USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=22 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 56 ASN : amide:sc= 0.616 X(o=1.6,f=2) USER MOD Set 1.2: A 59 SER OG : rot -170:sc= 0.966 USER MOD Set 2.1: A 25 TYR OH : rot -160:sc= 1.09 USER MOD Set 2.2: A 48 HIS : no HD1:sc= -1.79 K(o=-0.7,f=-6!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -137:sc= -0.0282 USER MOD Single : A 19 GLN : amide:sc= -0.399 K(o=-0.4,f=-1.1) USER MOD Single : A 20 GLN : amide:sc= -0.0378 K(o=-0.038,f=-1.5!) USER MOD Single : A 21 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.33) USER MOD Single : A 22 THR OG1 : rot -78:sc= 0.587 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.374 X(o=-0.37,f=-0.034) USER MOD Single : A 29 ASN : amide:sc= -0.0665 X(o=-0.066,f=-0.1) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0342 USER MOD Single : A 35 THR OG1 : rot -5:sc= 0.237 USER MOD Single : A 36 SER OG : rot -18:sc= -1.64! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 150:sc= -0.388 USER MOD Single : A 61 ASN : amide:sc= -5.55 K(o=-5.6,f=-16!) USER MOD Single : A 68 ASN : amide:sc= -2.45! C(o=-2.5!,f=-8!) USER MOD Single : A 69 ASN : amide:sc= 0.0251 K(o=0.025,f=-0.75) USER MOD Single : A 70 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.5) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0874 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 -153:sc= -3.11 (180deg=-4.3!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -2.21! C(o=-2.2!,f=-3!) 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 166:sc= -2.04! (180deg=-3.02!) USER MOD Single : A 104 MET CE :methyl -155:sc= -2.81! (180deg=-3.19!) 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 -7.561 -8.003 2.583 1.00 0.00 N ATOM 136 CA SER A 12 -7.792 -8.003 4.022 1.00 0.00 C ATOM 137 C SER A 12 -6.777 -7.114 4.735 1.00 0.00 C ATOM 138 O SER A 12 -7.138 -6.294 5.580 1.00 0.00 O ATOM 139 CB SER A 12 -7.714 -9.429 4.573 1.00 0.00 C ATOM 140 OG SER A 12 -8.903 -10.148 4.296 1.00 0.00 O ATOM 0 HA SER A 12 -8.790 -7.605 4.205 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.862 -9.946 4.133 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.547 -9.398 5.650 1.00 0.00 H new ATOM 0 HG SER A 12 -8.828 -11.056 4.656 1.00 0.00 H new ATOM 146 N LYS A 13 -5.506 -7.283 4.389 1.00 0.00 N ATOM 147 CA LYS A 13 -4.437 -6.497 4.993 1.00 0.00 C ATOM 148 C LYS A 13 -4.664 -5.006 4.767 1.00 0.00 C ATOM 149 O LYS A 13 -4.727 -4.226 5.718 1.00 0.00 O ATOM 150 CB LYS A 13 -3.082 -6.911 4.414 1.00 0.00 C ATOM 151 CG LYS A 13 -2.398 -8.018 5.198 1.00 0.00 C ATOM 152 CD LYS A 13 -1.878 -7.515 6.535 1.00 0.00 C ATOM 153 CE LYS A 13 -0.760 -8.399 7.066 1.00 0.00 C ATOM 154 NZ LYS A 13 0.008 -7.729 8.152 1.00 0.00 N ATOM 0 H LYS A 13 -5.191 -7.958 3.693 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.441 -6.689 6.066 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.222 -7.239 3.384 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.427 -6.040 4.385 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.100 -8.835 5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.571 -8.422 4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.514 -6.494 6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.694 -7.486 7.257 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.181 -9.332 7.441 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.085 -8.660 6.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.761 -8.364 8.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.431 -6.852 7.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.631 -7.503 8.941 1.00 0.00 H new ATOM 168 N LEU A 14 -4.787 -4.616 3.503 1.00 0.00 N ATOM 169 CA LEU A 14 -5.009 -3.217 3.152 1.00 0.00 C ATOM 170 C LEU A 14 -6.126 -2.614 3.998 1.00 0.00 C ATOM 171 O LEU A 14 -5.990 -1.512 4.531 1.00 0.00 O ATOM 172 CB LEU A 14 -5.354 -3.092 1.667 1.00 0.00 C ATOM 173 CG LEU A 14 -6.019 -1.783 1.241 1.00 0.00 C ATOM 174 CD1 LEU A 14 -5.010 -0.645 1.249 1.00 0.00 C ATOM 175 CD2 LEU A 14 -6.650 -1.929 -0.136 1.00 0.00 C ATOM 0 H LEU A 14 -4.737 -5.248 2.704 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.089 -2.667 3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.438 -3.215 1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.014 -3.916 1.397 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.807 -1.548 1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.501 0.279 0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.605 -0.525 2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.200 -0.872 0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.119 -0.988 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.880 -2.188 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.403 -2.716 -0.109 1.00 0.00 H new ATOM 187 N LEU A 15 -7.229 -3.344 4.119 1.00 0.00 N ATOM 188 CA LEU A 15 -8.370 -2.883 4.903 1.00 0.00 C ATOM 189 C LEU A 15 -7.926 -2.410 6.284 1.00 0.00 C ATOM 190 O LEU A 15 -8.342 -1.350 6.752 1.00 0.00 O ATOM 191 CB LEU A 15 -9.404 -4.001 5.042 1.00 0.00 C ATOM 192 CG LEU A 15 -10.596 -3.704 5.953 1.00 0.00 C ATOM 193 CD1 LEU A 15 -11.510 -2.669 5.315 1.00 0.00 C ATOM 194 CD2 LEU A 15 -11.365 -4.981 6.259 1.00 0.00 C ATOM 0 H LEU A 15 -7.358 -4.258 3.684 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.823 -2.041 4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.783 -4.244 4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.899 -4.891 5.417 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.219 -3.297 6.891 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.353 -2.470 5.977 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.954 -1.746 5.148 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.879 -3.048 4.362 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.210 -4.750 6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.731 -5.417 5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.706 -5.691 6.759 1.00 0.00 H new ATOM 206 N THR A 16 -7.078 -3.203 6.931 1.00 0.00 N ATOM 207 CA THR A 16 -6.577 -2.866 8.257 1.00 0.00 C ATOM 208 C THR A 16 -5.971 -1.467 8.277 1.00 0.00 C ATOM 209 O THR A 16 -6.366 -0.621 9.078 1.00 0.00 O ATOM 210 CB THR A 16 -5.518 -3.879 8.732 1.00 0.00 C ATOM 211 OG1 THR A 16 -6.021 -5.212 8.598 1.00 0.00 O ATOM 212 CG2 THR A 16 -5.132 -3.619 10.180 1.00 0.00 C ATOM 0 H THR A 16 -6.724 -4.084 6.558 1.00 0.00 H new ATOM 0 HA THR A 16 -7.430 -2.899 8.935 1.00 0.00 H new ATOM 0 HB THR A 16 -4.630 -3.763 8.110 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.341 -5.850 8.900 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.383 -4.347 10.493 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.722 -2.613 10.272 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.014 -3.711 10.814 1.00 0.00 H new ATOM 220 N TRP A 17 -5.011 -1.231 7.390 1.00 0.00 N ATOM 221 CA TRP A 17 -4.351 0.067 7.306 1.00 0.00 C ATOM 222 C TRP A 17 -5.374 1.195 7.242 1.00 0.00 C ATOM 223 O TRP A 17 -5.315 2.144 8.025 1.00 0.00 O ATOM 224 CB TRP A 17 -3.439 0.119 6.079 1.00 0.00 C ATOM 225 CG TRP A 17 -2.714 1.423 5.933 1.00 0.00 C ATOM 226 CD1 TRP A 17 -1.547 1.784 6.544 1.00 0.00 C ATOM 227 CD2 TRP A 17 -3.109 2.538 5.127 1.00 0.00 C ATOM 228 NE1 TRP A 17 -1.193 3.057 6.165 1.00 0.00 N ATOM 229 CE2 TRP A 17 -2.134 3.541 5.296 1.00 0.00 C ATOM 230 CE3 TRP A 17 -4.190 2.786 4.277 1.00 0.00 C ATOM 231 CZ2 TRP A 17 -2.211 4.770 4.647 1.00 0.00 C ATOM 232 CZ3 TRP A 17 -4.265 4.007 3.634 1.00 0.00 C ATOM 233 CH2 TRP A 17 -3.281 4.986 3.821 1.00 0.00 C ATOM 0 H TRP A 17 -4.672 -1.921 6.719 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.748 0.199 8.205 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.710 -0.689 6.142 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.035 -0.059 5.184 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -0.985 1.161 7.224 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -0.363 3.560 6.480 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.953 2.037 4.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.453 5.526 4.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -5.097 4.210 2.976 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -3.368 5.930 3.303 1.00 0.00 H new ATOM 244 N CYS A 18 -6.312 1.085 6.307 1.00 0.00 N ATOM 245 CA CYS A 18 -7.349 2.098 6.142 1.00 0.00 C ATOM 246 C CYS A 18 -8.151 2.269 7.428 1.00 0.00 C ATOM 247 O CYS A 18 -8.345 3.387 7.905 1.00 0.00 O ATOM 248 CB CYS A 18 -8.282 1.719 4.991 1.00 0.00 C ATOM 249 SG CYS A 18 -7.446 1.511 3.401 1.00 0.00 S ATOM 0 H CYS A 18 -6.376 0.305 5.652 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.864 3.046 5.909 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.795 0.791 5.244 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -9.047 2.489 4.889 1.00 0.00 H new ATOM 0 HG CYS A 18 -8.147 2.079 2.465 1.00 0.00 H new ATOM 255 N GLN A 19 -8.616 1.154 7.982 1.00 0.00 N ATOM 256 CA GLN A 19 -9.400 1.182 9.211 1.00 0.00 C ATOM 257 C GLN A 19 -8.627 1.867 10.334 1.00 0.00 C ATOM 258 O GLN A 19 -9.213 2.537 11.184 1.00 0.00 O ATOM 259 CB GLN A 19 -9.780 -0.239 9.631 1.00 0.00 C ATOM 260 CG GLN A 19 -11.074 -0.732 9.004 1.00 0.00 C ATOM 261 CD GLN A 19 -11.471 -2.111 9.493 1.00 0.00 C ATOM 262 OE1 GLN A 19 -10.957 -2.597 10.501 1.00 0.00 O ATOM 263 NE2 GLN A 19 -12.391 -2.750 8.779 1.00 0.00 N ATOM 0 H GLN A 19 -8.464 0.221 7.600 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.309 1.752 9.019 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.972 -0.918 9.359 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.875 -0.275 10.716 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.874 -0.027 9.229 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.963 -0.753 7.920 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.790 -2.309 7.950 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.698 -3.681 9.059 1.00 0.00 H new ATOM 272 N GLN A 20 -7.310 1.692 10.331 1.00 0.00 N ATOM 273 CA GLN A 20 -6.457 2.292 11.351 1.00 0.00 C ATOM 274 C GLN A 20 -6.440 3.812 11.220 1.00 0.00 C ATOM 275 O GLN A 20 -6.671 4.530 12.192 1.00 0.00 O ATOM 276 CB GLN A 20 -5.034 1.743 11.244 1.00 0.00 C ATOM 277 CG GLN A 20 -4.920 0.273 11.612 1.00 0.00 C ATOM 278 CD GLN A 20 -4.961 0.041 13.109 1.00 0.00 C ATOM 279 OE1 GLN A 20 -4.719 0.955 13.898 1.00 0.00 O ATOM 280 NE2 GLN A 20 -5.270 -1.187 13.510 1.00 0.00 N ATOM 0 H GLN A 20 -6.810 1.140 9.634 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.865 2.034 12.328 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.675 1.883 10.224 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.380 2.324 11.894 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.732 -0.280 11.140 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.988 -0.127 11.212 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.463 -1.915 12.822 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.314 -1.402 14.506 1.00 0.00 H new ATOM 289 N GLN A 21 -6.165 4.294 10.012 1.00 0.00 N ATOM 290 CA GLN A 21 -6.116 5.728 9.755 1.00 0.00 C ATOM 291 C GLN A 21 -7.439 6.392 10.124 1.00 0.00 C ATOM 292 O GLN A 21 -7.467 7.383 10.855 1.00 0.00 O ATOM 293 CB GLN A 21 -5.791 5.994 8.284 1.00 0.00 C ATOM 294 CG GLN A 21 -4.462 5.406 7.839 1.00 0.00 C ATOM 295 CD GLN A 21 -3.305 5.855 8.709 1.00 0.00 C ATOM 296 OE1 GLN A 21 -3.229 7.016 9.112 1.00 0.00 O ATOM 297 NE2 GLN A 21 -2.394 4.934 9.005 1.00 0.00 N ATOM 0 H GLN A 21 -5.973 3.712 9.196 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.329 6.156 10.376 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.587 5.581 7.664 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.778 7.070 8.112 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.526 4.318 7.859 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.269 5.695 6.806 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.496 3.983 8.650 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.593 5.178 9.587 1.00 0.00 H new ATOM 306 N THR A 22 -8.535 5.840 9.613 1.00 0.00 N ATOM 307 CA THR A 22 -9.861 6.380 9.887 1.00 0.00 C ATOM 308 C THR A 22 -10.214 6.247 11.364 1.00 0.00 C ATOM 309 O THR A 22 -10.877 7.114 11.933 1.00 0.00 O ATOM 310 CB THR A 22 -10.941 5.670 9.048 1.00 0.00 C ATOM 311 OG1 THR A 22 -10.825 4.251 9.199 1.00 0.00 O ATOM 312 CG2 THR A 22 -10.813 6.040 7.578 1.00 0.00 C ATOM 0 H THR A 22 -8.531 5.019 9.007 1.00 0.00 H new ATOM 0 HA THR A 22 -9.835 7.435 9.615 1.00 0.00 H new ATOM 0 HB THR A 22 -11.919 5.994 9.405 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.081 3.923 8.651 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.586 5.527 7.005 