USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 813 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 13 THR OG1 : rot 180:sc= 0.849 USER MOD Set 1.2: A 15 SER OG : rot 180:sc= 0.0731 USER MOD Set 1.3: A 16 THR OG1 : rot 53:sc= 0.995 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.897 X(o=-0.9,f=-0.55) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 83:sc= 1.01 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 40 LYS NZ :NH3+ -118:sc= 2.25 (180deg=-1.69!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -163:sc= 0.921 (180deg=0.0721) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc=0.000699 USER MOD Single : A 55 TYR OH : rot -15:sc= 1.29 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.0414 X(o=-0.041,f=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -0.0022 K(o=-0.0022,f=-0.95) USER MOD Single : A 69 THR OG1 : rot -18:sc= 0.133 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 150:sc= -0.0734 USER MOD Single : A 75 CYS SG : rot 180:sc= -0.204 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 130:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0692 X(o=-0.069,f=0) USER MOD Single : A 86 CYS SG : rot -160:sc= -0.0762 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.023 X(o=-0.023,f=-0.41) USER MOD Single : A 105 THR OG1 : rot 75:sc= 0.162 USER MOD ----------------------------------------------------------------- ATOM 152 N THR A 13 12.949 4.740 4.238 1.00 0.00 N ATOM 153 CA THR A 13 13.525 3.415 4.225 1.00 0.00 C ATOM 154 C THR A 13 12.391 2.400 4.080 1.00 0.00 C ATOM 155 O THR A 13 11.271 2.667 4.517 1.00 0.00 O ATOM 156 CB THR A 13 14.301 3.213 5.533 1.00 0.00 C ATOM 157 OG1 THR A 13 13.533 3.696 6.620 1.00 0.00 O ATOM 158 CG2 THR A 13 15.627 3.973 5.463 1.00 0.00 C ATOM 0 HA THR A 13 14.215 3.283 3.392 1.00 0.00 H new ATOM 0 HB THR A 13 14.500 2.151 5.676 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.029 3.565 7.455 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.178 3.829 6.392 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.219 3.597 4.628 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.430 5.035 5.318 1.00 0.00 H new ATOM 166 N PRO A 14 12.667 1.210 3.545 1.00 0.00 N ATOM 167 CA PRO A 14 11.669 0.160 3.450 1.00 0.00 C ATOM 168 C PRO A 14 11.240 -0.314 4.846 1.00 0.00 C ATOM 169 O PRO A 14 10.095 -0.714 5.027 1.00 0.00 O ATOM 170 CB PRO A 14 12.304 -0.939 2.600 1.00 0.00 C ATOM 171 CG PRO A 14 13.808 -0.633 2.570 1.00 0.00 C ATOM 172 CD PRO A 14 13.956 0.816 3.020 1.00 0.00 C ATOM 0 HA PRO A 14 10.746 0.502 2.981 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.114 -1.923 3.029 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.886 -0.944 1.593 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.355 -1.304 3.232 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.214 -0.773 1.568 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.731 0.910 3.781 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.248 1.454 2.186 1.00 0.00 H new ATOM 180 N SER A 15 12.114 -0.202 5.848 1.00 0.00 N ATOM 181 CA SER A 15 11.848 -0.469 7.255 1.00 0.00 C ATOM 182 C SER A 15 11.030 0.630 7.954 1.00 0.00 C ATOM 183 O SER A 15 10.679 0.476 9.128 1.00 0.00 O ATOM 184 CB SER A 15 13.206 -0.649 7.947 1.00 0.00 C ATOM 185 OG SER A 15 14.149 0.318 7.496 1.00 0.00 O ATOM 0 H SER A 15 13.077 0.094 5.687 1.00 0.00 H new ATOM 0 HA SER A 15 11.233 -1.366 7.325 1.00 0.00 H new ATOM 0 HB2 SER A 15 13.081 -0.562 9.026 1.00 0.00 H new ATOM 0 HB3 SER A 15 13.587 -1.651 7.750 1.00 0.00 H new ATOM 0 HG SER A 15 15.004 0.180 7.955 1.00 0.00 H new ATOM 191 N THR A 16 10.726 1.747 7.286 1.00 0.00 N ATOM 192 CA THR A 16 9.772 2.713 7.806 1.00 0.00 C ATOM 193 C THR A 16 8.407 2.009 7.935 1.00 0.00 C ATOM 194 O THR A 16 8.061 1.140 7.138 1.00 0.00 O ATOM 195 CB THR A 16 