -6.779 16.289 -4.876 1.00 0.00 C ATOM 1132 C VAL A 75 -5.697 15.239 -5.097 1.00 0.00 C ATOM 1133 O VAL A 75 -4.506 15.551 -5.105 1.00 0.00 O ATOM 1134 CB VAL A 75 -7.172 16.299 -3.386 1.00 0.00 C ATOM 1135 CG1 VAL A 75 -5.949 16.531 -2.513 1.00 0.00 C ATOM 1136 CG2 VAL A 75 -8.233 17.357 -3.123 1.00 0.00 C ATOM 0 H VAL A 75 -8.790 15.811 -5.222 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.390 17.270 -5.149 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.591 15.325 -3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.246 16.535 -1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.225 15.734 -2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.498 17.491 -2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.499 17.351 -2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.843 18.338 -3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.118 17.141 -3.721 1.00 0.00 H new ATOM 1146 N ALA A 76 -6.118 13.991 -5.276 1.00 0.00 N ATOM 1147 CA ALA A 76 -5.185 12.894 -5.500 1.00 0.00 C ATOM 1148 C ALA A 76 -4.557 12.982 -6.887 1.00 0.00 C ATOM 1149 O ALA A 76 -3.467 12.460 -7.119 1.00 0.00 O ATOM 1150 CB ALA A 76 -5.888 11.557 -5.321 1.00 0.00 C ATOM 0 H ALA A 76 -7.100 13.715 -5.270 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.387 12.973 -4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.179 10.747 -5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.283 11.486 -4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.707 11.478 -6.036 1.00 0.00 H new ATOM 1156 N GLU A 77 -5.253 13.645 -7.806 1.00 0.00 N ATOM 1157 CA GLU A 77 -4.763 13.799 -9.171 1.00 0.00 C ATOM 1158 C GLU A 77 -4.009 15.115 -9.333 1.00 0.00 C ATOM 1159 O GLU A 77 -3.303 15.321 -10.320 1.00 0.00 O ATOM 1160 CB GLU A 77 -5.926 13.739 -10.163 1.00 0.00 C ATOM 1161 CG GLU A 77 -5.491 13.472 -11.595 1.00 0.00 C ATOM 1162 CD GLU A 77 -6.479 14.006 -12.613 1.00 0.00 C ATOM 1163 OE1 GLU A 77 -7.046 15.094 -12.376 1.00 0.00 O ATOM 1164 OE2 GLU A 77 -6.686 13.337 -13.647 1.00 0.00 O ATOM 0 H GLU A 77 -6.157 14.084 -7.630 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.075 12.979 -9.378 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.619 12.958 -9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.472 14.682 -10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.516 13.929 -11.766 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.370 12.398 -11.740 1.00 0.00 H new ATOM 1171 N ARG A 78 -4.164 16.003 -8.356 1.00 0.00 N ATOM 1172 CA ARG A 78 -3.499 17.300 -8.391 1.00 0.00 C ATOM 1173 C ARG A 78 -2.257 17.299 -7.504 1.00 0.00 C ATOM 1174 O ARG A 78 -1.297 18.023 -7.764 1.00 0.00 O ATOM 1175 CB ARG A 78 -4.460 18.401 -7.938 1.00 0.00 C ATOM 1176 CG ARG A 78 -3.814 19.774 -7.848 1.00 0.00 C ATOM 1177 CD ARG A 78 -3.352 20.263 -9.212 1.00 0.00 C ATOM 1178 NE ARG A 78 -3.120 21.705 -9.227 1.00 0.00 N ATOM 1179 CZ ARG A 78 -2.701 22.371 -10.298 1.00 0.00 C ATOM 1180 NH1 ARG A 78 -2.470 21.728 -11.434 1.00 0.00 N ATOM 1181 NH2 ARG A 78 -2.513 23.683 -10.233 1.00 0.00 N ATOM 0 H ARG A 78 -4.744 15.848 -7.531 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.191 17.495 -9.418 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.299 18.448 -8.633 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.869 18.136 -6.963 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.525 20.485 -7.427 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.963 19.733 -7.168 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.434 19.745 -9.491 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.102 20.009 -9.961 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.289 22.229 -8.369 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.614 20.720 -11.488 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.148 22.242 -12.254 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.690 24.181 -9.361 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.191 24.193 -11.055 1.00 0.00 H new ATOM 1195 N GLU A 79 -2.285 16.480 -6.457 1.00 0.00 N ATOM 1196 CA GLU A 79 -1.161 16.386 -5.532 1.00 0.00 C ATOM 1197 C GLU A 79 -0.330 15.137 -5.811 1.00 0.00 C ATOM 1198 O GLU A 79 0.881 15.217 -6.020 1.00 0.00 O ATOM 1199 CB GLU A 79 -1.662 16.367 -4.087 1.00 0.00 C ATOM 1200 CG GLU A 79 -2.330 17.662 -3.657 1.00 0.00 C ATOM 1201 CD GLU A 79 -1.391 18.851 -3.718 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -1.263 19.450 -4.807 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -0.784 19.183 -2.679 1.00 0.00 O ATOM 0 H GLU A 79 -3.072 15.873 -6.228 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.529 17.262 -5.678 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.369 15.546 -3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.822 16.163 -3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.192 17.851 -4.296 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.706 17.552 -2.640 