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.931 7.117 7.462 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.831 5.741 7.212 1.00 0.00 H new ATOM 320 N GLU A 23 -9.766 5.158 11.980 1.00 0.00 N ATOM 321 CA GLU A 23 -10.035 4.914 13.392 1.00 0.00 C ATOM 322 C GLU A 23 -9.959 6.211 14.193 1.00 0.00 C ATOM 323 O GLU A 23 -8.962 6.929 14.138 1.00 0.00 O ATOM 324 CB GLU A 23 -9.042 3.895 13.955 1.00 0.00 C ATOM 325 CG GLU A 23 -9.339 3.483 15.387 1.00 0.00 C ATOM 326 CD GLU A 23 -8.231 2.644 15.994 1.00 0.00 C ATOM 327 OE1 GLU A 23 -7.140 3.195 16.249 1.00 0.00 O ATOM 328 OE2 GLU A 23 -8.456 1.435 16.215 1.00 0.00 O ATOM 0 H GLU A 23 -9.215 4.431 11.524 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.045 4.513 13.479 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.047 3.008 13.322 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.037 4.315 13.908 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.488 4.376 15.994 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.272 2.920 15.413 1.00 0.00 H new ATOM 335 N GLY A 24 -11.022 6.504 14.936 1.00 0.00 N ATOM 336 CA GLY A 24 -11.056 7.714 15.736 1.00 0.00 C ATOM 337 C GLY A 24 -12.014 8.749 15.182 1.00 0.00 C ATOM 338 O GLY A 24 -12.715 9.425 15.936 1.00 0.00 O ATOM 0 H GLY A 24 -11.860 5.925 14.998 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.347 7.463 16.756 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.054 8.141 15.786 1.00 0.00 H new ATOM 342 N TYR A 25 -12.044 8.877 13.860 1.00 0.00 N ATOM 343 CA TYR A 25 -12.920 9.841 13.204 1.00 0.00 C ATOM 344 C TYR A 25 -14.367 9.653 13.650 1.00 0.00 C ATOM 345 O TYR A 25 -14.704 8.663 14.299 1.00 0.00 O ATOM 346 CB TYR A 25 -12.821 9.701 11.685 1.00 0.00 C ATOM 347 CG TYR A 25 -11.682 10.488 11.077 1.00 0.00 C ATOM 348 CD1 TYR A 25 -10.360 10.131 11.314 1.00 0.00 C ATOM 349 CD2 TYR A 25 -11.928 11.589 10.265 1.00 0.00 C ATOM 350 CE1 TYR A 25 -9.317 10.848 10.762 1.00 0.00 C ATOM 351 CE2 TYR A 25 -10.890 12.311 9.708 1.00 0.00 C ATOM 352 CZ TYR A 25 -9.587 11.937 9.959 1.00 0.00 C ATOM 353 OH TYR A 25 -8.550 12.653 9.406 1.00 0.00 O ATOM 0 H TYR A 25 -11.472 8.325 13.221 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.597 10.842 13.491 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -12.699 8.648 11.433 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -13.759 10.029 11.236 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.145 9.278 11.941 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -12.947 11.885 10.066 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.295 10.558 10.958 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.098 13.164 9.079 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.869 13.542 9.145 1.00 0.00 H new ATOM 363 N GLN A 26 -15.218 10.611 13.296 1.00 0.00 N ATOM 364 CA GLN A 26 -16.629 10.551 13.659 1.00 0.00 C ATOM 365 C GLN A 26 -17.478 10.107 12.473 1.00 0.00 C ATOM 366 O GLN A 26 -17.143 10.379 11.320 1.00 0.00 O ATOM 367 CB GLN A 26 -17.106 11.916 14.160 1.00 0.00 C ATOM 368 CG GLN A 26 -16.474 12.335 15.478 1.00 0.00 C ATOM 369 CD GLN A 26 -16.849 13.747 15.882 1.00 0.00 C ATOM 370 OE1 GLN A 26 -17.521 13.959 16.892 1.00 0.00 O ATOM 371 NE2 GLN A 26 -16.415 14.723 15.093 1.00 0.00 N ATOM 0 H GLN A 26 -14.955 11.437 12.759 1.00 0.00 H new ATOM 0 HA GLN A 26 -16.742 9.818 14.458 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.884 12.669 13.404 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -18.189 11.892 14.277 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -16.783 11.643 16.261 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.390 12.260 15.397 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -15.861 14.502 14.266 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -16.636 15.694 15.314 1.00 0.00 H new ATOM 380 N HIS A 27 -18.579 9.421 12.764 1.00 0.00 N ATOM 381 CA HIS A 27 -19.477 8.938 11.721 1.00 0.00 C ATOM 382 C HIS A 27 -18.691 8.298 10.581 1.00 0.00 C ATOM 383 O HIS A 27 -19.077 8.394 9.416 1.00 0.00 O ATOM 384 CB HIS A 27 -20.333 10.086 11.184 1.00 0.00 C ATOM 385 CG HIS A 27 -21.292 10.639 12.192 1.00 0.00 C ATOM 386 ND1 HIS A 27 -22.451 11.300 11.844 1.00 0.00 N ATOM 387 CD2 HIS A 27 -21.261 10.625 13.545 1.00 0.00 C ATOM 388 CE1 HIS A 27 -23.090 11.671 12.940 1.00 0.00 C ATOM 389 NE2 HIS A 27 -22.389 11.273 13.986 1.00 0.00 N ATOM 0 H HIS A 27 -18.871 9.187 13.713 1.00 0.00 H new ATOM 0 HA HIS A 27 -20.129 8.182 12.159 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -19.678 10.887 10.840 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -20.892 9.736 10.316 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -20.492 10.186 14.163 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -24.026 12.208 12.974 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -22.644 11.422 14.962 1.00 0.00 H new ATOM 398 N VAL A 28 -17.584 7.645 10.924 1.00 0.00 N ATOM 399 CA VAL A 28 -16.744 6.989 9.929 1.00 0.00 C ATOM 400 C VAL A 28 -16.521 5.523 10.280 1.00 0.00 C ATOM 401 O VAL A 28 -15.657 5.192 11.091 1.00 0.00 O ATOM 402 CB VAL A 28 -15.378 7.688 9.800 1.00 0.00 C ATOM 403 CG1 VAL A 28 -14.447 6.881 8.909 1.00 0.00 C ATOM 404 CG2 VAL A 28 -15.551 9.101 9.263 1.00 0.00 C ATOM 0 H VAL A 28 -17.249 7.557 11.883 1.00 0.00 H new ATOM 0 HA VAL A 28 -17.270 7.056 8.976 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.928 7.753 10.791 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.487 7.391 8.830 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -14.298 5.891 9.340 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -14.888 6.782 7.917 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -14.576 9.580 9.178 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -16.023 9.062 8.281 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.179 9.675 9.944 1.00 0.00 H new ATOM 414 N ASN A 29 -17.306 4.646 9.662 1.00 0.00 N ATOM 415 CA ASN A 29 -17.195 3.213 9.909 1.00 0.00 C ATOM 416 C ASN A 29 -16.769 2.475 8.644 1.00 0.00 C ATOM 417 O ASN A 29 -17.550 2.331 7.703 1.00 0.00 O ATOM 418 CB ASN A 29 -18.527 2.656 10.414 1.00 0.00 C ATOM 419 CG ASN A 29 -18.411 1.221 10.890 1.00 0.00 C ATOM 420 OD1 ASN A 29 -17.535 0.890 11.689 1.00 0.00 O ATOM 421 ND2 ASN A 29 -19.297 0.362 10.400 1.00 0.00 N ATOM 0 H ASN A 29 -18.026 4.903 8.987 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.432 3.059 10.673 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -18.891 3.279 11.231 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.267 2.712 9.616 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -19.269 -0.617 10.684 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -20.006 0.681 9.740 1.00 0.00 H new ATOM 428 N VAL A 30 -15.524 2.008 8.628 1.00 0.00 N ATOM 429 CA VAL A 30 -14.995 1.283 7.479 1.00 0.00 C ATOM 430 C VAL A 30 -15.050 -0.224 7.707 1.00 0.00 C ATOM 431 O VAL A 30 -14.324 -0.765 8.541 1.00 0.00 O ATOM 432 CB VAL A 30 -13.540 1.692 7.180 1.00 0.00 C ATOM 433 CG1 VAL A 30 -12.990 0.890 6.010 1.00 0.00 C ATOM 434 CG2 VAL A 30 -13.454 3.185 6.900 1.00 0.00 C ATOM 0 H VAL A 30 -14.864 2.119 9.397 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.621 1.542 6.625 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.931 1.474 8.058 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.961 1.192 5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -13.016 -0.172 6.253 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.598 1.075 5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.419 3.457 6.691 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.075 3.430 6.038 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.806 3.739 7.770 1.00 0.00 H new ATOM 444 N THR A 31 -15.918 -0.898 6.959 1.00 0.00 N ATOM 445 CA THR A 31 -16.070 -2.342 7.079 1.00 0.00 C ATOM 446 C THR A 31 -15.815 -3.035 5.745 1.00 0.00 C ATOM 447 O THR A 31 -15.229 -4.117 5.699 1.00 0.00 O ATOM 448 CB THR A 31 -17.477 -2.720 7.579 1.00 0.00 C ATOM 449 OG1 THR A 31 -18.470 -2.203 6.685 1.00 0.00 O ATOM 450 CG2 THR A 31 -17.717 -2.177 8.980 1.00 0.00 C ATOM 0 H THR A 31 -16.526 -0.466 6.263 1.00 0.00 H new ATOM 0 HA THR A 31 -15.331 -2.677 7.807 1.00 0.00 H new ATOM 0 HB THR A 31 -17.548 -3.807 7.610 1.00 0.00 H new ATOM 0 HG1 THR A 31 -19.362 -2.449 7.009 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.717 -2.456 9.312 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.978 -2.594 9.664 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.629 -1.091 8.969 1.00 0.00 H new ATOM 458 N ASP A 32 -16.256 -2.405 4.663 1.00 0.00 N ATOM 459 CA ASP A 32 -16.074 -2.960 3.327 1.00 0.00 C ATOM 460 C ASP A 32 -15.418 -1.941 2.400 1.00 0.00 C ATOM 461 O ASP A 32 -15.733 -0.751 2.446 1.00 0.00 O ATOM 462 CB ASP A 32 -17.418 -3.405 2.748 1.00 0.00 C ATOM 463 CG ASP A 32 -18.562 -2.516 3.194 1.00 0.00 C ATOM 464 OD1 ASP A 32 -18.308 -1.336 3.511 1.00 0.00 O ATOM 465 OD2 ASP A 32 -19.713 -3.002 3.226 1.00 0.00 O ATOM 0 H ASP A 32 -16.743 -1.509 4.684 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.418 -3.827 3.407 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -17.361 -3.400 1.660 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -17.620 -4.432 3.052 1.00 0.00 H new ATOM 470 N LEU A 33 -14.506 -2.415 1.559 1.00 0.00 N ATOM 471 CA LEU A 33 -13.805 -1.545 0.621 1.00 0.00 C ATOM 472 C LEU A 33 -14.632 -1.327 -0.642 1.00 0.00 C ATOM 473 O LEU A 33 -14.093 -1.265 -1.748 1.00 0.00 O ATOM 474 CB LEU A 33 -12.446 -2.145 0.256 1.00 0.00 C ATOM 475 CG LEU A 33 -11.554 -2.550 1.431 1.00 0.00 C ATOM 476 CD1 LEU A 33 -10.572 -3.632 1.008 1.00 0.00 C ATOM 477 CD2 LEU A 33 -10.813 -1.340 1.980 1.00 0.00 C ATOM 0 H LEU A 33 -14.234 -3.397 1.507 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.652 -0.580 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.615 -3.024 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.904 -1.422 -0.354 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.188 -2.952 2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.946 -3.907 1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.122 -4.508 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.944 -3.257 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.183 -1.647 2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.191 -0.908 1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.533 -0.597 2.323 1.00 0.00 H new ATOM 489 N THR A 34 -15.945 -1.209 -0.470 1.00 0.00 N ATOM 490 CA THR A 34 -16.847 -0.996 -1.595 1.00 0.00 C ATOM 491 C THR A 34 -17.864 0.096 -1.285 1.00 0.00 C ATOM 492 O THR A 34 -18.095 0.993 -2.097 1.00 0.00 O ATOM 493 CB THR A 34 -17.596 -2.290 -1.967 1.00 0.00 C ATOM 494 OG1 THR A 34 -18.316 -2.782 -0.831 1.00 0.00 O ATOM 495 CG2 THR A 34 -16.628 -3.354 -2.460 1.00 0.00 C ATOM 0 H THR A 34 -16.407 -1.257 0.438 1.00 0.00 H new ATOM 0 HA THR A 34 -16.232 -0.686 -2.440 1.00 0.00 H new ATOM 0 HB THR A 34 -18.297 -2.060 -2.770 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.791 -3.604 -1.075 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.181 -4.258 -2.716 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.103 -2.987 -3.342 1.00 0.00 H new ATOM 0 HG23 THR A 34 -15.906 -3.580 -1.676 1.00 0.00 H new ATOM 503 N THR A 35 -18.470 0.016 -0.105 1.00 0.00 N ATOM 504 CA THR A 35 -19.464 0.998 0.312 1.00 0.00 C ATOM 505 C THR A 35 -18.865 2.005 1.287 1.00 0.00 C ATOM 506 O THR A 35 -19.382 3.111 1.447 1.00 0.00 O ATOM 507 CB THR A 35 -20.679 0.321 0.972 1.00 0.00 C ATOM 508 OG1 THR A 35 -20.272 -0.365 2.162 1.00 0.00 O ATOM 509 CG2 THR A 35 -21.338 -0.660 0.015 1.00 0.00 C ATOM 0 H THR A 35 -18.290 -0.719 0.579 1.00 0.00 H new ATOM 0 HA THR A 35 -19.792 1.518 -0.588 1.00 0.00 H new ATOM 0 HB THR A 35 -21.403 1.095 1.229 1.00 0.00 H new ATOM 0 HG1 THR A 35 -19.297 -0.319 2.249 1.00 0.00 H new ATOM 0 HG21 THR A 35 -22.194 -1.126 0.504 1.00 0.00 H new ATOM 0 HG22 THR A 35 -21.673 -0.129 -0.876 1.00 0.00 H new ATOM 0 HG23 THR A 35 -20.620 -1.429 -0.269 1.00 0.00 H new ATOM 517 N SER A 36 -17.773 1.616 1.937 1.00 0.00 N ATOM 518 CA SER A 36 -17.106 2.485 2.900 1.00 0.00 C ATOM 519 C SER A 36 -16.482 3.690 2.202 1.00 0.00 C ATOM 520 O SER A 36 -16.113 4.672 2.847 1.00 0.00 O ATOM 521 CB SER A 36 -16.030 1.708 3.660 1.00 0.00 C ATOM 522 OG SER A 36 -14.865 1.545 2.870 1.00 0.00 O ATOM 0 H SER A 36 -17.331 0.705 1.814 1.00 0.00 H new ATOM 0 HA SER A 36 -17.853 2.843 3.608 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.778 2.235 4.580 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.418 0.731 3.948 1.00 0.00 H new ATOM 0 HG SER A 36 -15.085 1.697 1.927 1.00 0.00 H new ATOM 528 N TRP A 37 -16.367 3.607 0.882 1.00 0.00 N ATOM 529 CA TRP A 37 -15.788 4.690 0.096 1.00 0.00 C ATOM 530 C TRP A 37 -16.825 5.298 -0.842 1.00 0.00 C ATOM 531 O TRP A 37 -16.505 6.157 -1.664 1.00 0.00 O ATOM 532 CB TRP A 37 -14.591 4.180 -0.709 1.00 0.00 C ATOM 533 CG TRP A 37 -13.621 3.382 0.109 1.00 0.00 C ATOM 534 CD1 TRP A 37 -13.794 2.110 0.574 1.00 0.00 C ATOM 535 CD2 TRP A 37 -12.330 3.805 0.560 1.00 0.00 C ATOM 536 NE1 TRP A 37 -12.688 1.716 1.287 1.00 0.00 N ATOM 537 CE2 TRP A 37 -11.775 2.737 1.293 1.00 0.00 C ATOM 538 CE3 TRP A 37 -11.588 4.980 0.415 1.00 0.00 C ATOM 539 CZ2 TRP A 37 -10.514 2.813 1.878 1.00 0.00 C ATOM 540 CZ3 TRP A 37 -10.336 5.053 0.997 1.00 0.00 C ATOM 541 CH2 TRP A 37 -9.809 3.975 1.720 1.00 0.00 C ATOM 0 H TRP A 37 -16.667 2.801 0.333 1.00 0.00 H new ATOM 0 HA TRP A 37 -15.451 5.465 0.785 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -14.952 3.565 -1.533 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -14.070 5.030 -1.150 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -14.671 1.503 0.406 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -12.566 0.810 1.739 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -11.985 5.816 -0.