9.754 3.934 6.869 1.00 0.00 C ATOM 196 OG1 THR A 16 10.971 4.659 6.927 1.00 0.00 O ATOM 197 CG2 THR A 16 8.676 4.942 7.221 1.00 0.00 C ATOM 0 H THR A 16 11.131 1.999 6.384 1.00 0.00 H new ATOM 0 HA THR A 16 10.042 3.081 8.796 1.00 0.00 H new ATOM 0 HB THR A 16 9.575 3.506 5.883 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.722 4.051 6.766 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.717 5.778 6.523 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.698 4.465 7.159 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.837 5.308 8.235 1.00 0.00 H new ATOM 205 N TYR A 17 7.617 2.372 8.944 1.00 0.00 N ATOM 206 CA TYR A 17 6.239 1.919 9.117 1.00 0.00 C ATOM 207 C TYR A 17 5.300 2.826 8.321 1.00 0.00 C ATOM 208 O TYR A 17 5.555 4.023 8.206 1.00 0.00 O ATOM 209 CB TYR A 17 5.900 2.023 10.607 1.00 0.00 C ATOM 210 CG TYR A 17 6.075 0.756 11.418 1.00 0.00 C ATOM 211 CD1 TYR A 17 7.211 -0.055 11.239 1.00 0.00 C ATOM 212 CD2 TYR A 17 5.112 0.407 12.386 1.00 0.00 C ATOM 213 CE1 TYR A 17 7.338 -1.248 11.968 1.00 0.00 C ATOM 214 CE2 TYR A 17 5.229 -0.784 13.116 1.00 0.00 C ATOM 215 CZ TYR A 17 6.329 -1.634 12.881 1.00 0.00 C ATOM 216 OH TYR A 17 6.406 -2.811 13.548 1.00 0.00 O ATOM 0 H TYR A 17 7.926 3.005 9.682 1.00 0.00 H new ATOM 0 HA TYR A 17 6.125 0.894 8.765 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.523 2.802 11.047 1.00 0.00 H new ATOM 0 HB3 TYR A 17 4.865 2.351 10.702 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.983 0.239 10.543 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.275 1.064 12.567 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.208 -1.873 11.831 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.484 -1.048 13.852 1.00 0.00 H new ATOM 0 HH TYR A 17 5.625 -2.907 14.133 1.00 0.00 H new ATOM 226 N ILE A 18 4.157 2.308 7.873 1.00 0.00 N ATOM 227 CA ILE A 18 3.136 3.107 7.199 1.00 0.00 C ATOM 228 C ILE A 18 2.658 4.212 8.146 1.00 0.00 C ATOM 229 O ILE A 18 2.566 5.372 7.746 1.00 0.00 O ATOM 230 CB ILE A 18 1.935 2.267 6.693 1.00 0.00 C ATOM 231 CG1 ILE A 18 2.207 0.773 6.423 1.00 0.00 C ATOM 232 CG2 ILE A 18 1.379 2.932 5.425 1.00 0.00 C ATOM 233 CD1 ILE A 18 3.027 0.532 5.165 1.00 0.00 C ATOM 0 H ILE A 18 3.913 1.322 7.967 1.00 0.00 H new ATOM 0 HA ILE A 18 3.594 3.540 6.310 1.00 0.00 H new ATOM 0 HB ILE A 18 1.218 2.260 7.514 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.731 0.345 7.278 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.256 0.247 6.336 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.532 2.355 5.053 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.053 3.946 5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.157 2.968 4.662 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.183 -0.539 5.032 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.495 0.931 4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.992 1.031 5.258 1.00 0.00 H new ATOM 245 N ARG A 19 2.416 3.893 9.426 1.00 0.00 N ATOM 246 CA ARG A 19 1.966 4.887 10.404 1.00 0.00 C ATOM 247 C ARG A 19 2.992 5.989 10.676 1.00 0.00 C ATOM 248 O ARG A 19 2.674 6.972 11.333 1.00 0.00 O ATOM 249 CB ARG A 19 1.549 4.211 11.718 1.00 0.00 C ATOM 250 CG ARG A 19 2.732 3.559 12.445 1.00 0.00 C ATOM 251 CD ARG A 19 2.375 3.202 13.883 1.00 0.00 C ATOM 252 NE ARG A 19 1.564 1.978 13.963 1.00 0.00 N ATOM 253 CZ ARG A 19 0.743 1.652 14.965 1.00 0.00 C ATOM 254 NH1 ARG A 19 0.352 2.551 15.862 1.00 0.00 N ATOM 255 NH2 ARG A 19 0.335 0.393 15.067 1.00 0.00 N ATOM 0 H ARG A 19 2.525 2.953 9.806 1.00 0.00 H new ATOM 0 HA ARG A 19 1.101 5.375 9.955 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.087 4.950 12.373 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.793 3.454 11.509 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.038 2.659 11.911 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.584 