1.00 0.00 H new ATOM 1210 N PHE A 80 -0.989 13.983 -5.811 1.00 0.00 N ATOM 1211 CA PHE A 80 -0.312 12.716 -6.062 1.00 0.00 C ATOM 1212 C PHE A 80 -0.221 12.435 -7.559 1.00 0.00 C ATOM 1213 O PHE A 80 0.581 11.614 -8.000 1.00 0.00 O ATOM 1214 CB PHE A 80 -1.049 11.572 -5.361 1.00 0.00 C ATOM 1215 CG PHE A 80 -1.367 11.858 -3.921 1.00 0.00 C ATOM 1216 CD1 PHE A 80 -0.382 12.307 -3.057 1.00 0.00 C ATOM 1217 CD2 PHE A 80 -2.651 11.677 -3.433 1.00 0.00 C ATOM 1218 CE1 PHE A 80 -0.672 12.570 -1.731 1.00 0.00 C ATOM 1219 CE2 PHE A 80 -2.947 11.939 -2.108 1.00 0.00 C ATOM 1220 CZ PHE A 80 -1.956 12.386 -1.257 1.00 0.00 C ATOM 0 H PHE A 80 -1.991 13.899 -5.640 1.00 0.00 H new ATOM 0 HA PHE A 80 0.699 12.788 -5.661 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.976 11.366 -5.896 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.441 10.669 -5.418 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.623 12.453 -3.423 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.429 11.327 -4.095 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.105 12.919 -1.067 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.952 11.794 -1.739 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.185 12.592 -0.222 1.00 0.00 H new ATOM 1230 N GLY A 81 -1.052 13.125 -8.336 1.00 0.00 N ATOM 1231 CA GLY A 81 -1.050 12.935 -9.775 1.00 0.00 C ATOM 1232 C GLY A 81 -1.610 11.587 -10.183 1.00 0.00 C ATOM 1233 O GLY A 81 -1.211 11.025 -11.204 1.00 0.00 O ATOM 0 H GLY A 81 -1.725 13.811 -7.995 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.636 13.725 -10.243 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.031 13.030 -10.149 1.00 0.00 H new ATOM 1237 N ILE A 82 -2.536 11.067 -9.385 1.00 0.00 N ATOM 1238 CA ILE A 82 -3.151 9.776 -9.669 1.00 0.00 C ATOM 1239 C ILE A 82 -4.515 9.950 -10.329 1.00 0.00 C ATOM 1240 O ILE A 82 -5.420 10.582 -9.783 1.00 0.00 O ATOM 1241 CB ILE A 82 -3.316 8.937 -8.388 1.00 0.00 C ATOM 1242 CG1 ILE A 82 -1.951 8.659 -7.755 1.00 0.00 C ATOM 1243 CG2 ILE A 82 -4.038 7.634 -8.697 1.00 0.00 C ATOM 1244 CD1 ILE A 82 -2.038 7.982 -6.405 1.00 0.00 C ATOM 0 H ILE A 82 -2.877 11.519 -8.537 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.483 9.252 -10.353 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.917 9.502 -7.676 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.367 8.033 -8.430 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.411 9.600 -7.647 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.147 7.052 -7.782 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.024 7.853 -9.107 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.461 7.062 -9.424 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.033 7.816 -6.016 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.594 8.617 -5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.549 7.025 -6.510 1.00 0.00 H new ATOM 1256 N PRO A 83 -4.668 9.375 -11.531 1.00 0.00 N ATOM 1257 CA PRO A 83 -5.920 9.450 -12.290 1.00 0.00 C ATOM 1258 C PRO A 83 -7.037 8.635 -11.649 1.00 0.00 C ATOM 1259 O PRO A 83 -6.860 7.472 -11.286 1.00 0.00 O ATOM 1260 CB PRO A 83 -5.544 8.862 -13.653 1.00 0.00 C ATOM 1261 CG PRO A 83 -4.387 7.966 -13.372 1.00 0.00 C ATOM 1262 CD PRO A 83 -3.632 8.606 -12.240 1.00 0.00 C ATOM 0 HA PRO A 83 -6.305 10.468 -12.341 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.376 8.309 -14.089 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.275 9.645 -14.362 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.725 6.966 -13.099 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -3.753 7.859 -14.252 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.171 7.860 -11.592 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.832 9.250 -12.604 1.00 0.00 H new ATOM 1270 N PRO A 84 -8.217 9.257 -11.505 1.00 0.00 N ATOM 1271 CA PRO A 84 -9.387 8.606 -10.907 1.00 0.00 C ATOM 1272 C PRO A 84 -9.961 7.512 -11.801 1.00 0.00 C ATOM 1273 O PRO A 84 -9.951 7.628 -13.026 1.00 0.00 O ATOM 1274 CB PRO A 84 -10.390 9.752 -10.753 1.00 0.00 C ATOM 1275 CG PRO A 84 -9.995 10.744 -11.793 1.00 0.00 C ATOM 1276 CD PRO A 84 -8.500 10.642 -11.915 1.00 0.00 C ATOM 0 HA PRO A 84 -9.142 8.107 -9.969 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.413 9.406 -10.904 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.345 10.186 -9.754 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.480 10.526 -12.744 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.295 11.752 -11.505 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.166 10.835 -12.934 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.994 11.362 -11.272 1.00 0.00 H new ATOM 1284 N VAL A 85 -10.463 6.450 -11.179 1.00 0.00 N ATOM 1285 CA VAL A 85 -11.044 5.335 -11.919 1.00 0.00 C ATOM 1286 C VAL A 85 -12.491 5.624 -12.301 1.00 0.00 C ATOM 1287 O VAL A 85 -12.904 5.389 -13.437 1.00 0.00 O ATOM 1288 CB VAL A 85 -10.991 4.031 -11.101 