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.106 1.984 2.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.754 5.957 0.892 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -8.827 4.063 2.161 1.00 0.00 H new ATOM 552 N ARG A 38 -18.069 4.847 -0.713 1.00 0.00 N ATOM 553 CA ARG A 38 -19.153 5.346 -1.551 1.00 0.00 C ATOM 554 C ARG A 38 -19.421 6.822 -1.270 1.00 0.00 C ATOM 555 O ARG A 38 -19.658 7.606 -2.189 1.00 0.00 O ATOM 556 CB ARG A 38 -20.426 4.531 -1.314 1.00 0.00 C ATOM 557 CG ARG A 38 -21.193 4.948 -0.070 1.00 0.00 C ATOM 558 CD ARG A 38 -22.396 4.049 0.170 1.00 0.00 C ATOM 559 NE ARG A 38 -22.981 4.259 1.491 1.00 0.00 N ATOM 560 CZ ARG A 38 -24.220 3.901 1.812 1.00 0.00 C ATOM 561 NH1 ARG A 38 -24.999 3.318 0.911 1.00 0.00 N ATOM 562 NH2 ARG A 38 -24.681 4.125 3.035 1.00 0.00 N ATOM 0 H ARG A 38 -18.351 4.137 -0.037 1.00 0.00 H new ATOM 0 HA ARG A 38 -18.852 5.241 -2.593 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -21.077 4.630 -2.182 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -20.162 3.477 -1.232 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -20.532 4.912 0.796 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -21.524 5.981 -0.175 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -23.149 4.240 -0.594 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -22.095 3.006 0.068 1.00 0.00 H new ATOM 0 HE ARG A 38 -22.407 4.705 2.207 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -24.648 3.143 -0.031 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -25.950 3.044 1.160 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -24.084 4.573 3.731 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -25.632 3.850 3.280 1.00 0.00 H new ATOM 576 N SER A 39 -19.383 7.193 0.006 1.00 0.00 N ATOM 577 CA SER A 39 -19.626 8.573 0.409 1.00 0.00 C ATOM 578 C SER A 39 -18.404 9.443 0.132 1.00 0.00 C ATOM 579 O SER A 39 -18.527 10.586 -0.305 1.00 0.00 O ATOM 580 CB SER A 39 -19.987 8.637 1.894 1.00 0.00 C ATOM 581 OG SER A 39 -20.220 9.973 2.305 1.00 0.00 O ATOM 0 H SER A 39 -19.186 6.557 0.779 1.00 0.00 H new ATOM 0 HA SER A 39 -20.462 8.955 -0.177 1.00 0.00 H new ATOM 0 HB2 SER A 39 -20.876 8.035 2.082 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.180 8.206 2.487 1.00 0.00 H new ATOM 0 HG SER A 39 -20.450 9.987 3.257 1.00 0.00 H new ATOM 587 N GLY A 40 -17.222 8.892 0.392 1.00 0.00 N ATOM 588 CA GLY A 40 -15.993 9.630 0.166 1.00 0.00 C ATOM 589 C GLY A 40 -15.253 9.932 1.454 1.00 0.00 C ATOM 590 O GLY A 40 -14.024 9.857 1.505 1.00 0.00 O ATOM 0 H GLY A 40 -17.094 7.948 0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.345 9.056 -0.496 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.223 10.565 -0.345 1.00 0.00 H new ATOM 594 N LEU A 41 -16.000 10.276 2.497 1.00 0.00 N ATOM 595 CA LEU A 41 -15.407 10.592 3.792 1.00 0.00 C ATOM 596 C LEU A 41 -14.234 9.665 4.095 1.00 0.00 C ATOM 597 O LEU A 41 -13.204 10.099 4.610 1.00 0.00 O ATOM 598 CB LEU A 41 -16.458 10.481 4.897 1.00 0.00 C ATOM 599 CG LEU A 41 -17.685 11.382 4.750 1.00 0.00 C ATOM 600 CD1 LEU A 41 -18.720 11.053 5.814 1.00 0.00 C ATOM 601 CD2 LEU A 41 -17.282 12.848 4.830 1.00 0.00 C ATOM 0 H LEU A 41 -17.017 10.343 2.472 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.036 11.616 3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.796 9.446 4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -15.979 10.706 5.850 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.130 11.201 3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -19.586 11.704 5.693 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.031 10.013 5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.287 11.205 6.803 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.167 13.475 4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.812 13.044 5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.578 13.076 4.030 1.00 0.00 H new ATOM 613 N ALA A 42 -14.398 8.387 3.769 1.00 0.00 N ATOM 614 CA ALA A 42 -13.351 7.399 4.002 1.00 0.00 C ATOM 615 C ALA A 42 -12.008 7.886 3.469 1.00 0.00 C ATOM 616 O ALA A 42 -11.051 8.054 4.226 1.00 0.00 O ATOM 617 CB ALA A 42 -13.726 6.072 3.360 1.00 0.00 C ATOM 0 H ALA A 42 -15.245 8.012 3.343 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.254 7.255 5.078 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.936 5.344 3.542 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.659 5.710 3.791 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.852 6.210 2.286 1.00 0.00 H new ATOM 623 N LEU A 43 -11.943 8.112 2.161 1.00 0.00 N ATOM 624 CA LEU A 43 -10.715 8.579 1.526 1.00 0.00 C ATOM 625 C LEU A 43 -10.314 9.950 2.060 1.00 0.00 C ATOM 626 O LEU A 43 -9.162 10.168 2.436 1.00 0.00 O ATOM 627 CB LEU A 43 -10.896 8.643 0.008 1.00 0.00 C ATOM 628 CG LEU A 43 -9.663 9.054 -0.798 1.00 0.00 C ATOM 629 CD1 LEU A 43 -8.480 8.160 -0.457 1.00 0.00 C ATOM 630 CD2 LEU A 43 -9.959 9.003 -2.289 1.00 0.00 C ATOM 0 H LEU A 43 -12.725 7.980 1.520 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.920 7.871 1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.223 7.663 -0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.700 9.345 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.406 10.080 -0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.612 8.467 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.253 8.247 0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.727 7.125 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.070 9.299 -2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.242 7.988 -2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.777 9.685 -2.521 1.00 0.00 H new ATOM 642 N CYS A 44 -11.272 10.870 2.092 1.00 0.00 N ATOM 643 CA CYS A 44 -11.019 12.221 2.582 1.00 0.00 C ATOM 644 C CYS A 44 -10.321 12.186 3.938 1.00 0.00 C ATOM 645 O CYS A 44 -9.413 12.973 4.200 1.00 0.00 O ATOM 646 CB CYS A 44 -12.330 13.001 2.689 1.00 0.00 C ATOM 647 SG CYS A 44 -13.268 13.084 1.146 1.00 0.00 S ATOM 0 H CYS A 44 -12.231 10.705 1.785 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.364 12.723 1.870 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.953 12.540 3.456 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.111 14.015 3.023 1.00 0.00 H new ATOM 0 HG CYS A 44 -14.538 13.158 1.414 1.00 0.00 H new ATOM 653 N ALA A 45 -10.754 11.268 4.796 1.00 0.00 N ATOM 654 CA ALA A 45 -10.171 11.130 6.125 1.00 0.00 C ATOM 655 C ALA A 45 -8.682 10.812 6.041 1.00 0.00 C ATOM 656 O ALA A 45 -7.867 11.423 6.733 1.00 0.00 O ATOM 657 CB ALA A 45 -10.899 10.050 6.911 1.00 0.00 C ATOM 0 H ALA A 45 -11.506 10.609 4.595 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.284 12.081 6.645 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.453 9.958 7.901 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.951 10.319 7.010 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.815 9.099 6.385 1.00 0.00 H new ATOM 663 N ILE A 46 -8.333 9.853 5.189 1.00 0.00 N ATOM 664 CA ILE A 46 -6.942 9.455 5.015 1.00 0.00 C ATOM 665 C ILE A 46 -6.090 10.628 4.543 1.00 0.00 C ATOM 666 O ILE A 46 -5.020 10.893 5.094 1.00 0.00 O ATOM 667 CB ILE A 46 -6.809 8.300 4.006 1.00 0.00 C ATOM 668 CG1 ILE A 46 -7.578 7.072 4.498 1.00 0.00 C ATOM 669 CG2 ILE A 46 -5.343 7.958 3.782 1.00 0.00 C ATOM 670 CD1 ILE A 46 -7.738 5.997 3.446 1.00 0.00 C ATOM 0 H ILE A 46 -8.995 9.338 4.609 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.586 9.119 5.989 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.238 8.617 3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.061 6.651 5.360 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.565 7.384 4.840 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.266 7.140 3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.821 8.832 3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.891 7.657 4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.292 5.157 3.865 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.282 6.401 2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.755 5.657 3.121 1.00 0.00 H new ATOM 682 N ILE A 47 -6.571 11.329 3.522 1.00 0.00 N ATOM 683 CA ILE A 47 -5.855 12.476 2.979 1.00 0.00 C ATOM 684 C ILE A 47 -5.771 13.607 3.999 1.00 0.00 C ATOM 685 O ILE A 47 -4.682 13.997 4.421 1.00 0.00 O ATOM 686 CB ILE A 47 -6.527 13.005 1.698 1.00 0.00 C ATOM 687 CG1 ILE A 47 -6.573 11.909 0.631 1.00 0.00 C ATOM 688 CG2 ILE A 47 -5.788 14.228 1.177 1.00 0.00 C ATOM 689 CD1 ILE A 47 -7.549 12.196 -0.489 1.00 0.00 C ATOM 0 H ILE A 47 -7.454 11.123 3.054 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.849 12.133 2.737 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.549 13.298 1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.576 11.782 0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.842 10.964 1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.276 14.589 0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.802 15.012 1.934 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.756 13.961 0.951 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.528 11.377 -1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.554 12.294 -0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.268 13.124 -0.987 1.00 0.00 H new ATOM 701 N HIS A 48 -6.929 14.127 4.393 1.00 0.00 N ATOM 702 CA HIS A 48 -6.988 15.212 5.367 1.00 0.00 C ATOM 703 C HIS A 48 -6.093 14.914 6.566 1.00 0.00 C ATOM 704 O HIS A 48 -5.358 15.782 7.035 1.00 0.00 O ATOM 705 CB HIS A 48 -8.428 15.431 5.831 1.00 0.00 C ATOM 706 CG HIS A 48 -8.530 16.062 7.186 1.00 0.00 C ATOM 707 ND1 HIS A 48 -8.515 15.335 8.358 1.00 0.00 N ATOM 708 CD2 HIS A 48 -8.649 17.360 7.551 1.00 0.00 C ATOM 709 CE1 HIS A 48 -8.621 16.159 9.385 1.00 0.00 C ATOM 710 NE2 HIS A 48 -8.704 17.394 8.923 1.00 0.00 N ATOM 0 H HIS A 48 -7.839 13.815 4.053 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.628 16.121 4.885 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -8.943 16.061 5.106 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -8.946 14.472 5.845 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.693 18.211 6.887 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.637 15.872 10.426 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -8.794 18.235 9.492 1.00 0.00 H new ATOM 719 N ARG A 49 -6.163 13.681 7.058 1.00 0.00 N ATOM 720 CA ARG A 49 -5.361 13.270 8.204 1.00 0.00 C ATOM 721 C ARG A 49 -3.945 13.832 8.108 1.00 0.00 C ATOM 722 O ARG A 49 -3.526 14.632 8.943 1.00 0.00 O ATOM 723 CB ARG A 49 -5.310 11.744 8.297 1.00 0.00 C ATOM 724 CG ARG A 49 -4.513 11.232 9.485 1.00 0.00 C ATOM 725 CD ARG A 49 -5.324 11.298 10.770 1.00 0.00 C ATOM 726 NE ARG A 49 -5.327 12.639 11.347 1.00 0.00 N ATOM 727 CZ ARG A 49 -4.321 13.136 12.056 1.00 0.00 C ATOM 728 NH1 ARG A 49 -3.235 12.407 12.275 1.00 0.00 N ATOM 729 NH2 ARG A 49 -4.398 14.366 12.549 1.00 0.00 N ATOM 0 H ARG A 49 -6.766 12.950 6.681 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.830 13.667 9.104 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.328 11.358 8.360 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.874 11.347 7.380 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.204 10.203 9.301 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.604 11.823 9.596 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.349 10.988 10.568 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.915 10.593 11.494 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.147 13.226 11.197 