4.239 12.438 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.290 3.069 14.461 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.829 4.029 14.337 1.00 0.00 H new ATOM 0 HE ARG A 19 1.634 1.321 13.186 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.679 3.515 15.794 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.276 2.277 16.618 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.649 -0.301 14.389 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.292 0.120 15.824 1.00 0.00 H new ATOM 269 N ASN A 20 4.240 5.804 10.246 1.00 0.00 N ATOM 270 CA ASN A 20 5.290 6.794 10.426 1.00 0.00 C ATOM 271 C ASN A 20 5.231 7.838 9.305 1.00 0.00 C ATOM 272 O ASN A 20 5.820 8.906 9.456 1.00 0.00 O ATOM 273 CB ASN A 20 6.637 6.056 10.432 1.00 0.00 C ATOM 274 CG ASN A 20 7.811 6.848 10.991 1.00 0.00 C ATOM 275 OD1 ASN A 20 7.689 7.767 11.796 1.00 0.00 O ATOM 276 ND2 ASN A 20 9.017 6.412 10.676 1.00 0.00 N ATOM 0 H ASN A 20 4.547 4.960 9.763 1.00 0.00 H new ATOM 0 HA ASN A 20 5.161 7.326 11.369 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.528 5.140 11.013 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.874 5.759 9.410 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.841 6.838 11.101 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.125 5.649 10.008 1.00 0.00 H new ATOM 283 N LEU A 21 4.547 7.542 8.185 1.00 0.00 N ATOM 284 CA LEU A 21 4.555 8.401 7.007 1.00 0.00 C ATOM 285 C LEU A 21 3.754 9.673 7.257 1.00 0.00 C ATOM 286 O LEU A 21 2.609 9.590 7.710 1.00 0.00 O ATOM 287 CB LEU A 21 4.021 7.713 5.734 1.00 0.00 C ATOM 288 CG LEU A 21 4.734 6.441 5.228 1.00 0.00 C ATOM 289 CD1 LEU A 21 4.449 6.224 3.736 1.00 0.00 C ATOM 290 CD2 LEU A 21 6.241 6.589 5.384 1.00 0.00 C ATOM 0 H LEU A 21 3.978 6.702 8.080 1.00 0.00 H new ATOM 0 HA LEU A 21 5.604 8.641 6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.975 7.459 5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.041 8.447 4.928 1.00 0.00 H new ATOM 0 HG LEU A 21 4.364 5.599 5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.959 5.323 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.376 6.113 3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.810 7.082 3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.734 5.686 5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.584 7.446 4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.485 6.741 6.435 1.00 0.00 H new ATOM 302 N ASN A 22 4.331 10.832 6.915 1.00 0.00 N ATOM 303 CA ASN A 22 3.722 12.125 7.221 1.00 0.00 C ATOM 304 C ASN A 22 2.511 12.377 6.324 1.00 0.00 C ATOM 305 O ASN A 22 2.438 11.828 5.221 1.00 0.00 O ATOM 306 CB ASN A 22 4.741 13.278 7.099 1.00 0.00 C ATOM 307 CG ASN A 22 4.493 14.261 8.241 1.00 0.00 C ATOM 308 OD1 ASN A 22 4.940 14.054 9.360 1.00 0.00 O ATOM 309 ND2 ASN A 22 3.705 15.294 8.016 1.00 0.00 N ATOM 0 H ASN A 22 5.223 10.896 6.424 1.00 0.00 H new ATOM 0 HA ASN A 22 3.386 12.093 8.257 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.759 12.891 7.145 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.634 13.779 6.137 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.464 15.927 8.778 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.336 15.460 7.080 1.00 0.00 H new ATOM 316 N VAL A 23 1.593 13.267 6.716 1.00 0.00 N ATOM 317 CA VAL A 23 0.393 13.556 5.943 1.00 0.00 C ATOM 318 C VAL A 23 0.711 14.062 4.530 1.00 0.00 C ATOM 319 O VAL A 23 0.017 13.700 3.581 1.00 0.00 O ATOM 320 CB VAL A 23 -0.519 14.483 6.761 1.00 0.00 C ATOM 321 CG1 VAL A 23 0.049 15.885 6.996 1.00 0.00 C ATOM 322 CG2 VAL A 23 -1.890 14.595 6.100 1.00 0.00 C ATOM 0 H VAL A 23 1.667 13.805 7.580 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.157 12.632 5.764 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.599 14.016 7.743 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.660 