1.00 0.00 C ATOM 1289 CG1 VAL A 85 -9.549 3.624 -10.838 1.00 0.00 C ATOM 1290 CG2 VAL A 85 -11.755 4.190 -9.796 1.00 0.00 C ATOM 0 H VAL A 85 -10.479 6.338 -10.165 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.450 5.212 -12.825 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.467 3.240 -11.680 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.531 2.701 -10.259 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.036 3.467 -11.787 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.045 4.412 -10.279 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.707 3.259 -9.231 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.310 4.994 -9.210 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.796 4.431 -10.011 1.00 0.00 H new ATOM 1300 N THR A 86 -13.260 6.136 -11.345 1.00 0.00 N ATOM 1301 CA THR A 86 -14.662 6.457 -11.580 1.00 0.00 C ATOM 1302 C THR A 86 -14.972 7.895 -11.178 1.00 0.00 C ATOM 1303 O THR A 86 -14.168 8.553 -10.517 1.00 0.00 O ATOM 1304 CB THR A 86 -15.593 5.507 -10.804 1.00 0.00 C ATOM 1305 OG1 THR A 86 -16.961 5.810 -11.103 1.00 0.00 O ATOM 1306 CG2 THR A 86 -15.358 5.623 -9.306 1.00 0.00 C ATOM 0 H THR A 86 -12.935 6.337 -10.400 1.00 0.00 H new ATOM 0 HA THR A 86 -14.839 6.335 -12.649 1.00 0.00 H new ATOM 0 HB THR A 86 -15.372 4.485 -11.112 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.547 5.201 -10.607 1.00 0.00 H new ATOM 0 HG21 THR A 86 -16.027 4.943 -8.779 1.00 0.00 H new ATOM 0 HG22 THR A 86 -14.324 5.364 -9.079 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.554 6.646 -8.985 1.00 0.00 H new ATOM 1314 N THR A 87 -16.143 8.377 -11.581 1.00 0.00 N ATOM 1315 CA THR A 87 -16.559 9.737 -11.264 1.00 0.00 C ATOM 1316 C THR A 87 -17.400 9.772 -9.992 1.00 0.00 C ATOM 1317 O THR A 87 -18.246 8.907 -9.772 1.00 0.00 O ATOM 1318 CB THR A 87 -17.367 10.361 -12.417 1.00 0.00 C ATOM 1319 OG1 THR A 87 -18.515 9.555 -12.704 1.00 0.00 O ATOM 1320 CG2 THR A 87 -16.511 10.496 -13.667 1.00 0.00 C ATOM 0 H THR A 87 -16.820 7.845 -12.128 1.00 0.00 H new ATOM 0 HA THR A 87 -15.650 10.318 -11.112 1.00 0.00 H new ATOM 0 HB THR A 87 -17.690 11.355 -12.108 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.024 9.960 -13.437 1.00 0.00 H new ATOM 0 HG21 THR A 87 -17.103 10.939 -14.468 1.00 0.00 H new ATOM 0 HG22 THR A 87 -15.654 11.135 -13.454 1.00 0.00 H new ATOM 0 HG23 THR A 87 -16.161 9.511 -13.977 1.00 0.00 H new ATOM 1328 N GLY A 88 -17.161 10.780 -9.158 1.00 0.00 N ATOM 1329 CA GLY A 88 -17.905 10.909 -7.919 1.00 0.00 C ATOM 1330 C GLY A 88 -19.362 10.523 -8.075 1.00 0.00 C ATOM 1331 O GLY A 88 -19.893 9.739 -7.288 1.00 0.00 O ATOM 0 H GLY A 88 -16.466 11.509 -9.319 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.446 10.281 -7.156 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.841 11.938 -7.566 1.00 0.00 H new ATOM 1335 N LYS A 89 -20.014 11.077 -9.092 1.00 0.00 N ATOM 1336 CA LYS A 89 -21.419 10.787 -9.350 1.00 0.00 C ATOM 1337 C LYS A 89 -21.675 9.284 -9.347 1.00 0.00 C ATOM 1338 O LYS A 89 -22.413 8.772 -8.505 1.00 0.00 O ATOM 1339 CB LYS A 89 -21.847 11.385 -10.692 1.00 0.00 C ATOM 1340 CG LYS A 89 -22.149 12.872 -10.627 1.00 0.00 C ATOM 1341 CD LYS A 89 -23.569 13.133 -10.153 1.00 0.00 C ATOM 1342 CE LYS A 89 -24.123 14.425 -10.734 1.00 0.00 C ATOM 1343 NZ LYS A 89 -23.604 15.622 -10.017 1.00 0.00 N ATOM 0 H LYS A 89 -19.591 11.730 -9.751 1.00 0.00 H new ATOM 0 HA LYS A 89 -22.009 11.239 -8.553 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -21.058 11.215 -11.424 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -22.732 10.858 -11.049 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -21.444 13.358 -9.952 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -22.006 13.317 -11.612 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -24.209 12.299 -10.442 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -23.586 13.186 -9.064 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -23.859 14.491 -11.790 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -25.211 14.411 -10.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -24.005 16.482 -10.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -23.877 15.572 -9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -22.567 15.649 -10.092 1.00 0.00 H new ATOM 1357 N GLU A 90 -21.058 8.581 -10.292 1.00 0.00 N ATOM 1358 CA GLU A 90 -21.219 7.136 -10.396 1.00 0.00 C ATOM 1359 C GLU A 90 -20.861 6.452 -9.080 1.00 0.00 C ATOM 1360 O GLU A 90 -21.579 5.569 -8.612 1.00 0.00 O ATOM 1361 CB GLU A 90 -20.347 6.583 -11.525 1.00 0.00 C ATOM 1362 CG GLU A 90 -20.851 5.269 -12.097 1.00 0.00 C ATOM 1363 CD GLU A 90 -20.114 4.859 -13.357 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -20.460 5.377 -14.440 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -19.193 4.022 -13.261 1.00 0.00 O ATOM 0 H GLU A 90 -20.443 8.989 -10.996 1.00 0.00 H new ATOM 0 HA GLU A 90 -22.265 