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.171 11.461 11.898 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.464 12.792 12.820 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.231 14.931 12.383 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.624 14.746 13.094 1.00 0.00 H new ATOM 743 N PHE A 50 -3.214 13.406 7.083 1.00 0.00 N ATOM 744 CA PHE A 50 -1.846 13.866 6.877 1.00 0.00 C ATOM 745 C PHE A 50 -1.821 15.335 6.466 1.00 0.00 C ATOM 746 O PHE A 50 -1.034 16.124 6.989 1.00 0.00 O ATOM 747 CB PHE A 50 -1.154 13.014 5.810 1.00 0.00 C ATOM 748 CG PHE A 50 -0.852 11.615 6.263 1.00 0.00 C ATOM 749 CD1 PHE A 50 -1.829 10.634 6.226 1.00 0.00 C ATOM 750 CD2 PHE A 50 0.410 11.280 6.727 1.00 0.00 C ATOM 751 CE1 PHE A 50 -1.554 9.345 6.642 1.00 0.00 C ATOM 752 CE2 PHE A 50 0.692 9.993 7.144 1.00 0.00 C ATOM 753 CZ PHE A 50 -0.292 9.024 7.103 1.00 0.00 C ATOM 0 H PHE A 50 -3.546 12.743 6.382 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.309 13.762 7.820 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.787 12.972 4.924 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.224 13.500 5.515 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.818 10.879 5.868 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.183 12.034 6.763 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.325 8.590 6.607 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.680 9.745 7.502 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.075 8.018 7.431 1.00 0.00 H new ATOM 763 N ARG A 51 -2.688 15.695 5.525 1.00 0.00 N ATOM 764 CA ARG A 51 -2.765 17.068 5.042 1.00 0.00 C ATOM 765 C ARG A 51 -4.201 17.583 5.094 1.00 0.00 C ATOM 766 O ARG A 51 -4.966 17.457 4.138 1.00 0.00 O ATOM 767 CB ARG A 51 -2.231 17.159 3.612 1.00 0.00 C ATOM 768 CG ARG A 51 -0.723 16.997 3.513 1.00 0.00 C ATOM 769 CD ARG A 51 -0.009 18.332 3.660 1.00 0.00 C ATOM 770 NE ARG A 51 1.432 18.207 3.460 1.00 0.00 N ATOM 771 CZ ARG A 51 2.237 19.242 3.245 1.00 0.00 C ATOM 772 NH1 ARG A 51 1.744 20.472 3.202 1.00 0.00 N ATOM 773 NH2 ARG A 51 3.538 19.047 3.073 1.00 0.00 N ATOM 0 H ARG A 51 -3.347 15.055 5.082 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.150 17.690 5.692 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.711 16.392 3.005 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.513 18.123 3.189 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.378 16.311 4.287 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.466 16.549 2.553 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.415 19.041 2.939 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.203 18.740 4.652 1.00 0.00 H new ATOM 0 HE ARG A 51 1.843 17.274 3.487 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.744 20.626 3.334 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.364 21.265 3.037 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.921 18.102 3.106 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.155 19.842 2.908 1.00 0.00 H new ATOM 787 N PRO A 52 -4.576 18.177 6.236 1.00 0.00 N ATOM 788 CA PRO A 52 -5.921 18.723 6.440 1.00 0.00 C ATOM 789 C PRO A 52 -6.176 19.966 5.595 1.00 0.00 C ATOM 790 O PRO A 52 -7.300 20.463 5.531 1.00 0.00 O ATOM 791 CB PRO A 52 -5.938 19.075 7.930 1.00 0.00 C ATOM 792 CG PRO A 52 -4.509 19.302 8.282 1.00 0.00 C ATOM 793 CD PRO A 52 -3.715 18.362 7.417 1.00 0.00 C ATOM 0 HA PRO A 52 -6.697 18.016 6.146 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.539 19.965 8.120 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.368 18.268 8.523 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.222 20.337 8.099 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.331 19.104 9.339 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.747 18.785 7.147 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.520 17.417 7.924 1.00 0.00 H new ATOM 801 N GLU A 53 -5.126 20.462 4.948 1.00 0.00 N ATOM 802 CA GLU A 53 -5.239 21.648 4.107 1.00 0.00 C ATOM 803 C GLU A 53 -5.899 21.309 2.774 1.00 0.00 C ATOM 804 O GLU A 53 -6.719 22.073 2.262 1.00 0.00 O ATOM 805 CB GLU A 53 -3.858 22.261 3.864 1.00 0.00 C ATOM 806 CG GLU A 53 -3.864 23.391 2.848 1.00 0.00 C ATOM 807 CD GLU A 53 -4.269 24.720 3.455 1.00 0.00 C ATOM 808 OE1 GLU A 53 -3.521 25.233 4.313 1.00 0.00 O ATOM 809 OE2 GLU A 53 -5.335 25.246 3.072 1.00 0.00 O ATOM 0 H GLU A 53 -4.189 20.062 4.990 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.864 22.373 4.628 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.465 22.635 4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.178 21.480 3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.871 23.484 2.408 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.549 23.142 2.038 1.00 0.00 H new ATOM 816 N LEU A 54 -5.535 20.160 2.216 1.00 0.00 N ATOM 817 CA LEU A 54 -6.091 19.718 0.942 1.00 0.00 C ATOM 818 C LEU A 54 -7.595 19.489 1.054 1.00 0.00 C ATOM 819 O LEU A 54 -8.365 19.934 0.202 1.00 0.00 O ATOM 820 CB LEU A 54 -5.401 18.434 0.480 1.00 0.00 C ATOM 821 CG LEU A 54 -3.876 18.489 0.381 1.00 0.00 C ATOM 822 CD1 LEU A 54 -3.314 17.119 0.036 1.00 0.00 C ATOM 823 CD2 LEU A 54 -3.446 19.521 -0.652 1.00 0.00 C ATOM 0 H LEU A 54 -4.857 19.517 2.626 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.916 20.502 0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.672 17.632 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.799 18.163 -0.498 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.478 18.788 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.228 17.178 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.592 16.406 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.719 16.790 -0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.358 19.547 -0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.854 19.253 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.817 20.504 -0.361 1.00 0.00 H new ATOM 835 N ILE A 55 -8.006 18.796 2.110 1.00 0.00 N ATOM 836 CA ILE A 55 -9.417 18.511 2.334 1.00 0.00 C ATOM 837 C ILE A 55 -9.849 18.942 3.732 1.00 0.00 C ATOM 838 O ILE A 55 -9.090 18.820 4.692 1.00 0.00 O ATOM 839 CB ILE A 55 -9.726 17.013 2.153 1.00 0.00 C ATOM 840 CG1 ILE A 55 -9.394 16.571 0.726 1.00 0.00 C ATOM 841 CG2 ILE A 55 -11.185 16.730 2.476 1.00 0.00 C ATOM 842 CD1 ILE A 55 -9.590 15.090 0.491 1.00 0.00 C ATOM 0 H ILE A 55 -7.381 18.421 2.824 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.975 19.080 1.591 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.105 16.443 2.844 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.019 17.127 0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.359 16.832 0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.388 15.667 2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.390 17.012 3.509 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.824 17.307 1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.336 14.849 -0.541 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.945 14.526 1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.631 14.826 0.680 1.00 0.00 H new ATOM 854 N ASN A 56 -11.076 19.444 3.838 1.00 0.00 N ATOM 855 CA ASN A 56 -11.610 19.891 5.119 1.00 0.00 C ATOM 856 C ASN A 56 -12.846 19.084 5.505 1.00 0.00 C ATOM 857 O ASN A 56 -13.965 19.416 5.114 1.00 0.00 O ATOM 858 CB ASN A 56 -11.959 21.380 5.058 1.00 0.00 C ATOM 859 CG ASN A 56 -12.220 21.970 6.430 1.00 0.00 C ATOM 860 OD1 ASN A 56 -11.439 21.773 7.361 1.00 0.00 O ATOM 861 ND2 ASN A 56 -13.323 22.698 6.561 1.00 0.00 N ATOM 0 H ASN A 56 -11.718 19.551 3.053 1.00 0.00 H new ATOM 0 HA ASN A 56 -10.844 19.734 5.878 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -11.142 21.922 4.582 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -12.841 21.518 4.432 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.551 23.120 7.461 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.942 22.835 5.762 1.00 0.00 H new ATOM 868 N PHE A 57 -12.635 18.022 6.275 1.00 0.00 N ATOM 869 CA PHE A 57 -13.731 17.166 6.715 1.00 0.00 C ATOM 870 C PHE A 57 -14.889 18.000 7.255 1.00 0.00 C ATOM 871 O PHE A 57 -16.014 17.910 6.764 1.00 0.00 O ATOM 872 CB PHE A 57 -13.245 16.191 7.789 1.00 0.00 C ATOM 873 CG PHE A 57 -14.070 14.938 7.878 1.00 0.00 C ATOM 874 CD1 PHE A 57 -13.874 13.898 6.984 1.00 0.00 C ATOM 875 CD2 PHE A 57 -15.042 14.802 8.856 1.00 0.00 C ATOM 876 CE1 PHE A 57 -14.631 12.745 7.064 1.00 0.00 C ATOM 877 CE2 PHE A 57 -15.802 13.650 8.941 1.00 0.00 C ATOM 878 CZ PHE A 57 -15.597 12.621 8.043 1.00 0.00 C ATOM 0 H PHE A 57 -11.715 17.733 6.607 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.085 16.600 5.854 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.210 15.921 7.582 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.256 16.693 8.756 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.121 13.990 6.216 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.208 15.604 9.560 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.467 11.941 6.361 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.555 13.555 9.709 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.191 11.721 8.106 1.00 0.00 H new ATOM 888 N ASP A 58 -14.604 18.810 8.269 1.00 0.00 N ATOM 889 CA ASP A 58 -15.621 19.661 8.876 1.00 0.00 C ATOM 890 C ASP A 58 -16.537 20.258 7.812 1.00 0.00 C ATOM 891 O ASP A 58 -17.720 20.490 8.058 1.00 0.00 O ATOM 892 CB ASP A 58 -14.963 20.779 9.686 1.00 0.00 C ATOM 893 CG ASP A 58 -14.014 20.248 10.743 1.00 0.00 C ATOM 894 OD1 ASP A 58 -12.972 19.672 10.368 1.00 0.00 O ATOM 895 OD2 ASP A 58 -14.315 20.406 11.945 1.00 0.00 O ATOM 0 H ASP A 58 -13.678 18.895 8.688 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.224 19.045 9.544 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.418 21.440 9.012 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.736 21.380 10.165 1.00 0.00 H new ATOM 900 N SER A 59 -15.980 20.504 6.631 1.00 0.00 N ATOM 901 CA SER A 59 -16.746 21.079 5.531 1.00 0.00 C ATOM 902 C SER A 59 -17.464 19.989 4.741 1.00 0.00 C ATOM 903 O SER A 59 -18.616 20.155 4.337 1.00 0.00 O ATOM 904 CB SER A 59 -15.826 21.875 4.602 1.00 0.00 C ATOM 905 OG SER A 59 -15.585 23.174 5.115 1.00 0.00 O ATOM 0 H SER A 59 -15.002 20.315 6.411 1.00 0.00 H new ATOM 0 HA SER A 59 -17.494 21.750 5.954 1.00 0.00 H new ATOM 0 HB2 SER A 59 -14.880 21.347 4.481 1.00 0.00 H new ATOM 0 HB3 SER A 59 -16.278 21.949 3.613 1.00 0.00 H new ATOM 0 HG SER A 59 -15.129 23.714 4.436 1.00 0.00 H new ATOM 911 N LEU A 60 -16.776 18.873 4.524 1.00 0.00 N ATOM 912 CA LEU A 60 -17.347 17.754 3.783 1.00 0.00 C ATOM 913 C LEU A 60 -18.687 17.334 4.377 1.00 0.00 C ATOM 914 O LEU A 60 -18.753 16.852 5.507 1.00 0.00 O ATOM 915 CB LEU A 60 -16.381 16.568 3.787 1.00 0.00 C ATOM 916 CG LEU A 60 -14.989 16.835 3.212 1.00 0.00 C ATOM 917 CD1 LEU A 60 -14.066 15.656 3.481 1.00 0.00 C ATOM 918 CD2 LEU A 60 -15.074 17.118 1.719 1.00 0.00 C ATOM 0 H LEU A 60 -15.822 18.719 4.851 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.512 18.078 2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.268 16.221 4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.835 15.753 3.223 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.575 17.715 3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.080 15.863 3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.980 15.499 4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.475 14.760 3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.074 17.306 1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.508 16.258 1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.701 17.994 1.550 1.00 0.00 H new ATOM 930 N ASN A 61 -19.755 17.520 3.607 1.00 0.00 N ATOM 931 CA ASN A 61 -21.094 17.159 4.057 1.00 0.00 C ATOM 932 C ASN A 61 -21.481 15.771 3.555 1.00 0.00 C ATOM 933 O ASN A 61 -21.504 15.520 2.350 1.00 0.00 O ATOM 934 CB ASN A 61 -22.113 18.191 3.571 1.00 0.00 C ATOM 935 CG ASN A 61 -23.488 17.589 3.354 1.00 0.00 C ATOM 936 OD1 ASN A 61 -23.943 16.756 4.138 1.00 0.00 O ATOM 937 ND2 ASN A 61 -24.156 18.008 2.286 1.00 0.00 N ATOM 0 H ASN A 61 -19.719 17.919 2.669 1.00 0.00 H new ATOM 0 HA ASN A 61 -21.092 17.145 5.147 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -22.184 18.998 4.300 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -21.762 18.633 2.639 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -25.086 17.638 2.088 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -23.740 18.700 1.663 1.00 0.00 H new ATOM 944 N GLU A 62 -21.783 14.873 4.488 1.00 0.00 N ATOM 945 CA GLU A 62 -22.169 13.511 4.140 1.00 0.00 C ATOM 946 C GLU A 62 -23.197 13.507 3.012 1.00 0.00 C ATOM 947 O GLU A 62 -23.069 12.760 2.042 1.00 0.00 O ATOM 