16.471 7.581 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.992 15.809 7.538 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.220 16.374 6.037 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.526 15.255 6.690 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.777 15.003 5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.347 13.607 6.041 1.00 0.00 H new ATOM 332 N GLY A 24 1.797 14.820 4.350 1.00 0.00 N ATOM 333 CA GLY A 24 2.240 15.233 3.031 1.00 0.00 C ATOM 334 C GLY A 24 2.559 14.036 2.149 1.00 0.00 C ATOM 335 O GLY A 24 2.210 14.052 0.971 1.00 0.00 O ATOM 0 H GLY A 24 2.384 15.158 5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.466 15.838 2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.124 15.863 3.124 1.00 0.00 H new ATOM 339 N ILE A 25 3.196 13.001 2.699 1.00 0.00 N ATOM 340 CA ILE A 25 3.544 11.800 1.962 1.00 0.00 C ATOM 341 C ILE A 25 2.260 11.018 1.687 1.00 0.00 C ATOM 342 O ILE A 25 2.033 10.663 0.538 1.00 0.00 O ATOM 343 CB ILE A 25 4.614 10.990 2.715 1.00 0.00 C ATOM 344 CG1 ILE A 25 5.834 11.854 3.109 1.00 0.00 C ATOM 345 CG2 ILE A 25 5.086 9.798 1.868 1.00 0.00 C ATOM 346 CD1 ILE A 25 6.350 12.885 2.102 1.00 0.00 C ATOM 0 H ILE A 25 3.484 12.979 3.677 1.00 0.00 H new ATOM 0 HA ILE A 25 3.996 12.048 1.002 1.00 0.00 H new ATOM 0 HB ILE A 25 4.146 10.629 3.631 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.583 12.384 4.028 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.657 11.179 3.345 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.842 9.238 2.418 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.239 9.147 1.651 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.512 10.162 0.933 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.207 13.409 2.525 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.651 12.379 1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.560 13.602 1.878 1.00 0.00 H new ATOM 358 N LEU A 26 1.389 10.820 2.687 1.00 0.00 N ATOM 359 CA LEU A 26 0.065 10.205 2.538 1.00 0.00 C ATOM 360 C LEU A 26 -0.684 10.810 1.348 1.00 0.00 C ATOM 361 O LEU A 26 -1.220 10.086 0.509 1.00 0.00 O ATOM 362 CB LEU A 26 -0.763 10.414 3.826 1.00 0.00 C ATOM 363 CG LEU A 26 -0.612 9.336 4.913 1.00 0.00 C ATOM 364 CD1 LEU A 26 -1.104 9.864 6.268 1.00 0.00 C ATOM 365 CD2 LEU A 26 -1.455 8.114 4.551 1.00 0.00 C ATOM 0 H LEU A 26 1.593 11.092 3.649 1.00 0.00 H new ATOM 0 HA LEU A 26 0.203 9.138 2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.488 11.376 4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.816 10.477 3.550 1.00 0.00 H new ATOM 0 HG LEU A 26 0.443 9.070 4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.989 9.088 7.024 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.517 10.737 6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.155 10.142 6.190 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.344 7.354 5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.503 8.404 4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.120 7.711 3.595 1.00 0.00 H new ATOM 377 N ARG A 27 -0.738 12.139 1.260 1.00 0.00 N ATOM 378 CA ARG A 27 -1.445 12.851 0.198 1.00 0.00 C ATOM 379 C ARG A 27 -0.725 12.757 -1.147 1.00 0.00 C ATOM 380 O ARG A 27 -1.395 12.650 -2.175 1.00 0.00 O ATOM 381 CB ARG A 27 -1.635 14.310 0.628 1.00 0.00 C ATOM 382 CG ARG A 27 -2.659 14.475 1.767 1.00 0.00 C ATOM 383 CD ARG A 27 -4.116 14.261 1.328 1.00 0.00 C ATOM 384 NE ARG A 27 -4.531 15.192 0.265 1.00 0.00 N ATOM 385 CZ ARG A 27 -4.738 16.508 0.403 1.00 0.00 C ATOM 386 NH1 ARG A 27 -4.709 17.087 1.601 1.00 0.00 N ATOM 387 NH2 ARG A 27 -4.969 17.259 -0.667 1.00 0.00 N ATOM 0 H ARG A 27 -0.286 12.758 1.933 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.417 12.380 0.049 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.676 14.716 