6.928 -10.620 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -20.293 7.321 -12.325 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -19.332 6.442 -11.153 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.743 4.486 -11.347 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -21.915 5.357 -12.316 1.00 0.00 H new ATOM 1372 N MET A 91 -19.745 6.866 -8.490 1.00 0.00 N ATOM 1373 CA MET A 91 -19.291 6.294 -7.227 1.00 0.00 C ATOM 1374 C MET A 91 -20.428 6.245 -6.212 1.00 0.00 C ATOM 1375 O MET A 91 -20.692 5.204 -5.612 1.00 0.00 O ATOM 1376 CB MET A 91 -18.124 7.109 -6.664 1.00 0.00 C ATOM 1377 CG MET A 91 -17.311 6.362 -5.619 1.00 0.00 C ATOM 1378 SD MET A 91 -16.596 4.835 -6.255 1.00 0.00 S ATOM 1379 CE MET A 91 -17.016 3.691 -4.943 1.00 0.00 C ATOM 0 H MET A 91 -19.138 7.595 -8.865 1.00 0.00 H new ATOM 0 HA MET A 91 -18.955 5.275 -7.419 1.00 0.00 H new ATOM 0 HB2 MET A 91 -17.467 7.402 -7.483 1.00 0.00 H new ATOM 0 HB3 MET A 91 -18.512 8.027 -6.223 1.00 0.00 H new ATOM 0 HG2 MET A 91 -16.512 7.009 -5.256 1.00 0.00 H new ATOM 0 HG3 MET A 91 -17.948 6.132 -4.765 1.00 0.00 H new ATOM 0 HE1 MET A 91 -16.800 2.672 -5.266 1.00 0.00 H new ATOM 0 HE2 MET A 91 -16.427 3.923 -4.056 1.00 0.00 H new ATOM 0 HE3 MET A 91 -18.077 3.780 -4.708 1.00 0.00 H new ATOM 1389 N ALA A 92 -21.098 7.378 -6.025 1.00 0.00 N ATOM 1390 CA ALA A 92 -22.208 7.463 -5.084 1.00 0.00 C ATOM 1391 C ALA A 92 -23.445 6.758 -5.630 1.00 0.00 C ATOM 1392 O ALA A 92 -24.175 6.100 -4.888 1.00 0.00 O ATOM 1393 CB ALA A 92 -22.523 8.918 -4.770 1.00 0.00 C ATOM 0 H ALA A 92 -20.891 8.250 -6.513 1.00 0.00 H new ATOM 0 HA ALA A 92 -21.912 6.960 -4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -23.354 8.967 -4.066 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -21.646 9.393 -4.330 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -22.795 9.438 -5.689 1.00 0.00 H new ATOM 1399 N SER A 93 -23.676 6.899 -6.931 1.00 0.00 N ATOM 1400 CA SER A 93 -24.828 6.279 -7.575 1.00 0.00 C ATOM 1401 C SER A 93 -24.794 4.763 -7.407 1.00 0.00 C ATOM 1402 O SER A 93 -25.663 4.180 -6.760 1.00 0.00 O ATOM 1403 CB SER A 93 -24.862 6.638 -9.062 1.00 0.00 C ATOM 1404 OG SER A 93 -25.534 7.868 -9.274 1.00 0.00 O ATOM 0 H SER A 93 -23.080 7.437 -7.560 1.00 0.00 H new ATOM 0 HA SER A 93 -25.730 6.660 -7.096 1.00 0.00 H new ATOM 0 HB2 SER A 93 -23.844 6.705 -9.447 1.00 0.00 H new ATOM 0 HB3 SER A 93 -25.362 5.846 -9.619 1.00 0.00 H new ATOM 0 HG SER A 93 -25.541 8.076 -10.232 1.00 0.00 H new ATOM 1410 N ALA A 94 -23.783 4.132 -7.995 1.00 0.00 N ATOM 1411 CA ALA A 94 -23.633 2.684 -7.909 1.00 0.00 C ATOM 1412 C ALA A 94 -23.725 2.208 -6.463 1.00 0.00 C ATOM 1413 O ALA A 94 -22.905 2.580 -5.625 1.00 0.00 O ATOM 1414 CB ALA A 94 -22.311 2.253 -8.526 1.00 0.00 C ATOM 0 H ALA A 94 -23.056 4.600 -8.536 1.00 0.00 H new ATOM 0 HA ALA A 94 -24.449 2.225 -8.468 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -22.212 1.170 -8.455 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -22.284 2.552 -9.574 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.488 2.728 -7.992 1.00 0.00 H new ATOM 1420 N GLN A 95 -24.728 1.383 -6.180 1.00 0.00 N ATOM 1421 CA GLN A 95 -24.926 0.857 -4.834 1.00 0.00 C ATOM 1422 C GLN A 95 -23.757 -0.030 -4.419 1.00 0.00 C ATOM 1423 O GLN A 95 -23.256 0.073 -3.300 1.00 0.00 O ATOM 1424 CB GLN A 95 -26.234 0.066 -4.761 1.00 0.00 C ATOM 1425 CG GLN A 95 -26.287 -1.112 -5.721 1.00 0.00 C ATOM 1426 CD GLN A 95 -27.549 -1.936 -5.564 1.00 0.00 C ATOM 1427 OE1 GLN A 95 -28.098 -2.049 -4.468 1.00 0.00 O ATOM 1428 NE2 GLN A 95 -28.017 -2.518 -6.662 1.00 0.00 N ATOM 0 H GLN A 95 -25.415 1.065 -6.863 1.00 0.00 H new ATOM 0 HA GLN A 95 -24.980 1.700 -4.145 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -26.372 -0.299 -3.743 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -27.067 0.736 -4.975 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -26.223 -0.744 -6.745 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -25.418 -1.750 -5.556 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -27.530 -2.398 -7.550 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -28.863 -3.085 -6.617 1.00 0.00 H new ATOM 1437 N GLU A 96 -23.329 -0.901 -5.327 1.00 0.00 N ATOM 1438 CA GLU A 96 -22.220 -1.807 -5.053 1.00 0.00 C ATOM 1439 C GLU A 96 -21.207 -1.788 -6.194 1.00 0.00 C ATOM 1440 O GLU A 96 -21.360 -2.475 -7.205 1.00 0.00 O ATOM 1441 CB GLU A 96 -22.736 -3.231 -4.838 1.00 0.00 C ATOM 1442 CG GLU A 96 -21.758 -4.128 -4.099 1.00 0.00 C ATOM 1443 CD GLU A 96 -22.391 -5.425 -3.635 1.00 0.00 C ATOM 1444 OE1 GLU A 96 -23.223 -5.380 -2.705 1.00 0.00 O ATOM 1445 OE2 GLU A 96 -22.055 -6.485 -4.203 1.00 0.00 O ATOM 0 H GLU A 96 -23.733 -0.998 -6.258 1.00 0.00 H new ATOM 0 HA GLU A 96 -21.724 -1.467 -4.144 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.671 -3.189 -4.279 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -22.963 -3.676 -5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -20.914 -4.353 -4.751 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -21.361 -3.593 -3.236 1.00 0.00 H new ATOM 1452 N PRO A 97 -20.148 -0.981 -6.031 1.00 0.00 N ATOM 1453 CA PRO A 97 -19.089 -0.853 -7.037 1.00 0.00 C ATOM 1454 C PRO A 97 -18.237 -2.113 -7.146 1.00 0.00 C ATOM 1455 O PRO A 97 -18.402 -3.055 -6.371 1.00 0.00 O ATOM 1456 CB PRO A 97 -18.249 0.318 -6.519 1.00 0.00 C ATOM 1457 CG PRO A 97 -18.486 0.333 -5.049 1.00 0.00 C ATOM 1458 CD PRO A 97 -19.901 -0.134 -4.852 1.00 0.00 C ATOM 0 HA PRO A 97 -19.493 -0.697 -8.037 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -17.192 0.179 -6.748 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.554 1.258 -6.979 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -17.784 -0.322 -4.534 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.345 1.334 -4.641 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -20.014 -0.694 -3.924 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.598 0.703 -4.805 1.00 0.00 H new ATOM 1466 N ASP A 98 -17.325 -2.123 -8.112 1.00 0.00 N ATOM 1467 CA ASP A 98 -16.446 -3.267 -8.322 1.00 0.00 C ATOM 1468 C ASP A 98 -15.340 -3.302 -7.271 1.00 0.00 C ATOM 1469 O ASP A 98 -14.381 -2.533 -7.337 1.00 0.00 O ATOM 1470 CB ASP A 98 -15.834 -3.217 -9.723 1.00 0.00 C ATOM 1471 CG ASP A 98 -15.489 -4.595 -10.253 1.00 0.00 C ATOM 1472 OD1 ASP A 98 -16.261 -5.541 -9.993 1.00 0.00 O ATOM 1473 OD2 ASP A 98 -14.448 -4.726 -10.930 1.00 0.00 O ATOM 0 H ASP A 98 -17.175 -1.351 -8.762 1.00 0.00 H new ATOM 0 HA ASP A 98 -17.042 -4.175 -8.227 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -16.533 -2.733 -10.405 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.934 -2.603 -9.701 1.00 0.00 H new ATOM 1478 N LYS A 99 -15.481 -4.199 -6.302 1.00 0.00 N ATOM 1479 CA LYS A 99 -14.495 -4.336 -5.236 1.00 0.00 C ATOM 1480 C LYS A 99 -13.081 -4.146 -5.775 1.00 0.00 C ATOM 1481 O LYS A 99 -12.241 -3.513 -5.134 1.00 0.00 O ATOM 1482 CB LYS A 99 -14.619 -5.710 -4.572 1.00 0.00 C ATOM 1483 CG LYS A 99 -13.743 -5.871 -3.342 1.00 0.00 C ATOM 1484 CD LYS A 99 -13.971 -7.214 -2.668 1.00 0.00 C ATOM 1485 CE LYS A 99 -15.232 -7.203 -1.816 1.00 0.00 C ATOM 1486 NZ LYS A 99 -14.996 -6.580 -0.484 1.00 0.00 N ATOM 0 H LYS A 99 -16.269 -4.843 -6.232 1.00 0.00 H new ATOM 0 HA LYS A 99 -14.689 -3.562 -4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -15.659 -5.876 -4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.357 -6.480 -5.298 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.695 -5.779 -3.626 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.954 -5.068 -2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.049 -7.994 -3.425 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.111 -7.460 -2.045 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -16.018 -6.657 -2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.588 -8.224 -1.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.879 -6.592 0.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.264 -7.115 0.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.681 -5.597 -0.611 1.00 0.00 H new ATOM 1500 N LEU A 100 -12.825 -4.695 -6.957 1.00 0.00 N ATOM 1501 CA LEU A 100 -11.512 -4.584 -7.584 1.00 0.00 C ATOM 1502 C LEU A 100 -11.171 -3.127 -7.879 1.00 0.00 C ATOM 1503 O LEU A 100 -10.254 -2.562 -7.283 1.00 0.00 O ATOM 1504 CB LEU A 100 -11.472 -5.401 -8.877 1.00 0.00 C ATOM 1505 CG LEU A 100 -11.046 -6.863 -8.734 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -9.629 -6.955 -8.191 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -12.015 -7.615 -7.834 1.00 0.00 C ATOM 0 H LEU A 100 -13.509 -5.221 -7.501 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.770 -4.978 -6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.463 -5.375 -9.331 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.790 -4.911 -9.572 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.065 -7.326 -9.721 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.343 -8.003 -8.096 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.944 -6.453 -8.874 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.582 -6.476 -7.213 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.696 -8.653 -7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.029 -7.152 -6.847 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.015 -7.579 -8.266 1.00 0.00 H new ATOM 1519 N SER A 101 -11.916 -2.525 -8.800 1.00 0.00 N ATOM 1520 CA SER A 101 -11.691 -1.134 -9.175 1.00 0.00 C ATOM 1521 C SER A 101 -11.324 -0.295 -7.955 1.00 0.00 C ATOM 1522 O SER A 101 -10.476 0.594 -8.032 1.00 0.00 O ATOM 1523 CB SER A 101 -12.938 -0.557 -9.848 1.00 0.00 C ATOM 1524 OG SER A 101 -12.957 -0.858 -11.232 1.00 0.00 O ATOM 0 H SER A 101 -12.681 -2.978 -9.300 1.00 0.00 H new ATOM 0 HA SER A 101 -10.859 -1.103 -9.879 