948 CB GLU A 62 -22.735 12.788 5.364 1.00 0.00 C ATOM 949 CG GLU A 62 -23.990 13.435 5.925 1.00 0.00 C ATOM 950 CD GLU A 62 -23.749 14.848 6.417 1.00 0.00 C ATOM 951 OE1 GLU A 62 -22.665 15.101 6.985 1.00 0.00 O ATOM 952 OE2 GLU A 62 -24.642 15.701 6.235 1.00 0.00 O ATOM 0 H GLU A 62 -21.768 15.064 5.490 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.278 12.985 3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -22.958 11.755 5.095 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -21.973 12.757 6.143 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.762 13.449 5.155 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -24.370 12.828 6.747 1.00 0.00 H new ATOM 959 N ASP A 63 -24.218 14.347 3.149 1.00 0.00 N ATOM 960 CA ASP A 63 -25.269 14.442 2.142 1.00 0.00 C ATOM 961 C ASP A 63 -24.688 14.824 0.784 1.00 0.00 C ATOM 962 O ASP A 63 -25.244 14.479 -0.259 1.00 0.00 O ATOM 963 CB ASP A 63 -26.320 15.468 2.568 1.00 0.00 C ATOM 964 CG ASP A 63 -27.426 14.852 3.403 1.00 0.00 C ATOM 965 OD1 ASP A 63 -27.121 13.976 4.239 1.00 0.00 O ATOM 966 OD2 ASP A 63 -28.596 15.247 3.220 1.00 0.00 O ATOM 0 H ASP A 63 -24.340 14.971 3.947 1.00 0.00 H new ATOM 0 HA ASP A 63 -25.742 13.464 2.052 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -25.838 16.262 3.138 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -26.753 15.930 1.681 1.00 0.00 H new ATOM 971 N ASP A 64 -23.569 15.538 0.805 1.00 0.00 N ATOM 972 CA ASP A 64 -22.912 15.967 -0.425 1.00 0.00 C ATOM 973 C ASP A 64 -21.889 14.933 -0.884 1.00 0.00 C ATOM 974 O ASP A 64 -20.777 15.279 -1.280 1.00 0.00 O ATOM 975 CB ASP A 64 -22.231 17.320 -0.219 1.00 0.00 C ATOM 976 CG ASP A 64 -23.147 18.485 -0.540 1.00 0.00 C ATOM 977 OD1 ASP A 64 -24.077 18.302 -1.354 1.00 0.00 O ATOM 978 OD2 ASP A 64 -22.934 19.579 0.022 1.00 0.00 O ATOM 0 H ASP A 64 -23.097 15.832 1.660 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.673 16.066 -1.199 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.895 17.400 0.815 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -21.343 17.376 -0.848 1.00 0.00 H new ATOM 983 N ALA A 65 -22.273 13.662 -0.826 1.00 0.00 N ATOM 984 CA ALA A 65 -21.390 12.577 -1.237 1.00 0.00 C ATOM 985 C ALA A 65 -20.745 12.876 -2.586 1.00 0.00 C ATOM 986 O ALA A 65 -19.526 12.792 -2.735 1.00 0.00 O ATOM 987 CB ALA A 65 -22.158 11.265 -1.295 1.00 0.00 C ATOM 0 H ALA A 65 -23.190 13.358 -0.498 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.595 12.487 -0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.486 10.464 -1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -22.566 11.038 -0.310 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -22.973 11.352 -2.014 1.00 0.00 H new ATOM 993 N VAL A 66 -21.571 13.224 -3.568 1.00 0.00 N ATOM 994 CA VAL A 66 -21.081 13.535 -4.905 1.00 0.00 C ATOM 995 C VAL A 66 -19.859 14.444 -4.845 1.00 0.00 C ATOM 996 O VAL A 66 -18.810 14.128 -5.405 1.00 0.00 O ATOM 997 CB VAL A 66 -22.170 14.212 -5.758 1.00 0.00 C ATOM 998 CG1 VAL A 66 -21.620 14.587 -7.126 1.00 0.00 C ATOM 999 CG2 VAL A 66 -23.383 13.304 -5.893 1.00 0.00 C ATOM 0 H VAL A 66 -22.583 13.297 -3.462 1.00 0.00 H new ATOM 0 HA VAL A 66 -20.803 12.588 -5.369 1.00 0.00 H new ATOM 0 HB VAL A 66 -22.484 15.127 -5.255 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -22.403 15.064 -7.715 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -20.785 15.277 -7.006 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -21.277 13.689 -7.639 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -24.142 13.799 -6.499 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -23.087 12.371 -6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -23.790 13.091 -4.904 1.00 0.00 H new ATOM 1009 N GLU A 67 -20.002 15.575 -4.160 1.00 0.00 N ATOM 1010 CA GLU A 67 -18.909 16.530 -4.027 1.00 0.00 C ATOM 1011 C GLU A 67 -17.752 15.927 -3.235 1.00 0.00 C ATOM 1012 O GLU A 67 -16.599 15.984 -3.660 1.00 0.00 O ATOM 1013 CB GLU A 67 -19.399 17.807 -3.342 1.00 0.00 C ATOM 1014 CG GLU A 67 -20.161 18.741 -4.267 1.00 0.00 C ATOM 1015 CD GLU A 67 -19.390 19.066 -5.532 1.00 0.00 C ATOM 1016 OE1 GLU A 67 -18.294 19.655 -5.422 1.00 0.00 O ATOM 1017 OE2 GLU A 67 -19.882 18.733 -6.630 1.00 0.00 O ATOM 0 H GLU A 67 -20.864 15.851 -3.689 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.552 16.776 -5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -20.041 17.536 -2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.542 18.339 -2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -21.114 18.284 -4.534 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.388 19.666 -3.737 1.00 0.00 H new ATOM 1024 N ASN A 68 -18.071 15.349 -2.082 1.00 0.00 N ATOM 1025 CA ASN A 68 -17.058 14.736 -1.229 1.00 0.00 C ATOM 1026 C ASN A 68 -16.128 13.844 -2.045 1.00 0.00 C ATOM 1027 O ASN A 68 -14.907 13.979 -1.979 1.00 0.00 O ATOM 1028 CB ASN A 68 -17.723 13.918 -0.120 1.00 0.00 C ATOM 1029 CG ASN A 68 -18.335 14.794 0.957 1.00 0.00 C ATOM 1030 OD1 ASN A 68 -17.847 15.890 1.232 1.00 0.00 O ATOM 1031 ND2 ASN A 68 -19.408 14.312 1.572 1.00 0.00 N ATOM 0 H ASN A 68 -19.022 15.292 -1.717 1.00 0.00 H new ATOM 0 HA ASN A 68 -16.466 15.533 -0.779 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -18.498 13.285 -0.554 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -16.985 13.255 0.331 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.863 14.856 2.306 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.778 13.398 1.311 1.00 0.00 H new ATOM 1038 N ASN A 69 -16.714 12.933 -2.815 1.00 0.00 N ATOM 1039 CA ASN A 69 -15.938 12.018 -3.644 1.00 0.00 C ATOM 1040 C ASN A 69 -15.100 12.786 -4.663 1.00 0.00 C ATOM 1041 O ASN A 69 -13.872 12.719 -4.647 1.00 0.00 O ATOM 1042 CB ASN A 69 -16.865 11.038 -4.365 1.00 0.00 C ATOM 1043 CG ASN A 69 -17.567 10.096 -3.406 1.00 0.00 C ATOM 1044 OD1 ASN A 69 -16.927 9.299 -2.719 1.00 0.00 O ATOM 1045 ND2 ASN A 69 -18.892 10.183 -3.355 1.00 0.00 N ATOM 0 H ASN A 69 -17.724 12.809 -2.882 1.00 0.00 H new ATOM 0 HA ASN A 69 -15.266 11.459 -2.993 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -17.610 11.596 -4.932 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -16.287 10.457 -5.084 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -19.419 9.575 -2.729 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -19.382 10.858 -3.942 1.00 0.00 H new ATOM 1052 N GLN A 70 -15.775 13.514 -5.547 1.00 0.00 N ATOM 1053 CA GLN A 70 -15.093 14.294 -6.573 1.00 0.00 C ATOM 1054 C GLN A 70 -13.857 14.981 -6.003 1.00 0.00 C ATOM 1055 O GLN A 70 -12.774 14.919 -6.587 1.00 0.00 O ATOM 1056 CB GLN A 70 -16.043 15.336 -7.166 1.00 0.00 C ATOM 1057 CG GLN A 70 -15.701 15.727 -8.595 1.00 0.00 C ATOM 1058 CD GLN A 70 -14.256 16.157 -8.753 1.00 0.00 C ATOM 1059 OE1 GLN A 70 -13.850 17.206 -8.254 1.00 0.00 O ATOM 1060 NE2 GLN A 70 -13.470 15.345 -9.450 1.00 0.00 N ATOM 0 H GLN A 70 -16.793 13.580 -5.573 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.775 13.612 -7.361 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -17.060 14.946 -7.138 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -16.027 16.228 -6.540 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.899 14.883 -9.256 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -16.355 16.540 -8.911 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.849 14.485 -9.846 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.488 15.581 -9.589 1.00 0.00 H new ATOM 1069 N LEU A 71 -14.024 15.635 -4.859 1.00 0.00 N ATOM 1070 CA LEU A 71 -12.921 16.335 -4.209 1.00 0.00 C ATOM 1071 C LEU A 71 -11.725 15.408 -4.021 1.00 0.00 C ATOM 1072 O LEU A 71 -10.657 15.634 -4.589 1.00 0.00 O ATOM 1073 CB LEU A 71 -13.370 16.889 -2.856 1.00 0.00 C ATOM 1074 CG LEU A 71 -12.304 17.629 -2.047 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -11.924 18.932 -2.732 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -12.796 17.893 -0.631 1.00 0.00 C ATOM 0 H LEU A 71 -14.913 15.695 -4.362 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.619 17.163 -4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -14.207 17.567 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.746 16.062 -2.254 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.416 16.999 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.164 19.445 -2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.529 18.719 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.805 19.567 -2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.024 18.420 -0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.699 18.503 -0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.018 16.945 -0.140 1.00 0.00 H new ATOM 1088 N ALA A 72 -11.912 14.363 -3.221 1.00 0.00 N ATOM 1089 CA ALA A 72 -10.849 13.400 -2.961 1.00 0.00 C ATOM 1090 C ALA A 72 -10.156 12.985 -4.255 1.00 0.00 C ATOM 1091 O ALA A 72 -8.929 13.019 -4.351 1.00 0.00 O ATOM 1092 CB ALA A 72 -11.407 12.179 -2.244 1.00 0.00 C ATOM 0 H ALA A 72 -12.790 14.162 -2.742 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.108 13.878 -2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.602 11.468 -2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.850 12.485 -1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.169 11.709 -2.866 1.00 0.00 H new ATOM 1098 N PHE A 73 -10.949 12.593 -5.246 1.00 0.00 N ATOM 1099 CA PHE A 73 -10.411 12.170 -6.534 1.00 0.00 C ATOM 1100 C PHE A 73 -9.500 13.244 -7.122 1.00 0.00 C ATOM 1101 O PHE A 73 -8.361 12.969 -7.499 1.00 0.00 O ATOM 1102 CB PHE A 73 -11.549 11.860 -7.509 1.00 0.00 C ATOM 1103 CG PHE A 73 -12.378 10.675 -7.105 1.00 0.00 C ATOM 1104 CD1 PHE A 73 -11.776 9.521 -6.628 1.00 0.00 C ATOM 1105 CD2 PHE A 73 -13.759 10.713 -7.203 1.00 0.00 C ATOM 1106 CE1 PHE A 73 -12.536 8.429 -6.255 1.00 0.00 C ATOM 1107 CE2 PHE A 73 -14.525 9.624 -6.831 1.00 0.00 C ATOM 1108 CZ PHE A 73 -13.912 8.480 -6.358 1.00 0.00 C ATOM 0 H PHE A 73 -11.966 12.559 -5.182 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.822 11.267 -6.375 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -12.195 12.734 -7.591 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -11.130 11.680 -8.499 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -10.700 9.475 -6.547 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -14.243 11.604 -7.574 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.054 7.537 -5.883 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -15.601 9.668 -6.910 1.00 0.00 H new ATOM 0 HZ PHE A 73 -14.508 7.627 -6.069 1.00 0.00 H new ATOM 1118 N ASP A 74 -10.011 14.468 -7.198 1.00 0.00 N ATOM 1119 CA ASP A 74 -9.245 15.584 -7.740 1.00 0.00 C ATOM 1120 C ASP A 74 -7.930 15.757 -6.986 1.00 0.00 C ATOM 1121 O ASP A 74 -6.856 15.778 -7.587 1.00 0.00 O ATOM 1122 CB ASP A 74 -10.063 16.875 -7.666 1.00 0.00 C ATOM 1123 CG ASP A 74 -9.641 17.888 -8.713 1.00 0.00 C ATOM 1124 OD1 ASP A 74 -8.443 17.912 -9.065 1.00 0.00 O ATOM 1125 OD2 ASP A 74 -10.508 18.657 -9.178 1.00 0.00 O ATOM 0 H ASP A 74 -10.953 14.712 -6.891 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.019 15.365 -8.784 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.119 16.640 -7.796 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.954 17.315 -6.675 1.00 0.00 H new ATOM 1130 N VAL A 75 -8.022 15.882 -5.666 1.00 0.00 N ATOM 1131 CA VAL A 75 -6.840 16.054 -4.830 1.00 0.00 C ATOM 1132 C VAL A 75 -5.789 14.995 -5.142 1.00 0.00 C ATOM 1133 O VAL A 75 -4.590 15.274 -5.131 1.00 0.00 O ATOM 1134 CB VAL A 75 -7.197 15.983 -3.333 1.00 0.00 C ATOM 1135 CG1 VAL A 75 -5.945 16.115 -2.479 1.00 0.00 C ATOM 1136 CG2 VAL A 75 -8.212 17.057 -2.976 1.00 0.00 C ATOM 0 H VAL A 75 -8.903 15.867 -5.152 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.434 17.041 -5.052 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.645 15.011 -3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.217 16.063 -1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.255 15.305 -2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.465 17.072 -2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.453 16.992 -1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.794 18.040 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.119 16.910 -3.563 1.00 0.00 H new ATOM 1146 N ALA A 76 -6.246 13.779 -5.420 1.00 0.00 N ATOM 1147 CA ALA A 76 -5.344 12.678 -5.738 1.00 0.00 C ATOM 1148 C ALA A 76 -4.610 12.932 -7.050 1.00 0.00 C ATOM 1149 O ALA A 76 -3.443 12.570 -7.198 1.00 0.00 O ATOM 1150 CB ALA A 76 -6.115 11.368 -5.807 1.00 0.00 C ATOM 0 H ALA A 76 -7.235 13.531 -5.432 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.601 12.608 -4.944 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.430 