0.948 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.959 14.897 -0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.421 13.768 2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.560 15.475 2.190 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.239 13.237 0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.773 14.383 2.189 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.674 14.797 -0.664 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.527 16.527 2.434 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.869 18.091 1.686 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.989 16.834 -1.594 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.127 18.261 -0.562 1.00 0.00 H new ATOM 401 N LYS A 28 0.610 12.762 -1.178 1.00 0.00 N ATOM 402 CA LYS A 28 1.361 12.534 -2.414 1.00 0.00 C ATOM 403 C LYS A 28 1.106 11.148 -2.963 1.00 0.00 C ATOM 404 O LYS A 28 0.817 10.994 -4.144 1.00 0.00 O ATOM 405 CB LYS A 28 2.852 12.754 -2.198 1.00 0.00 C ATOM 406 CG LYS A 28 3.182 14.241 -2.130 1.00 0.00 C ATOM 407 CD LYS A 28 2.882 15.073 -3.382 1.00 0.00 C ATOM 408 CE LYS A 28 3.739 14.692 -4.592 1.00 0.00 C ATOM 409 NZ LYS A 28 4.730 15.735 -4.907 1.00 0.00 N ATOM 0 H LYS A 28 1.194 12.922 -0.358 1.00 0.00 H new ATOM 0 HA LYS A 28 1.010 13.260 -3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.165 12.266 -1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.413 12.290 -3.010 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.631 14.673 -1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.242 14.344 -1.900 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.830 14.957 -3.642 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.039 16.127 -3.154 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.252 13.751 -4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.096 14.528 -5.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.292 15.442 -5.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.239 16.627 -5.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.359 15.874 -4.091 1.00 0.00 H new ATOM 423 N LEU A 29 1.199 10.151 -2.100 1.00 0.00 N ATOM 424 CA LEU A 29 0.824 8.770 -2.384 1.00 0.00 C ATOM 425 C LEU A 29 -0.600 8.717 -2.941 1.00 0.00 C ATOM 426 O LEU A 29 -0.830 8.165 -4.017 1.00 0.00 O ATOM 427 CB LEU A 29 0.992 7.934 -1.102 1.00 0.00 C ATOM 428 CG LEU A 29 2.358 7.232 -0.985 1.00 0.00 C ATOM 429 CD1 LEU A 29 2.428 6.014 -1.909 1.00 0.00 C ATOM 430 CD2 LEU A 29 3.562 8.143 -1.258 1.00 0.00 C ATOM 0 H LEU A 29 1.549 10.281 -1.151 1.00 0.00 H new ATOM 0 HA LEU A 29 1.475 8.345 -3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.853 8.583 -0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.204 7.182 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 29 2.427 6.923 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.402 5.536 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.646 5.305 -1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.286 6.332 -2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.483 7.569 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.495 8.542 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.565 8.966 -0.543 1.00 0.00 H new ATOM 442 N SER A 30 -1.543 9.376 -2.261 1.00 0.00 N ATOM 443 CA SER A 30 -2.921 9.507 -2.724 1.00 0.00 C ATOM 444 C SER A 30 -3.017 10.116 -4.124 1.00 0.00 C ATOM 445 O SER A 30 -3.938 9.766 -4.846 1.00 0.00 O ATOM 446 CB SER A 30 -3.766 10.302 -1.718 1.00 0.00 C ATOM 447 OG SER A 30 -3.698 9.756 -0.409 1.00 0.00 O ATOM 0 H SER A 30 -1.367 9.836 -1.368 1.00 0.00 H new ATOM 0 HA SER A 30 -3.326 8.497 -2.794 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.424 11.337 -1.696 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.804 10.317 -2.050 1.00 0.00 H new ATOM 0 HG SER A 30 -2.891 10.084 0.041 1.00 0.00 H