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.832 -0.962 -9.373 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.964 0.524 -9.707 1.00 0.00 H new ATOM 0 HG SER A 101 -13.765 -0.480 -11.638 1.00 0.00 H new ATOM 1530 N MET A 102 -11.969 -0.584 -6.830 1.00 0.00 N ATOM 1531 CA MET A 102 -11.709 0.142 -5.592 1.00 0.00 C ATOM 1532 C MET A 102 -10.355 -0.246 -5.007 1.00 0.00 C ATOM 1533 O MET A 102 -9.575 0.614 -4.599 1.00 0.00 O ATOM 1534 CB MET A 102 -12.816 -0.133 -4.572 1.00 0.00 C ATOM 1535 CG MET A 102 -14.047 0.739 -4.761 1.00 0.00 C ATOM 1536 SD MET A 102 -13.955 2.281 -3.830 1.00 0.00 S ATOM 1537 CE MET A 102 -12.623 3.116 -4.688 1.00 0.00 C ATOM 0 H MET A 102 -12.675 -1.315 -6.750 1.00 0.00 H new ATOM 0 HA MET A 102 -11.693 1.207 -5.822 1.00 0.00 H new ATOM 0 HB2 MET A 102 -13.109 -1.181 -4.640 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.421 0.023 -3.568 1.00 0.00 H new ATOM 0 HG2 MET A 102 -14.168 0.965 -5.820 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.932 0.184 -4.450 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.630 4.175 -4.428 1.00 0.00 H new ATOM 0 HE2 MET A 102 -11.669 2.677 -4.395 1.00 0.00 H new ATOM 0 HE3 MET A 102 -12.758 3.005 -5.764 1.00 0.00 H new ATOM 1547 N VAL A 103 -10.082 -1.546 -4.970 1.00 0.00 N ATOM 1548 CA VAL A 103 -8.822 -2.048 -4.436 1.00 0.00 C ATOM 1549 C VAL A 103 -7.640 -1.557 -5.264 1.00 0.00 C ATOM 1550 O VAL A 103 -6.713 -0.942 -4.737 1.00 0.00 O ATOM 1551 CB VAL A 103 -8.803 -3.588 -4.396 1.00 0.00 C ATOM 1552 CG1 VAL A 103 -7.459 -4.092 -3.893 1.00 0.00 C ATOM 1553 CG2 VAL A 103 -9.937 -4.113 -3.529 1.00 0.00 C ATOM 0 H VAL A 103 -10.717 -2.271 -5.304 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.734 -1.665 -3.419 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.949 -3.962 -5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.464 -5.182 -3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.668 -3.746 -4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.280 -3.710 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.908 -5.202 -3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.826 -3.732 -2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.891 -3.782 -3.938 1.00 0.00 H new ATOM 1563 N MET A 104 -7.679 -1.833 -6.563 1.00 0.00 N ATOM 1564 CA MET A 104 -6.611 -1.417 -7.465 1.00 0.00 C ATOM 1565 C MET A 104 -6.243 0.045 -7.234 1.00 0.00 C ATOM 1566 O MET A 104 -5.076 0.424 -7.333 1.00 0.00 O ATOM 1567 CB MET A 104 -7.034 -1.625 -8.920 1.00 0.00 C ATOM 1568 CG MET A 104 -8.313 -0.893 -9.292 1.00 0.00 C ATOM 1569 SD MET A 104 -8.566 -0.799 -11.075 1.00 0.00 S ATOM 1570 CE MET A 104 -7.422 0.509 -11.510 1.00 0.00 C ATOM 0 H MET A 104 -8.438 -2.343 -7.015 1.00 0.00 H new ATOM 0 HA MET A 104 -5.734 -2.031 -7.258 1.00 0.00 H new ATOM 0 HB2 MET A 104 -6.230 -1.290 -9.575 1.00 0.00 H new ATOM 0 HB3 MET A 104 -7.169 -2.691 -9.101 1.00 0.00 H new ATOM 0 HG2 MET A 104 -9.163 -1.399 -8.835 1.00 0.00 H new ATOM 0 HG3 MET A 104 -8.283 0.115 -8.880 1.00 0.00 H new ATOM 0 HE1 MET A 104 -7.814 1.068 -12.360 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.297 1.181 -10.661 1.00 0.00 H new ATOM 0 HE3 MET A 104 -6.458 0.076 -11.775 1.00 0.00 H new ATOM 1580 N TYR A 105 -7.245 0.861 -6.927 1.00 0.00 N ATOM 1581 CA TYR A 105 -7.027 2.282 -6.685 1.00 0.00 C ATOM 1582 C TYR A 105 -6.437 2.514 -5.297 1.00 0.00 C ATOM 1583 O TYR A 105 -5.354 3.084 -5.157 1.00 0.00 O ATOM 1584 CB TYR A 105 -8.340 3.053 -6.828 1.00 0.00 C ATOM 1585 CG TYR A 105 -8.154 4.548 -6.954 1.00 0.00 C ATOM 1586 CD1 TYR A 105 -7.696 5.114 -8.138 1.00 0.00 C ATOM 1587 CD2 TYR A 105 -8.433 5.395 -5.889 1.00 0.00 C ATOM 1588 CE1 TYR A 105 -7.524 6.479 -8.257 1.00 0.00 C ATOM 1589 CE2 TYR A 105 -8.265 6.762 -6.000 1.00 0.00 C ATOM 1590 CZ TYR A 105 -7.810 7.299 -7.186 1.00 0.00 C ATOM 1591 OH TYR A 105 -7.640 8.660 -7.300 1.00 0.00 O ATOM 0 H TYR A 105 -8.216 0.563 -6.840 1.00 0.00 H new ATOM 0 HA TYR A 105 -6.317 2.646 -7.428 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -8.873 2.687 -7.705 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -8.970 2.845 -5.963 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -7.471 4.475 -8.979 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.787 4.978 -4.958 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.167 6.902 -9.184 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -8.489 7.406 -5.163 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.887 9.092 -6.456 1.00 0.00 H new ATOM 1601 N LEU A 106 -7.156 2.067 -4.274 1.00 0.00 N ATOM 1602 CA LEU A 106 -6.705 2.225 -2.895 1.00 0.00 C ATOM 1603 C LEU A 106 -5.243 1.814 -2.750 1.00 0.00 C ATOM 1604 O LEU A 106 -4.448 2.520 -2.130 1.00 0.00 O ATOM 1605 CB LEU A 106 -7.577 1.391 -1.954 1.00 0.00 C ATOM 1606 CG LEU A 106 -9.047 1.802 -1.861 1.00 0.00 C ATOM 1607 CD1 LEU A 106 -9.874 0.687 -1.239 1.00 0.00 C ATOM 1608 CD2 LEU A 106 -9.191 3.086 -1.058 1.00 0.00 C ATOM 0 H LEU A 106 -8.053 1.592 -4.372 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.796 3.278 -2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.531 0.350 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.144 1.436 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.419 1.984 -2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.917 0.997 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.796 -0.210 -1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.502 0.474 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.243 3.364 -1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.802 2.931 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.630 3.884 -1.545 1.00 0.00 H new ATOM 1620 N SER A 107 -4.896 0.668 -3.328 1.00 0.00 N ATOM 1621 CA SER A 107 -3.530 0.162 -3.262 1.00 0.00 C ATOM 1622 C SER A 107 -2.523 1.283 -3.505 1.00 0.00 C ATOM 1623 O SER A 107 -1.562 1.444 -2.752 1.00 0.00 O ATOM 1624 CB SER A 107 -3.326 -0.953 -4.289 1.00 0.00 C ATOM 1625 OG SER A 107 -3.682 -2.215 -3.749 1.00 0.00 O ATOM 0 H SER A 107 -5.542 0.073 -3.847 1.00 0.00 H new ATOM 0 HA SER A 107 -3.366 -0.240 -2.262 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.928 -0.750 -5.175 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.284 -0.971 -4.608 1.00 0.00 H new ATOM 0 HG SER A 107 -3.544 -2.911 -4.425 1.00 0.00 H new ATOM 1631 N LYS A 108 -2.751 2.055 -4.562 1.00 0.00 N ATOM 1632 CA LYS A 108 -1.866 3.161 -4.906 1.00 0.00 C ATOM 1633 C LYS A 108 -1.478 3.954 -3.662 1.00 0.00 C ATOM 1634 O LYS A 108 -0.296 4.185 -3.405 1.00 0.00 O ATOM 1635 CB LYS A 108 -2.543 4.085 -5.922 1.00 0.00 C ATOM 1636 CG LYS A 108 -2.882 3.400 -7.234 1.00 0.00 C ATOM 1637 CD LYS A 108 -3.447 4.383 -8.246 1.00 0.00 C ATOM 1638 CE LYS A 108 -4.335 3.686 -9.265 1.00 0.00 C ATOM 1639 NZ LYS A 108 -4.362 4.411 -10.566 1.00 0.00 N ATOM 0 H LYS A 108 -3.541 1.935 -5.195 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.960 2.746 -5.348 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.457 4.485 -5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.888 4.933 -6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.987 2.930 -7.642 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.606 2.605 -7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.020 5.151 -7.727 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.629 4.888 -8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.977 2.669 -9.424 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -5.348 3.609 -8.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -4.978 3.904 -11.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -4.728 5.373 -10.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.399 4.462 -10.955 1.00 0.00 H new ATOM 1653 N PHE A 109 -2.479 4.368 -2.893 1.00 0.00 N ATOM 1654 CA PHE A 109 -2.242 5.134 -1.675 1.00 0.00 C ATOM 1655 C PHE A 109 -1.469 4.306 -0.653 1.00 0.00 C ATOM 1656 O PHE A 109 -0.484 4.770 -0.079 1.00 0.00 O ATOM 1657 CB PHE A 109 -3.569 5.600 -1.073 1.00 0.00 C ATOM 1658 CG PHE A 109 -4.304 6.588 -1.933 1.00 0.00 C ATOM 1659 CD1 PHE A 109 -3.819 7.875 -2.102 1.00 0.00 C ATOM 1660 CD2 PHE A 109 -5.480 6.230 -2.573 1.00 0.00 C ATOM 1661 CE1 PHE A 109 -4.492 8.786 -2.893 1.00 0.00 C ATOM 1662 CE2 PHE A 109 -6.157 7.137 -3.365 1.00 0.00 C ATOM 1663 CZ PHE A 109 -5.663 8.417 -3.525 1.00 0.00 C ATOM 0 H PHE A 109 -3.463 4.186 -3.092 1.00 0.00 H new ATOM 0 HA PHE A 109 -1.644 6.007 -1.936 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -4.207 4.732 -0.904 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -3.379 6.050 -0.099 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -2.904 8.169 -1.610 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -5.871 5.231 -2.451 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -4.103 9.786 -3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -7.072 6.845 -3.859 1.00 0.00 H new ATOM 0 HZ PHE A 109 -6.191 9.128 -4.143 1.00 0.00 H new ATOM 1673 N TYR A 110 -1.924 3.078 -0.430 1.00 0.00 N ATOM 1674 CA TYR A 110 -1.279 2.185 0.524 1.00 0.00 C ATOM 1675 C TYR A 110 0.239 2.249 0.390 1.00 0.00 C ATOM 1676 O TYR A 110 0.940 2.636 1.325 1.00 0.00 O ATOM 1677 CB TYR A 110 -1.760 0.748 0.317 1.00 0.00 C ATOM 1678 CG TYR A 110 -1.041 -0.263 1.181 1.00 0.00 C ATOM 1679 CD1 TYR A 110 0.251 -0.673 0.876 1.00 0.00 C ATOM 1680 CD2 TYR A 110 -1.653 -0.806 2.304 1.00 0.00 C ATOM 1681 CE1 TYR A 110 0.912 -1.597 1.663 1.00 0.00 C ATOM 1682 CE2 TYR A 110 -0.999 -1.729 3.097 1.00 0.00 C ATOM 1683 CZ TYR A 110 0.282 -2.122 2.772 1.00 0.00 C ATOM 1684 OH TYR A 110 0.938 -3.041 3.559 1.00 0.00 O ATOM 0 H TYR A 110 -2.738 2.678 -0.898 1.00 0.00 H new ATOM 0 HA TYR A 110 -1.551 2.511 1.528 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -2.828 0.698 0.527 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -1.628 0.477 -0.731 