10.555 -6.045 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.589 11.173 -4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.880 11.436 -6.581 1.00 0.00 H new ATOM 1156 N GLU A 77 -5.301 13.555 -7.999 1.00 0.00 N ATOM 1157 CA GLU A 77 -4.713 13.855 -9.299 1.00 0.00 C ATOM 1158 C GLU A 77 -4.085 15.246 -9.305 1.00 0.00 C ATOM 1159 O GLU A 77 -3.350 15.603 -10.226 1.00 0.00 O ATOM 1160 CB GLU A 77 -5.773 13.756 -10.398 1.00 0.00 C ATOM 1161 CG GLU A 77 -5.211 13.354 -11.752 1.00 0.00 C ATOM 1162 CD GLU A 77 -4.372 14.447 -12.384 1.00 0.00 C ATOM 1163 OE1 GLU A 77 -4.946 15.486 -12.773 1.00 0.00 O ATOM 1164 OE2 GLU A 77 -3.141 14.264 -12.489 1.00 0.00 O ATOM 0 H GLU A 77 -6.268 13.862 -7.892 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.930 13.122 -9.493 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.529 13.030 -10.098 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.276 14.718 -10.494 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.604 12.456 -11.637 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.033 13.100 -12.421 1.00 0.00 H new ATOM 1171 N ARG A 78 -4.383 16.027 -8.272 1.00 0.00 N ATOM 1172 CA ARG A 78 -3.850 17.379 -8.158 1.00 0.00 C ATOM 1173 C ARG A 78 -2.564 17.390 -7.337 1.00 0.00 C ATOM 1174 O ARG A 78 -1.652 18.170 -7.607 1.00 0.00 O ATOM 1175 CB ARG A 78 -4.885 18.305 -7.516 1.00 0.00 C ATOM 1176 CG ARG A 78 -4.311 19.636 -7.059 1.00 0.00 C ATOM 1177 CD ARG A 78 -5.411 20.626 -6.707 1.00 0.00 C ATOM 1178 NE ARG A 78 -6.254 20.938 -7.858 1.00 0.00 N ATOM 1179 CZ ARG A 78 -6.998 22.035 -7.947 1.00 0.00 C ATOM 1180 NH1 ARG A 78 -7.001 22.920 -6.960 1.00 0.00 N ATOM 1181 NH2 ARG A 78 -7.739 22.249 -9.027 1.00 0.00 N ATOM 0 H ARG A 78 -4.991 15.747 -7.502 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.623 17.738 -9.162 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.687 18.491 -8.231 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.332 17.799 -6.660 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.670 19.478 -6.191 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.684 20.053 -7.847 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.027 20.215 -5.907 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.964 21.544 -6.325 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.273 20.278 -8.636 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.431 22.760 -6.129 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.573 23.761 -7.031 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.737 21.571 -9.789 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.310 23.091 -9.095 1.00 0.00 H new ATOM 1195 N GLU A 79 -2.501 16.519 -6.335 1.00 0.00 N ATOM 1196 CA GLU A 79 -1.327 16.430 -5.474 1.00 0.00 C ATOM 1197 C GLU A 79 -0.464 15.230 -5.853 1.00 0.00 C ATOM 1198 O GLU A 79 0.728 15.370 -6.128 1.00 0.00 O ATOM 1199 CB GLU A 79 -1.749 16.326 -4.007 1.00 0.00 C ATOM 1200 CG GLU A 79 -1.970 17.673 -3.340 1.00 0.00 C ATOM 1201 CD GLU A 79 -0.671 18.362 -2.972 1.00 0.00 C ATOM 1202 OE1 GLU A 79 0.176 18.549 -3.871 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -0.500 18.713 -1.786 1.00 0.00 O ATOM 0 H GLU A 79 -3.248 15.866 -6.099 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.738 17.337 -5.611 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.668 15.743 -3.943 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.985 15.778 -3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.541 18.316 -4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.571 17.535 -2.441 1.00 0.00 H new ATOM 1210 N PHE A 80 -1.075 14.049 -5.864 1.00 0.00 N ATOM 1211 CA PHE A 80 -0.364 12.824 -6.208 1.00 0.00 C ATOM 1212 C PHE A 80 -0.334 12.617 -7.719 1.00 0.00 C ATOM 1213 O PHE A 80 0.543 11.934 -8.246 1.00 0.00 O ATOM 1214 CB PHE A 80 -1.022 11.620 -5.530 1.00 0.00 C ATOM 1215 CG PHE A 80 -1.285 11.826 -4.066 1.00 0.00 C ATOM 1216 CD1 PHE A 80 -0.274 12.255 -3.221 1.00 0.00 C ATOM 1217 CD2 PHE A 80 -2.543 11.592 -3.534 1.00 0.00 C ATOM 1218 CE1 PHE A 80 -0.513 12.444 -1.873 1.00 0.00 C ATOM 1219 CE2 PHE A 80 -2.788 11.780 -2.187 1.00 0.00 C ATOM 1220 CZ PHE A 80 -1.772 12.208 -1.355 1.00 0.00 C ATOM 0 H PHE A 80 -2.061 13.915 -5.639 1.00 0.00 H new ATOM 0 HA PHE A 80 0.662 12.918 -5.852 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.964 11.400 -6.033 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.382 10.747 -5.657 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.712 12.444 -3.620 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.342 11.259 -4.180 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.284 12.776 -1.225 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.773 11.592 -1.785 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.961 12.358 -0.302 1.00 0.00 H new ATOM 1230 N GLY A 81 -1.300 13.213 -8.411 1.00 0.00 N ATOM 1231 CA GLY A 81 -1.368 13.083 -9.855 1.00 0.00 C ATOM 1232 C GLY A 81 -1.882 11.725 -10.291 1.00 0.00 C ATOM 1233 O GLY A 81 -1.617 11.283 -11.409 1.00 0.00 O ATOM 0 H GLY A 81 -2.037 13.784 -7.997 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.018 13.860 -10.257 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.377 13.246 -10.279 1.00 0.00 H new ATOM 1237 N ILE A 82 -2.618 11.061 -9.406 1.00 0.00 N ATOM 1238 CA ILE A 82 -3.169 9.745 -9.706 1.00 0.00 C ATOM 1239 C ILE A 82 -4.524 9.861 -10.396 1.00 0.00 C ATOM 1240 O ILE A 82 -5.451 10.497 -9.895 1.00 0.00 O ATOM 1241 CB ILE A 82 -3.327 8.897 -8.430 1.00 0.00 C ATOM 1242 CG1 ILE A 82 -1.967 8.685 -7.761 1.00 0.00 C ATOM 1243 CG2 ILE A 82 -3.974 7.560 -8.759 1.00 0.00 C ATOM 1244 CD1 ILE A 82 -2.059 8.038 -6.397 1.00 0.00 C ATOM 0 H ILE A 82 -2.846 11.412 -8.476 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.464 9.252 -10.375 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.975 9.431 -7.735 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.346 8.065 -8.407 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.465 9.648 -7.665 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.079 6.972 -7.847 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.958 7.730 -9.196 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.350 7.019 -9.470 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.058 7.919 -5.983 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.653 8.668 -5.735 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.532 7.061 -6.489 1.00 0.00 H new ATOM 1256 N PRO A 83 -4.643 9.231 -11.574 1.00 0.00 N ATOM 1257 CA PRO A 83 -5.882 9.247 -12.358 1.00 0.00 C ATOM 1258 C PRO A 83 -6.994 8.437 -11.702 1.00 0.00 C ATOM 1259 O PRO A 83 -6.816 7.273 -11.339 1.00 0.00 O ATOM 1260 CB PRO A 83 -5.468 8.609 -13.687 1.00 0.00 C ATOM 1261 CG PRO A 83 -4.299 7.751 -13.348 1.00 0.00 C ATOM 1262 CD PRO A 83 -3.578 8.455 -12.232 1.00 0.00 C ATOM 0 HA PRO A 83 -6.287 10.254 -12.460 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.280 8.021 -14.114 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.202 9.367 -14.424 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.621 6.757 -13.038 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -3.648 7.620 -14.212 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.113 7.748 -11.545 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.785 9.101 -12.610 1.00 0.00 H new ATOM 1270 N PRO A 84 -8.169 9.063 -11.544 1.00 0.00 N ATOM 1271 CA PRO A 84 -9.334 8.418 -10.931 1.00 0.00 C ATOM 1272 C PRO A 84 -9.924 7.325 -11.815 1.00 0.00 C ATOM 1273 O PRO A 84 -9.732 7.326 -13.031 1.00 0.00 O ATOM 1274 CB PRO A 84 -10.331 9.568 -10.765 1.00 0.00 C ATOM 1275 CG PRO A 84 -9.945 10.556 -11.812 1.00 0.00 C ATOM 1276 CD PRO A 84 -8.452 10.449 -11.952 1.00 0.00 C ATOM 0 HA PRO A 84 -9.078 7.920 -9.996 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.357 9.226 -10.902 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.271 10.004 -9.768 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.442 10.337 -12.757 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.239 11.565 -11.523 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.130 10.640 -12.976 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.936 11.168 -11.316 1.00 0.00 H new ATOM 1284 N VAL A 85 -10.643 6.393 -11.197 1.00 0.00 N ATOM 1285 CA VAL A 85 -11.262 5.295 -11.929 1.00 0.00 C ATOM 1286 C VAL A 85 -12.739 5.571 -12.189 1.00 0.00 C ATOM 1287 O VAL A 85 -13.282 5.183 -13.224 1.00 0.00 O ATOM 1288 CB VAL A 85 -11.127 3.964 -11.164 1.00 0.00 C ATOM 1289 CG1 VAL A 85 -9.662 3.628 -10.933 1.00 0.00 C ATOM 1290 CG2 VAL A 85 -11.883 4.029 -9.846 1.00 0.00 C ATOM 0 H VAL A 85 -10.811 6.377 -10.191 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.737 5.214 -12.881 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.566 3.170 -11.769 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.586 2.685 -10.392 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.154 3.537 -11.893 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.195 4.421 -10.349 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.777 3.081 -9.319 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.476 4.833 -9.232 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.938 4.220 -10.041 1.00 0.00 H new ATOM 1300 N THR A 86 -13.384 6.246 -11.243 1.00 0.00 N ATOM 1301 CA THR A 86 -14.799 6.574 -11.368 1.00 0.00 C ATOM 1302 C THR A 86 -15.070 8.011 -10.937 1.00 0.00 C ATOM 1303 O THR A 86 -14.217 8.660 -10.331 1.00 0.00 O ATOM 1304 CB THR A 86 -15.673 5.624 -10.528 1.00 0.00 C ATOM 1305 OG1 THR A 86 -17.052 5.791 -10.877 1.00 0.00 O ATOM 1306 CG2 THR A 86 -15.485 5.888 -9.042 1.00 0.00 C ATOM 0 H THR A 86 -12.949 6.576 -10.382 1.00 0.00 H new ATOM 0 HA THR A 86 -15.058 6.458 -12.420 1.00 0.00 H new ATOM 0 HB THR A 86 -15.366 4.600 -10.740 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.601 5.182 -10.340 1.00 0.00 H new ATOM 0 HG21 THR A 86 -16.112 5.205 -8.469 1.00 0.00 H new ATOM 0 HG22 THR A 86 -14.440 5.732 -8.774 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.768 6.916 -8.816 1.00 0.00 H new ATOM 1314 N THR A 87 -16.264 8.503 -11.252 1.00 0.00 N ATOM 1315 CA THR A 87 -16.648 9.864 -10.897 1.00 0.00 C ATOM 1316 C THR A 87 -17.600 9.874 -9.707 1.00 0.00 C ATOM 1317 O THR A 87 -18.500 9.040 -9.613 1.00 0.00 O ATOM 1318 CB THR A 87 -17.317 10.586 -12.082 1.00 0.00 C ATOM 1319 OG1 THR A 87 -18.341 9.758 -12.645 1.00 0.00 O ATOM 1320 CG2 THR A 87 -16.293 10.934 -13.152 1.00 0.00 C ATOM 0 H THR A 87 -16.982 7.979 -11.752 1.00 0.00 H new ATOM 0 HA THR A 87 -15.732 10.391 -10.630 1.00 0.00 H new ATOM 0 HB THR A 87 -17.760 11.511 -11.712 1.00 0.00 H new ATOM 0 HG1 THR A 87 -18.763 10.225 -13.397 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.789 11.443 -13.978 1.00 0.00 H new ATOM 0 HG22 THR A 87 -15.531 11.588 -12.728 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.824 10.021 -13.518 1.00 0.00 H new ATOM 1328 N GLY A 88 -17.396 10.824 -8.799 1.00 0.00 N ATOM 1329 CA GLY A 88 -18.246 10.924 -7.627 1.00 0.00 C ATOM 1330 C GLY A 88 -19.694 10.594 -7.930 1.00 0.00 C ATOM 1331 O GLY A 88 -20.318 9.801 -7.226 1.00 0.00 O ATOM 0 H GLY A 88 -16.658 11.526 -8.854 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.877 10.248 -6.856 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -18.184 11.934 -7.222 1.00 0.00 H new ATOM 1335 N LYS A 89 -20.231 11.206 -8.980 1.00 0.00 N ATOM 1336 CA LYS A 89 -21.615 10.974 -9.376 1.00 0.00 C ATOM 1337 C LYS A 89 -21.868 9.491 -9.626 1.00 0.00 C ATOM 1338 O LYS A 89 -22.695 8.873 -8.956 1.00 0.00 O ATOM 1339 CB LYS A 89 -21.948 11.778 -10.635 1.00 0.00 C ATOM 1340 CG LYS A 89 -22.044 13.275 -10.393 1.00 0.00 C ATOM 1341 CD LYS A 89 -22.483 14.015 -11.646 1.00 0.00 C ATOM 1342 CE LYS A 89 -23.113 15.357 -11.308 1.00 0.00 C ATOM 1343 NZ LYS A 89 -23.765 15.978 -12.494 1.00 0.00 N ATOM 0 H LYS A 89 -19.728 11.867 -9.572 1.00 0.00 H new ATOM 0 HA LYS A 89 -22.260 11.302 -8.561 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -21.184 11.589 -11.389 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -22.894 11.423 -11.043 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -22.752 13.470 -9.587 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -21.076 13.654 -10.065 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -21.624 14.169 -12.299 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -23.198 13.405 -12.199 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -23.851 15.223 -10.517 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -22.348 16.030 -10.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -24.182 16.891 -12.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -23.056 16.130 -13.