new ATOM 453 N ASP A 31 -2.081 10.962 -4.556 1.00 0.00 N ATOM 454 CA ASP A 31 -2.139 11.598 -5.874 1.00 0.00 C ATOM 455 C ASP A 31 -2.045 10.594 -7.029 1.00 0.00 C ATOM 456 O ASP A 31 -2.482 10.907 -8.140 1.00 0.00 O ATOM 457 CB ASP A 31 -1.023 12.647 -5.994 1.00 0.00 C ATOM 458 CG ASP A 31 -1.428 13.816 -6.882 1.00 0.00 C ATOM 459 OD1 ASP A 31 -2.527 14.376 -6.647 1.00 0.00 O ATOM 460 OD2 ASP A 31 -0.598 14.282 -7.690 1.00 0.00 O ATOM 0 H ASP A 31 -1.264 11.225 -4.005 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.115 12.077 -5.955 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.767 13.018 -5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.127 12.177 -6.400 1.00 0.00 H new ATOM 465 N PHE A 32 -1.498 9.401 -6.757 1.00 0.00 N ATOM 466 CA PHE A 32 -1.362 8.296 -7.701 1.00 0.00 C ATOM 467 C PHE A 32 -2.340 7.147 -7.406 1.00 0.00 C ATOM 468 O PHE A 32 -2.685 6.406 -8.319 1.00 0.00 O ATOM 469 CB PHE A 32 0.087 7.772 -7.668 1.00 0.00 C ATOM 470 CG PHE A 32 1.200 8.781 -7.927 1.00 0.00 C ATOM 471 CD1 PHE A 32 1.077 9.756 -8.935 1.00 0.00 C ATOM 472 CD2 PHE A 32 2.402 8.708 -7.192 1.00 0.00 C ATOM 473 CE1 PHE A 32 2.138 10.640 -9.196 1.00 0.00 C ATOM 474 CE2 PHE A 32 3.474 9.572 -7.476 1.00 0.00 C ATOM 475 CZ PHE A 32 3.341 10.546 -8.479 1.00 0.00 C ATOM 0 H PHE A 32 -1.125 9.176 -5.835 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.605 8.677 -8.693 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.261 7.321 -6.691 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.175 6.975 -8.407 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.165 9.825 -9.509 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.500 7.979 -6.401 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.027 11.399 -9.956 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.398 9.487 -6.924 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.158 11.218 -8.697 1.00 0.00 H new ATOM 485 N ILE A 33 -2.753 6.953 -6.148 1.00 0.00 N ATOM 486 CA ILE A 33 -3.538 5.790 -5.705 1.00 0.00 C ATOM 487 C ILE A 33 -5.033 6.094 -5.552 1.00 0.00 C ATOM 488 O ILE A 33 -5.846 5.171 -5.535 1.00 0.00 O ATOM 489 CB ILE A 33 -2.860 5.243 -4.426 1.00 0.00 C ATOM 490 CG1 ILE A 33 -1.435 4.728 -4.755 1.00 0.00 C ATOM 491 CG2 ILE A 33 -3.581 4.127 -3.664 1.00 0.00 C ATOM 492 CD1 ILE A 33 -1.386 3.627 -5.828 1.00 0.00 C ATOM 0 H ILE A 33 -2.549 7.610 -5.395 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.534 5.013 -6.470 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.872 6.109 -3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.826 5.569 -5.087 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.980 4.347 -3.841 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.992 3.843 -2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.560 4.481 -3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.704 3.262 -4.316 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.351 3.327 -5.994 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.964 2.766 -5.492 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.808 4.007 -6.759 1.00 0.00 H new ATOM 504 N ASP A 34 -5.406 7.370 -5.421 1.00 0.00 N ATOM 505 CA ASP A 34 -6.791 7.831 -5.519 1.00 0.00 C ATOM 506 C ASP A 34 -7.398 7.472 -6.890 1.00 0.00 C ATOM 507 O ASP A 34 -8.456 6.826 -6.895 1.00 0.00 O ATOM 508 CB ASP A 34 -6.861 9.333 -5.194 1.00 0.00 C ATOM 509 CG ASP A 34 -8.276 9.890 -5.088 1.00 0.00 C ATOM 510 OD1 ASP A 34 -9.095 9.676 -6.008 1.00 0.00 O ATOM 511 OD2 ASP A 34 -8.572 10.513 -4.042 1.00 0.00 O ATOM 0 H ASP A 34 -4.742 8.123 -5.241 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.404 7.314 -4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.341 9.513 -4.253 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.324 9.884 -5.965 1.00 0.00 H new ATOM 516 N PRO A 35 -6.759 7.816 -8.034 