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.747 -0.263 0.009 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -2.657 -0.501 2.561 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.916 -1.906 1.411 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -1.489 -2.141 3.967 1.00 0.00 H new ATOM 0 HH TYR A 110 0.357 -3.311 4.300 1.00 0.00 H new ATOM 1694 N GLU A 111 0.740 1.868 -0.781 1.00 0.00 N ATOM 1695 CA GLU A 111 2.175 1.882 -1.038 1.00 0.00 C ATOM 1696 C GLU A 111 2.740 3.292 -0.893 1.00 0.00 C ATOM 1697 O GLU A 111 3.684 3.520 -0.135 1.00 0.00 O ATOM 1698 CB GLU A 111 2.470 1.344 -2.440 1.00 0.00 C ATOM 1699 CG GLU A 111 2.208 -0.145 -2.588 1.00 0.00 C ATOM 1700 CD GLU A 111 2.644 -0.683 -3.937 1.00 0.00 C ATOM 1701 OE1 GLU A 111 2.275 -0.076 -4.964 1.00 0.00 O ATOM 1702 OE2 GLU A 111 3.354 -1.710 -3.966 1.00 0.00 O ATOM 0 H GLU A 111 0.174 1.546 -1.566 1.00 0.00 H new ATOM 0 HA GLU A 111 2.656 1.239 -0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.860 1.885 -3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.512 1.547 -2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.734 -0.683 -1.799 1.00 0.00 H new ATOM 0 HG3 GLU A 111 1.144 -0.338 -2.451 1.00 0.00 H new ATOM 1709 N LEU A 112 2.157 4.234 -1.625 1.00 0.00 N ATOM 1710 CA LEU A 112 2.602 5.623 -1.580 1.00 0.00 C ATOM 1711 C LEU A 112 2.858 6.066 -0.143 1.00 0.00 C ATOM 1712 O LEU A 112 3.988 6.382 0.229 1.00 0.00 O ATOM 1713 CB LEU A 112 1.559 6.535 -2.229 1.00 0.00 C ATOM 1714 CG LEU A 112 1.744 8.035 -1.999 1.00 0.00 C ATOM 1715 CD1 LEU A 112 3.036 8.518 -2.639 1.00 0.00 C ATOM 1716 CD2 LEU A 112 0.553 8.809 -2.548 1.00 0.00 C ATOM 0 H LEU A 112 1.375 4.062 -2.257 1.00 0.00 H new ATOM 0 HA LEU A 112 3.537 5.698 -2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.561 6.349 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.575 6.249 -1.858 1.00 0.00 H new ATOM 0 HG LEU A 112 1.806 8.214 -0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.151 9.588 -2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.880 7.986 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.005 8.326 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.701 9.875 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.461 8.624 -3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.357 8.483 -2.044 1.00 0.00 H new ATOM 1728 N PHE A 113 1.800 6.085 0.662 1.00 0.00 N ATOM 1729 CA PHE A 113 1.910 6.487 2.060 1.00 0.00 C ATOM 1730 C PHE A 113 2.882 5.583 2.812 1.00 0.00 C ATOM 1731 O PHE A 113 3.802 6.059 3.477 1.00 0.00 O ATOM 1732 CB PHE A 113 0.537 6.451 2.733 1.00 0.00 C ATOM 1733 CG PHE A 113 -0.283 7.685 2.489 1.00 0.00 C ATOM 1734 CD1 PHE A 113 -0.082 8.827 3.248 1.00 0.00 C ATOM 1735 CD2 PHE A 113 -1.255 7.704 1.502 1.00 0.00 C ATOM 1736 CE1 PHE A 113 -0.835 9.964 3.027 1.00 0.00 C ATOM 1737 CE2 PHE A 113 -2.012 8.839 1.276 1.00 0.00 C ATOM 1738 CZ PHE A 113 -1.801 9.970 2.039 1.00 0.00 C ATOM 0 H PHE A 113 0.857 5.827 0.370 1.00 0.00 H new ATOM 0 HA PHE A 113 2.294 7.507 2.089 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -0.013 5.582 2.372 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.671 6.320 3.807 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.672 8.828 4.021 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.424 6.822 0.902 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -0.669 10.847 3.626 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -2.767 8.841 0.504 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.390 10.858 1.864 1.00 0.00 H new ATOM 1748 N ARG A 114 2.670 4.275 2.701 1.00 0.00 N ATOM 1749 CA ARG A 114 3.525 3.303 3.372 1.00 0.00 C ATOM 1750 C ARG A 114 4.957 3.389 2.851 1.00 0.00 C ATOM 1751 O ARG A 114 5.282 2.832 1.803 1.00 0.00 O ATOM 1752 CB ARG A 114 2.981 1.888 3.169 1.00 0.00 C ATOM 1753 CG ARG A 114 3.482 0.890 4.200 1.00 0.00 C ATOM 1754 CD ARG A 114 2.461 -0.209 4.453 1.00 0.00 C ATOM 1755 NE ARG A 114 2.844 -1.064 5.573 1.00 0.00 N ATOM 1756 CZ ARG A 114 3.719 -2.059 5.473 1.00 0.00 C ATOM 1757 NH1 ARG A 114 4.299 -2.321 4.310 1.00 0.00 N ATOM 1758 NH2 ARG A 114 4.015 -2.793 6.538 1.00 0.00 N ATOM 0 H ARG A 114 1.914 3.865 2.153 1.00 0.00 H new ATOM 0 HA ARG A 114 3.529 3.534 4.437 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.892 1.918 3.204 1.00 0.00 H new ATOM 0 HB3 ARG A 114 3.259 1.540 2.174 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.417 0.448 3.856 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.700 1.408 5.134 1.00 0.00 H new ATOM 0 HD2 ARG A 114 1.488 0.239 4.655 1.00 0.00 H new ATOM 0 HD3 ARG A 114 2.352 -0.816 3.554 1.00 0.00 H new ATOM 0 HE ARG A 114 2.416 -0.888 6.482 1.00 0.00 H new ATOM 0 HH11 ARG A 114 4.074 -1.758 3.490 1.00 0.00 H new ATOM 0 HH12 ARG A 114 4.970 -3.085 4.236 1.00 0.00 H new ATOM 0 HH21 ARG A 114 3.571 -2.594 7.434 1.00 0.00 H new ATOM 0 HH22 ARG A 114 4.687 -3.557 6.460 1.00 0.00 H new