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -24.512 15.348 -12.849 1.00 0.00 H new ATOM 1357 N GLU A 90 -21.150 8.926 -10.592 1.00 0.00 N ATOM 1358 CA GLU A 90 -21.298 7.515 -10.927 1.00 0.00 C ATOM 1359 C GLU A 90 -21.113 6.639 -9.691 1.00 0.00 C ATOM 1360 O GLU A 90 -21.729 5.581 -9.570 1.00 0.00 O ATOM 1361 CB GLU A 90 -20.287 7.116 -12.005 1.00 0.00 C ATOM 1362 CG GLU A 90 -20.361 5.649 -12.394 1.00 0.00 C ATOM 1363 CD GLU A 90 -19.802 5.385 -13.779 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -18.643 5.770 -14.035 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -20.526 4.792 -14.607 1.00 0.00 O ATOM 0 H GLU A 90 -20.461 9.424 -11.156 1.00 0.00 H new ATOM 0 HA GLU A 90 -22.307 7.363 -11.310 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -20.454 7.727 -12.892 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -19.281 7.339 -11.649 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -19.810 5.055 -11.665 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -21.399 5.319 -12.356 1.00 0.00 H new ATOM 1372 N MET A 91 -20.260 7.089 -8.777 1.00 0.00 N ATOM 1373 CA MET A 91 -19.994 6.348 -7.550 1.00 0.00 C ATOM 1374 C MET A 91 -21.221 6.337 -6.644 1.00 0.00 C ATOM 1375 O MET A 91 -21.655 5.281 -6.184 1.00 0.00 O ATOM 1376 CB MET A 91 -18.803 6.958 -6.808 1.00 0.00 C ATOM 1377 CG MET A 91 -18.031 5.953 -5.968 1.00 0.00 C ATOM 1378 SD MET A 91 -19.109 4.775 -5.129 1.00 0.00 S ATOM 1379 CE MET A 91 -18.179 3.259 -5.337 1.00 0.00 C ATOM 0 H MET A 91 -19.741 7.963 -8.863 1.00 0.00 H new ATOM 0 HA MET A 91 -19.756 5.320 -7.821 1.00 0.00 H new ATOM 0 HB2 MET A 91 -18.126 7.409 -7.533 1.00 0.00 H new ATOM 0 HB3 MET A 91 -19.160 7.761 -6.163 1.00 0.00 H new ATOM 0 HG2 MET A 91 -17.334 5.411 -6.607 1.00 0.00 H new ATOM 0 HG3 MET A 91 -17.435 6.486 -5.227 1.00 0.00 H new ATOM 0 HE1 MET A 91 -18.861 2.409 -5.327 1.00 0.00 H new ATOM 0 HE2 MET A 91 -17.647 3.286 -6.288 1.00 0.00 H new ATOM 0 HE3 MET A 91 -17.461 3.158 -4.523 1.00 0.00 H new ATOM 1389 N ALA A 92 -21.776 7.518 -6.393 1.00 0.00 N ATOM 1390 CA ALA A 92 -22.954 7.643 -5.544 1.00 0.00 C ATOM 1391 C ALA A 92 -24.160 6.955 -6.174 1.00 0.00 C ATOM 1392 O ALA A 92 -25.218 6.847 -5.554 1.00 0.00 O ATOM 1393 CB ALA A 92 -23.259 9.110 -5.278 1.00 0.00 C ATOM 0 H ALA A 92 -21.429 8.402 -6.766 1.00 0.00 H new ATOM 0 HA ALA A 92 -22.742 7.150 -4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -24.141 9.189 -4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -22.409 9.573 -4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -23.446 9.620 -6.223 1.00 0.00 H new ATOM 1399 N SER A 93 -23.994 6.494 -7.409 1.00 0.00 N ATOM 1400 CA SER A 93 -25.072 5.820 -8.125 1.00 0.00 C ATOM 1401 C SER A 93 -24.976 4.308 -7.952 1.00 0.00 C ATOM 1402 O SER A 93 -25.961 3.646 -7.624 1.00 0.00 O ATOM 1403 CB SER A 93 -25.027 6.179 -9.611 1.00 0.00 C ATOM 1404 OG SER A 93 -25.806 7.331 -9.882 1.00 0.00 O ATOM 0 H SER A 93 -23.124 6.574 -7.935 1.00 0.00 H new ATOM 0 HA SER A 93 -26.020 6.156 -7.706 1.00 0.00 H new ATOM 0 HB2 SER A 93 -23.995 6.355 -9.915 1.00 0.00 H new ATOM 0 HB3 SER A 93 -25.395 5.340 -10.202 1.00 0.00 H new ATOM 0 HG SER A 93 -25.759 7.540 -10.838 1.00 0.00 H new ATOM 1410 N ALA A 94 -23.783 3.767 -8.175 1.00 0.00 N ATOM 1411 CA ALA A 94 -23.558 2.333 -8.042 1.00 0.00 C ATOM 1412 C ALA A 94 -23.632 1.898 -6.583 1.00 0.00 C ATOM 1413 O ALA A 94 -22.825 2.325 -5.757 1.00 0.00 O ATOM 1414 CB ALA A 94 -22.211 1.953 -8.640 1.00 0.00 C ATOM 0 H ALA A 94 -22.958 4.300 -8.449 1.00 0.00 H new ATOM 0 HA ALA A 94 -24.346 1.815 -8.588 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -22.056 0.879 -8.534 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -22.194 2.219 -9.697 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.417 2.488 -8.118 1.00 0.00 H new ATOM 1420 N GLN A 95 -24.605 1.048 -6.272 1.00 0.00 N ATOM 1421 CA GLN A 95 -24.785 0.558 -4.910 1.00 0.00 C ATOM 1422 C GLN A 95 -23.586 -0.275 -4.469 1.00 0.00 C ATOM 1423 O GLN A 95 -23.164 -0.210 -3.315 1.00 0.00 O ATOM 1424 CB GLN A 95 -26.064 -0.275 -4.810 1.00 0.00 C ATOM 1425 CG GLN A 95 -26.048 -1.522 -5.679 1.00 0.00 C ATOM 1426 CD GLN A 95 -26.304 -1.218 -7.142 1.00 0.00 C ATOM 1427 OE1 GLN A 95 -25.390 -1.263 -7.966 1.00 0.00 O ATOM 1428 NE2 GLN A 95 -27.552 -0.907 -7.472 1.00 0.00 N ATOM 0 H GLN A 95 -25.281 0.684 -6.944 1.00 0.00 H new ATOM 0 HA GLN A 95 -24.869 1.420 -4.248 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -26.216 -0.568 -3.771 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -26.914 0.345 -5.094 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -25.082 -2.018 -5.579 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -26.804 -2.220 -5.319 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -28.278 -0.882 -6.756 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -27.785 -0.693 -8.442 1.00 0.00 H new ATOM 1437 N GLU A 96 -23.042 -1.058 -5.396 1.00 0.00 N ATOM 1438 CA GLU A 96 -21.892 -1.905 -5.102 1.00 0.00 C ATOM 1439 C GLU A 96 -20.866 -1.840 -6.229 1.00 0.00 C ATOM 1440 O GLU A 96 -21.046 -2.419 -7.300 1.00 0.00 O ATOM 1441 CB GLU A 96 -22.339 -3.352 -4.886 1.00 0.00 C ATOM 1442 CG GLU A 96 -21.430 -4.137 -3.954 1.00 0.00 C ATOM 1443 CD GLU A 96 -22.115 -5.351 -3.358 1.00 0.00 C ATOM 1444 OE1 GLU A 96 -22.054 -6.432 -3.981 1.00 0.00 O ATOM 1445 OE2 GLU A 96 -22.712 -5.222 -2.269 1.00 0.00 O ATOM 0 H GLU A 96 -23.379 -1.123 -6.356 1.00 0.00 H new ATOM 0 HA GLU A 96 -21.425 -1.536 -4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.351 -3.354 -4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -22.381 -3.858 -5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -20.543 -4.457 -4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -21.090 -3.485 -3.150 1.00 0.00 H new ATOM 1452 N PRO A 97 -19.762 -1.118 -5.983 1.00 0.00 N ATOM 1453 CA PRO A 97 -18.685 -0.960 -6.964 1.00 0.00 C ATOM 1454 C PRO A 97 -17.908 -2.253 -7.186 1.00 0.00 C ATOM 1455 O PRO A 97 -18.156 -3.259 -6.521 1.00 0.00 O ATOM 1456 CB PRO A 97 -17.783 0.104 -6.333 1.00 0.00 C ATOM 1457 CG PRO A 97 -18.038 -0.004 -4.869 1.00 0.00 C ATOM 1458 CD PRO A 97 -19.481 -0.401 -4.728 1.00 0.00 C ATOM 0 HA PRO A 97 -19.067 -0.686 -7.947 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.734 -0.077 -6.567 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.025 1.100 -6.705 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -17.383 -0.746 -4.413 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -17.843 0.944 -4.368 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -19.639 -1.038 -3.857 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.127 0.469 -4.609 1.00 0.00 H new ATOM 1466 N ASP A 98 -16.967 -2.220 -8.123 1.00 0.00 N ATOM 1467 CA ASP A 98 -16.153 -3.389 -8.431 1.00 0.00 C ATOM 1468 C ASP A 98 -15.050 -3.572 -7.393 1.00 0.00 C ATOM 1469 O ASP A 98 -14.052 -2.851 -7.397 1.00 0.00 O ATOM 1470 CB ASP A 98 -15.540 -3.257 -9.826 1.00 0.00 C ATOM 1471 CG ASP A 98 -15.042 -4.583 -10.368 1.00 0.00 C ATOM 1472 OD1 ASP A 98 -14.245 -5.246 -9.672 1.00 0.00 O ATOM 1473 OD2 ASP A 98 -15.449 -4.957 -11.488 1.00 0.00 O ATOM 0 H ASP A 98 -16.749 -1.396 -8.683 1.00 0.00 H new ATOM 0 HA ASP A 98 -16.799 -4.267 -8.408 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -16.283 -2.845 -10.509 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.712 -2.549 -9.790 1.00 0.00 H new ATOM 1478 N LYS A 99 -15.237 -4.541 -6.504 1.00 0.00 N ATOM 1479 CA LYS A 99 -14.259 -4.820 -5.458 1.00 0.00 C ATOM 1480 C LYS A 99 -12.840 -4.574 -5.961 1.00 0.00 C ATOM 1481 O LYS A 99 -12.007 -4.013 -5.249 1.00 0.00 O ATOM 1482 CB LYS A 99 -14.397 -6.266 -4.976 1.00 0.00 C ATOM 1483 CG LYS A 99 -15.698 -6.541 -4.242 1.00 0.00 C ATOM 1484 CD LYS A 99 -15.769 -7.978 -3.753 1.00 0.00 C ATOM 1485 CE LYS A 99 -16.180 -8.927 -4.868 1.00 0.00 C ATOM 1486 NZ LYS A 99 -16.857 -10.144 -4.339 1.00 0.00 N ATOM 0 H LYS A 99 -16.057 -5.147 -6.486 1.00 0.00 H new ATOM 0 HA LYS A 99 -14.452 -4.145 -4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -14.325 -6.934 -5.834 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.561 -6.502 -4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -15.789 -5.862 -3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -16.540 -6.339 -4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.798 -8.277 -3.358 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -16.482 -8.049 -2.932 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -16.848 -8.410 -5.557 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.299 -9.221 -5.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -17.122 -10.766 -5.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -16.211 -10.651 -3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -17.712 -9.866 -3.816 1.00 0.00 H new ATOM 1500 N LEU A 100 -12.572 -4.995 -7.192 1.00 0.00 N ATOM 1501 CA LEU A 100 -11.254 -4.819 -7.791 1.00 0.00 C ATOM 1502 C LEU A 100 -10.959 -3.342 -8.033 1.00 0.00 C ATOM 1503 O LEU A 100 -10.060 -2.769 -7.417 1.00 0.00 O ATOM 1504 CB LEU A 100 -11.163 -5.591 -9.109 1.00 0.00 C ATOM 1505 CG LEU A 100 -9.863 -5.423 -9.897 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -8.700 -5.151 -8.956 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -9.589 -6.659 -10.742 1.00 0.00 C ATOM 0 H LEU A 100 -13.250 -5.461 -7.795 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.511 -5.210 -7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.301 -6.651 -8.896 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.993 -5.283 -9.745 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.972 -4.568 -10.564 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.784 -5.034 -9.534 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.893 -4.237 -8.394 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.589 -5.986 -8.264 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.660 -6.522 -11.296 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.500 -7.531 -10.094 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.410 -6.810 -11.442 1.00 0.00 H new ATOM 1519 N SER A 101 -11.723 -2.730 -8.932 1.00 0.00 N ATOM 1520 CA SER A 101 -11.543 -1.320 -9.257 1.00 0.00 C ATOM 1521 C SER A 101 -11.175 -0.519 -8.011 1.00 0.00 C ATOM 1522 O SER A 101 -10.263 0.307 -8.039 1.00 0.00 O ATOM 1523 CB SER A 101 -12.817 -0.752 -9.884 1.00 0.00 C ATOM 1524 OG SER A 101 -12.646 0.608 -10.243 1.00 0.00 O ATOM 0 H SER A 101 -12.473 -3.189 -9.449 1.00 0.00 H new ATOM 0 HA SER A 101 -10.727 -1.239 -9.975 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.082 -1.334 -10.767 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.645 -0.844 -9.181 1.00 0.00 H new ATOM 0 HG SER A 101 -13.474 0.947 -10.643 1.00 0.00 H new ATOM 1530 N MET A 102 -11.891 -0.770 -6.921 1.00 0.00 N ATOM 1531 CA MET A 102 -11.640 -0.074 -5.664 1.00 0.00 C ATOM 1532 C MET A 102 -10.233 -0.367 -5.152 1.00 0.00 C ATOM 1533 O MET A 102 -9.443 0.548 -4.921 1.00 0.00 O ATOM 1534 CB MET A 102 -12.674 -0.484 -4.614 1.00 0.00 C ATOM 1535 CG MET A 102 -13.931 0.371 -4.632 1.00 0.00 C ATOM 1536 SD MET A 102 -13.803 1.816 -3.561 1.00 0.00 S ATOM 1537 CE MET A 102 -12.553 2.766 -4.422 1.00 0.00 C ATOM 0 H MET A 102 -12.650 -1.450 -6.882 1.00 0.00 H new ATOM 0 HA MET A 102 -11.725 0.997 -5.847 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.951 -1.526 -4.776 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.219 -0.425 -3.625 1.00 0.00 H new ATOM 0 HG2 MET A 102 -14.130 0.697 -5.653 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.782 -0.234 -4.319 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.538 3.784 -4.034 1.00 0.00 H new ATOM 0 HE2 MET A 102 -11.577 2.305 -4.270 1.00 0.00 H new ATOM 0 HE3 MET A 102 -12.782 2.787 -5.487 1.00 0.00 H new ATOM 1547 N VAL A 103 -9.927 -1.649 -4.976 1.00 0.00 N ATOM 1548 CA VAL A 103 -8.616 -2.062 -4.492 1.00 0.00 C ATOM 1549 C VAL A 103 -7.503 -1.487 -5.362 1.00 0.00 C ATOM 1550 O VAL A 103 -6.677 -0.705 -4.893 1.00 0.00 O ATOM 1551 CB VAL A 103 -8.487 -3.596 -4.460 1.00 0.00 C ATOM 1552 CG1 VAL A 103 -7.070 -4.006 -4.090 1.00 0.00 C ATOM 1553 CG2 VAL A 103 -9.494 -4.195 -3.490 1.00 0.00 C ATOM 0 H VAL A 103 -10.570 -2.419 -5.162 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.517 -1.676 -3.478 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.702 -3.982 -5.456 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -6.999 -5.094 -4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.372 -3.608 -4.827 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -6.822 -3.610 -3.105 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.389 -5.280 -3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.312 -3.804 -2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.504 -3.931 -3.805 1.00 0.00 H new ATOM 1563 N MET A 104 -7.488 -1.881 -6.631 1.00 0.00 N ATOM 1564 CA MET A 104 -6.477 -1.404 -7.567 1.00 0.00 C ATOM 1565 C MET A 104 -6.216 0.086 -7.372 1.00 0.00 C ATOM 1566 O MET A 104 -5.120 0.576 -7.647 1.00 0.00 O ATOM 1567 CB MET A 104 -6.918 -1.672 -9.007 1.00 0.00 C ATOM 1568 CG MET A 104 -8.149 -0.884 -9.423 1.00 0.00 C ATOM 1569 SD MET A 104 -8.402 -0.882 -11.208 1.00 0.00 S ATOM 1570 CE MET A 104 -8.729 -2.618 -11.506 1.00 0.00 C ATOM 0 H MET A 104 -8.164 -2.529 -7.035 1.00 0.00 H new ATOM 0 HA MET A 104 -5.552 -1.946 -7.371 1.00 0.00 H new ATOM 0 HB2 MET A 104 -6.096 -1.429 -9.681 1.00 0.00 H new ATOM 0 HB3 MET A 104 -7.122 -2.736 -9.124 1.00 0.00 H new ATOM 0 HG2 MET A 104 -9.028 -1.307 -8.936 1.00 0.00 H new ATOM 0 HG3 MET A 104 -8.053 0.144 -9.072 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.471 -2.865 -12.536 1.00 0.00 H new ATOM 0 HE2 MET A 104 -8.129 -3.223 -10.826 1.00 0.00 H new ATOM 0 HE3 MET A 104 -9.786 -2.823 -11.337 1.00 0.00 H new ATOM 1580 N TYR A 105 -7.229 0.802 -6.897 1.00 0.00 N ATOM 1581 CA TYR A 105 -7.110 2.237 -6.668 1.00 0.00 C ATOM 1582 C TYR A 105 -6.436 2.521 -5.329 1.00 0.00 C ATOM 1583 O TYR A 105 -5.414 3.206 -5.267 1.00 0.00 O ATOM 1584 CB TYR A 105 -8.489 2.898 -6.708 1.00 0.00 C ATOM 1585 CG TYR A 105 -8.439 4.391 -6.940 1.00 0.00 C ATOM 1586 CD1 TYR A 105 -8.021 4.910 -8.159 1.00 0.00 C ATOM 1587 CD2 TYR A 105 -8.808 5.282 -5.941 1.00 0.00 C ATOM 1588 CE1 TYR A 105 -7.972 6.274 -8.376 1.00 0.00 C ATOM 1589 CE2 TYR A 105 -8.764 6.647 -6.149 1.00 0.00 C ATOM 1590 CZ TYR A 105 -8.346 7.138 -7.368 1.00 0.00 C ATOM 1591 OH TYR A 105 -8.299 8.497 -7.579 1.00 0.00 O ATOM 0 H TYR A 105 -8.142 0.412 -6.663 1.00 0.00 H new ATOM 0 HA TYR A 105 -6.491 2.655 -7.462 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.081 2.436 -7.498 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.004 2.702 -5.767 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -7.729 4.236 -8.951 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.135 4.901 -4.985 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.643 6.661 -9.329 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -9.055 7.326 -5.361 1.00 0.00 H new ATOM 0 HH TYR A 105 -8.596 8.964 -6.770 1.00 0.00 H new ATOM 1601 N LEU A 106 -7.015 1.990 -4.258 1.00 0.00 N ATOM 1602 CA LEU A 106 -6.472 2.184 -2.918 1.00 0.00 C ATOM 1603 C LEU A 106 -4.998 1.794 -2.866 1.00 0.00 C ATOM 1604 O LEU A 106 -4.177 2.507 -2.290 1.00 0.00 O ATOM 1605 CB LEU A 106 -7.265 1.362 -1.901 1.00 0.00 C ATOM 1606 CG LEU A 106 -8.755 1.687 -1.791 1.00 0.00 C ATOM 1607 CD1 LEU A 106 -9.511 0.523 -1.170 1.00 0.00 C ATOM 1608 CD2 LEU A 106 -8.966 2.956 -0.978 1.00 0.00 C ATOM 0 H LEU A 106 -7.861 1.421 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.558 3.241 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.162 0.307 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.810 1.499 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.145 1.853 -2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.570 0.773 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.388 -0.364 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.118 0.325 -0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.032 3.172 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.559 2.818 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.458 3.788 -1.464 1.00 0.00 H new ATOM 1620 N SER A 107 -4.670 0.658 -3.474 1.00 0.00 N ATOM 1621 CA SER A 107 -3.296 0.172 -3.496 1.00 0.00 C ATOM 1622 C SER A 107 -2.316 1.323 -3.702 1.00 0.00 C ATOM 1623 O SER A 107 -1.345 1.469 -2.958 1.00 0.00 O ATOM 1624 CB SER A 107 -3.118 -0.868 -4.604 1.00 0.00 C ATOM 1625 OG SER A 107 -3.490 -2.160 -4.155 1.00 0.00 O ATOM 0 H SER A 107 -5.338 0.057 -3.958 1.00 0.00 H new ATOM 0 HA SER A 107 -3.086 -0.294 -2.533 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.723 -0.591 -5.467 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.079 -0.879 -4.933 1.00 0.00 H new ATOM 0 HG SER A 107 -3.369 -2.806 -4.882 1.00 0.00 H new ATOM 1631 N LYS A 108 -2.577 2.140 -4.717 1.00 0.00 N ATOM 1632 CA LYS A 108 -1.721 3.280 -5.022 1.00 0.00 C ATOM 1633 C LYS A 108 -1.469 4.121 -3.775 1.00 0.00 C ATOM 1634 O LYS A 108 -0.331 4.489 -3.481 1.00 0.00 O ATOM 1635 CB LYS A 108 -2.357 4.145 -6.113 1.00 0.00 C ATOM 1636 CG LYS A 108 -2.480 3.440 -7.453 1.00 0.00 C ATOM 1637 CD LYS A 108 -2.397 4.423 -8.609 1.00 0.00 C ATOM 1638 CE LYS A 108 -0.962 4.616 -9.074 1.00 0.00 C ATOM 1639 NZ LYS A 108 -0.897 5.180 -10.451 1.00 0.00 N ATOM 0 H LYS A 108 -3.375 2.033 -5.343 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.765 2.898 -5.381 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.348 4.459 -5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.762 5.049 -6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.688 2.697 -7.548 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.428 2.904 -7.497 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.004 4.062 -9.439 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.814 5.383 -8.303 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.443 5.281 -8.384 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.440 3.660 -9.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.098 5.297 -10.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.370 4.533 -11.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.373 6.105 -10.470 1.00 0.00 H new ATOM 1653 N PHE A 109 -2.537 4.420 -3.043 1.00 0.00 N ATOM 1654 CA PHE A 109 -2.431 5.217 -1.826 1.00 0.00 C ATOM 1655 C PHE A 109 -1.699 4.445 -0.732 1.00 0.00 C ATOM 1656 O PHE A 109 -0.692 4.910 -0.197 1.00 0.00 O ATOM 1657 CB PHE A 109 -3.822 5.624 -1.335 1.00 0.00 C ATOM 1658 CG PHE A 109 -4.558 6.517 -2.293 1.00 0.00 C ATOM 1659 CD1 PHE A 109 -4.003 7.717 -2.707 1.00 0.00 C ATOM 1660 CD2 PHE A 109 -5.805 6.156 -2.778 1.00 0.00 C ATOM 1661 CE1 PHE A 109 -4.678 8.541 -3.589 1.00 0.00 C ATOM 1662 CE2 PHE A 109 -6.484 6.976 -3.660 1.00 0.00 C ATOM 1663 CZ PHE A 109 -5.920 8.170 -4.065 1.00 0.00 C ATOM 0 H PHE A 109 -3.486 4.123 -3.271 1.00 0.00 H new ATOM 0 HA PHE A 109 -1.858 6.115 -2.058 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -4.414 4.726 -1.160 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -3.726 6.134 -0.376 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -3.032 8.012 -2.337 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -6.251 5.224 -2.464 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -4.234 9.474 -3.905 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -7.455 6.683 -4.032 1.00 0.00 H new ATOM 0 HZ PHE A 109 -6.450 8.812 -4.753 1.00 0.00 H new ATOM 1673 N TYR A 110 -2.212 3.264 -0.405 1.00 0.00 N ATOM 1674 CA TYR A 110 -1.610 2.428 0.626 1.00 0.00 C ATOM 1675 C TYR A 110 -0.088 2.432 0.512 1.00 0.00 C ATOM 1676 O TYR A 110 0.615 2.763 1.466 1.00 0.00 O ATOM 1677 CB TYR A 110 -2.136 0.996 0.523 1.00 0.00 C ATOM 1678 CG TYR A 110 -1.307 -0.010 1.289 1.00 0.00 C ATOM 1679 CD1 TYR A 110 -1.261 0.012 2.678 1.00 0.00 C ATOM 1680 CD2 TYR A 110 -0.570 -0.982 0.625 1.00 0.00 C ATOM 1681 CE1 TYR A 110 -0.505 -0.905 3.382 1.00 0.00 C ATOM 1682 CE2 TYR A 110 0.188 -1.904 1.321 1.00 0.00 C ATOM 1683 CZ TYR A 110 0.217 -1.861 2.699 1.00 0.00 C ATOM 1684 OH TYR A 110 0.972 -2.777 3.396 1.00 0.00 O ATOM 0 H TYR A 110 -3.044 2.864 -0.839 1.00 0.00 H new ATOM 0 HA TYR A 110 -1.885 2.840 1.597 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -3.161 0.967 0.893 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -2.168 0.704 -0.527 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -1.826 0.759 3.216 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.590 -1.018 -0.454 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.479 -0.873 4.461 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.754 -2.654 0.789 1.00 0.00 H new ATOM 0 HH TYR A 110 1.417 -3.381 2.766 1.00 0.00 H new ATOM 1694 N GLU A 111 0.411 2.063 -0.664 1.00 0.00 N ATOM 1695 CA GLU A 111 1.849 2.024 -0.903 1.00 0.00 C ATOM 1696 C GLU A 111 2.439 3.431 -0.900 1.00 0.00 C ATOM 1697 O GLU A 111 3.472 3.682 -0.278 1.00 0.00 O ATOM 1698 CB GLU A 111 2.147 1.337 -2.238 1.00 0.00 C ATOM 1699 CG GLU A 111 1.841 -0.151 -2.238 1.00 0.00 C ATOM 1700 CD GLU A 111 2.597 -0.902 -3.317 1.00 0.00 C ATOM 1701 OE1 GLU A 111 2.332 -0.650 -4.511 1.00 0.00 O ATOM 1702 OE2 GLU A 111 3.453 -1.741 -2.967 1.00 0.00 O ATOM 0 H GLU A 111 -0.158 1.787 -1.464 1.00 0.00 H new ATOM 0 HA GLU A 111 2.311 1.453 -0.097 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.565 1.819 -3.023 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.198 1.483 -2.486 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.094 -0.570 -1.264 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.770 -0.298 -2.380 1.00 0.00 H new ATOM 1709 N LEU A 112 1.777 4.346 -1.600 1.00 0.00 N ATOM 1710 CA LEU A 112 2.236 5.729 -1.679 1.00 0.00 C ATOM 1711 C LEU A 112 2.622 6.254 -0.300 1.00 0.00 C ATOM 1712 O LEU A 112 3.744 6.718 -0.092 1.00 0.00 O ATOM 1713 CB LEU A 112 1.147 6.614 -2.288 1.00 0.00 C ATOM 1714 CG LEU A 112 1.450 8.112 -2.338 1.00 0.00 C ATOM 1715 CD1 LEU A 112 2.240 8.455 -3.591 1.00 0.00 C ATOM 1716 CD2 LEU A 112 0.161 8.919 -2.280 1.00 0.00 C ATOM 0 H LEU A 112 0.921 4.155 -2.121 1.00 0.00 H new ATOM 0 HA LEU A 112 3.118 5.757 -2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.952 6.269 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.228 6.468 -1.720 1.00 0.00 H new ATOM 0 HG LEU A 112 2.056 8.370 -1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.446 9.525 -3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.180 7.904 -3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.660 8.182 -4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.396 9.983 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.471 8.657 -3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.367 8.696 -1.353 1.00 0.00 H new ATOM 1728 N PHE A 113 1.687 6.176 0.641 1.00 0.00 N ATOM 1729 CA PHE A 113 1.929 6.642 2.001 1.00 0.00 C ATOM 1730 C PHE A 113 2.705 5.601 2.803 1.00 0.00 C ATOM 1731 O PHE A 113 3.715 5.914 3.434 1.00 0.00 O ATOM 1732 CB PHE A 113 0.604 6.956 2.699 1.00 0.00 C ATOM 1733 CG PHE A 113 -0.275 7.893 1.922 1.00 0.00 C ATOM 1734 CD1 PHE A 113 0.170 9.161 1.583 1.00 0.00 C ATOM 1735 CD2 PHE A 113 -1.547 7.507 1.531 1.00 0.00 C ATOM 1736 CE1 PHE A 113 -0.638 10.025 0.869 1.00 0.00 C ATOM 1737 CE2 PHE A 113 -2.359 8.367 0.816 1.00 0.00 C ATOM 1738 CZ PHE A 113 -1.903 9.628 0.484 1.00 0.00 C ATOM 0 H PHE A 113 0.754 5.794 0.486 1.00 0.00 H new ATOM 0 HA PHE A 113 2.527 7.552 1.945 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.065 6.025 2.873 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.812 7.392 3.676 1.00 0.00 H new ATOM 0 HD1 PHE A 113 1.159 9.477 1.880 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.908 6.522 1.788 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -0.280 11.011 0.612 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -3.348 8.054 0.517 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.535 10.302 -0.076 1.00 0.00 H new ATOM 1748 N ARG A 114 2.225 4.362 2.773 1.00 0.00 N ATOM 1749 CA ARG A 114 2.872 3.275 3.498 1.00 0.00 C ATOM 1750 C ARG A 114 3.990 2.656 2.665 1.00 0.00 C ATOM 1751 O ARG A 114 3.749 2.117 1.585 1.00 0.00 O ATOM 1752 CB ARG A 114 1.847 2.202 3.872 1.00 0.00 C ATOM 1753 CG ARG A 114 2.270 1.341 5.051 1.00 0.00 C ATOM 1754 CD ARG A 114 3.181 0.205 4.611 1.00 0.00 C ATOM 1755 NE ARG A 114 4.045 -0.254 5.696 1.00 0.00 N ATOM 1756 CZ ARG A 114 3.659 -1.120 6.627 1.00 0.00 C ATOM 1757 NH1 ARG A 114 2.430 -1.617 6.606 1.00 0.00 N ATOM 1758 NH2 ARG A 114 4.503 -1.489 7.582 1.00 0.00 N ATOM 0 H ARG A 114 1.391 4.086 2.255 1.00 0.00 H new ATOM 0 HA ARG A 114 3.306 3.687 4.409 1.00 0.00 H new ATOM 0 HB2 ARG A 114 0.898 2.684 4.107 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.673 1.560 3.008 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.785 1.958 5.787 1.00 0.00 H new ATOM 0 HG3 ARG A 114 1.386 0.932 5.540 1.00 0.00 H new ATOM 0 HD2 ARG A 114 2.575 -0.627 4.253 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.795 0.536 3.774 1.00 0.00 H new ATOM 0 HE ARG A 114 4.997 0.110 5.741 1.00 0.00 H new ATOM 0 HH11 ARG A 114 1.778 -1.335 5.874 1.00 0.00 H new ATOM 0 HH12 ARG A 114 2.136 -2.282 7.322 1.00 0.00 H new ATOM 0 HH21 ARG A 114 5.449 -1.108 7.602 1.00 0.00 H new ATOM 0 HH22 ARG A 114 4.206 -2.154 8.296 1.00 0.00 H new