1.00 0.00 N ATOM 517 CA PRO A 35 -7.214 7.374 -9.348 1.00 0.00 C ATOM 518 C PRO A 35 -6.950 5.876 -9.559 1.00 0.00 C ATOM 519 O PRO A 35 -6.364 5.192 -8.718 1.00 0.00 O ATOM 520 CB PRO A 35 -6.435 8.242 -10.348 1.00 0.00 C ATOM 521 CG PRO A 35 -5.102 8.452 -9.647 1.00 0.00 C ATOM 522 CD PRO A 35 -5.554 8.636 -8.201 1.00 0.00 C ATOM 0 HA PRO A 35 -8.291 7.491 -9.470 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.312 7.741 -11.308 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.942 9.187 -10.544 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.436 7.597 -9.764 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.570 9.325 -10.026 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.773 8.324 -7.508 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.766 9.684 -7.991 1.00 0.00 H new ATOM 530 N GLN A 36 -7.367 5.369 -10.724 1.00 0.00 N ATOM 531 CA GLN A 36 -7.039 4.047 -11.263 1.00 0.00 C ATOM 532 C GLN A 36 -7.476 2.881 -10.361 1.00 0.00 C ATOM 533 O GLN A 36 -7.076 1.740 -10.600 1.00 0.00 O ATOM 534 CB GLN A 36 -5.543 4.005 -11.637 1.00 0.00 C ATOM 535 CG GLN A 36 -5.184 5.017 -12.740 1.00 0.00 C ATOM 536 CD GLN A 36 -3.720 5.453 -12.676 1.00 0.00 C ATOM 537 OE1 GLN A 36 -2.804 4.655 -12.490 1.00 0.00 O ATOM 538 NE2 GLN A 36 -3.463 6.738 -12.848 1.00 0.00 N ATOM 0 H GLN A 36 -7.975 5.899 -11.349 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.626 3.898 -12.169 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.944 4.211 -10.750 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.283 3.001 -11.971 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.386 4.574 -13.715 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.826 5.893 -12.648 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.228 7.395 -13.002 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.500 7.073 -12.827 1.00 0.00 H new ATOM 547 N GLU A 37 -8.306 3.142 -9.343 1.00 0.00 N ATOM 548 CA GLU A 37 -8.631 2.217 -8.259 1.00 0.00 C ATOM 549 C GLU A 37 -7.368 1.662 -7.588 1.00 0.00 C ATOM 550 O GLU A 37 -7.385 0.577 -7.007 1.00 0.00 O ATOM 551 CB GLU A 37 -9.642 1.150 -8.734 1.00 0.00 C ATOM 552 CG GLU A 37 -11.048 1.749 -8.664 1.00 0.00 C ATOM 553 CD GLU A 37 -12.182 0.800 -9.075 1.00 0.00 C ATOM 554 OE1 GLU A 37 -11.985 -0.427 -9.232 1.00 0.00 O ATOM 555 OE2 GLU A 37 -13.346 1.266 -9.089 1.00 0.00 O ATOM 0 H GLU A 37 -8.785 4.038 -9.252 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.139 2.762 -7.464 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.413 0.838 -9.753 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.577 0.261 -8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.231 2.088 -7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.083 2.630 -9.304 1.00 0.00 H new ATOM 562 N GLY A 38 -6.272 2.425 -7.619 1.00 0.00 N ATOM 563 CA GLY A 38 -4.999 2.046 -7.021 1.00 0.00 C ATOM 564 C GLY A 38 -5.169 1.639 -5.557 1.00 0.00 C ATOM 565 O GLY A 38 -4.553 0.672 -5.102 1.00 0.00 O ATOM 0 H GLY A 38 -6.249 3.340 -8.070 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.564 1.219 -7.582 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.301 2.880 -7.090 1.00 0.00 H new ATOM 569 N TRP A 39 -6.023 2.347 -4.812 1.00 0.00 N ATOM 570 CA TRP A 39 -6.322 2.041 -3.426 1.00 0.00 C ATOM 571 C TRP A 39 -6.999 0.678 -3.300 1.00 0.00 C ATOM 572 O TRP A 39 -6.569 -0.130 -2.483 1.00 0.00 O ATOM 573 CB TRP A 39 -7.188 3.146 -2.819 1.00 0.00 C ATOM 574 CG TRP A 39 -8.550 3.315 -3.413 1.00 0.00 C ATOM 575 CD1 TRP A 39 -8.866 4.068 -4.492 1.00 0.00 C ATOM 576 CD2 TRP A 39 -9.785 2.667 -2.995 1.00 0.00 C ATOM 577 NE1 TRP A 39 -10.207 3.923 -4.779 1.00 0.00 N ATOM 578 CE2 TRP A 39 -10.825 3.085 -3.872 1.00 0.00 C ATOM 579 CE3 TRP A 39 -10.107 1.698 -2.016 1.00 0.00 C ATOM 580 CZ2 TRP A 39 -12.126 2.584 -3.754 1.00 0.00 C ATOM 581 CZ3 TRP A 39 -11.409 1.176 -1.912 1.00 0.00 C ATOM 582 CH2 TRP A 39 -12.432 1.663 -2.738 1.00 0.00 C ATOM 0 H TRP A 39 -6.529 3.158 -5.167 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.385 1.993 -2.871 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -7.301 2.947 -1.753 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.653 4.091 -2.912 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -8.174 4.687 -5.044 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -10.681 4.376 -5.560 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -9.341 1.353 -1.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -12.894 2.905 -4.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -11.621 0.398 -1.194 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -13.450 1.332 -2.594 1.00 0.00 H new ATOM 593 N LYS A 40 -8.029 0.391 -4.109 1.00 0.00 N ATOM 594 CA LYS A 40 -8.697 -0.912 -4.116 1.00 0.00 C ATOM 595 C LYS A 40 -7.678 -1.991 -4.398 1.00 0.00 C ATOM 596 O LYS A 40 -7.695 -3.034 -3.750 1.00 0.00 O ATOM 597 CB LYS A 40 -9.802 -0.985 -5.187 1.00 0.00 C ATOM 598 CG LYS A 40 -11.127 -0.476 -4.678 1.00 0.00 C ATOM 599 CD LYS A 40 -12.317 -0.855 -5.560 1.00 0.00 C ATOM 600 CE LYS A 40 -13.252 0.344 -5.710 1.00 0.00 C ATOM 601 NZ LYS A 40 -14.249 0.170 -6.776 1.00 0.00 N ATOM 0 H LYS A 40 -8.420 1.057 -4.775 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.158 -1.055 -3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.501 -0.401 -6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.915 -2.017 -5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.293 -0.866 -3.674 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.080 0.610 -4.595 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.967 -1.179 -6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.855 -1.695 -5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.766 0.516 -4.765 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.659 1.235 -5.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.110 0.900 -7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -14.138 -0.771 -7.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -15.205 0.258 -6.375 1.00 0.00 H new ATOM 615 N LYS A 41 -6.789 -1.722 -5.347 1.00 0.00 N ATOM 616 CA LYS A 41 -5.824 -2.673 -5.839 1.00 0.00 C ATOM 617 C LYS A 41 -4.871 -3.024 -4.713 1.00 0.00 C ATOM 618 O LYS A 41 -4.650 -4.206 -4.468 1.00 0.00 O ATOM 619 CB LYS A 41 -5.135 -2.104 -7.076 1.00 0.00 C ATOM 620 CG LYS A 41 -6.069 -2.211 -8.282 1.00 0.00 C ATOM 621 CD LYS A 41 -5.603 -1.253 -9.378 1.00 0.00 C ATOM 622 CE LYS A 41 -6.388 -1.507 -10.667 1.00 0.00 C ATOM 623 NZ LYS A 41 -5.572 -1.309 -11.881 1.00 0.00 N ATOM 0 H LYS A 41 -6.725 -0.811 -5.801 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.300 -3.601 -6.156 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.863 -1.062 -6.906 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.210 -2.647 -7.271 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.077 -3.234 -8.659 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.090 -1.972 -7.986 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.744 -0.222 -9.054 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.537 -1.387 -9.560 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.775 -2.526 -10.657 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.249 -0.839 -10.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.153 -1.494 -12.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.223 -0.330 -11.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.764 -1.964 -11.867 1.00 0.00 H new ATOM 637 N LEU A 42 -4.324 -2.032 -4.008 1.00 0.00 N ATOM 638 CA LEU A 42 -3.470 -2.243 -2.862 1.00 0.00 C ATOM 639 C LEU A 42 -4.235 -2.932 -1.731 1.00 0.00 C ATOM 640 O LEU A 42 -3.737 -3.903 -1.177 1.00 0.00 O ATOM 641 CB LEU A 42 -2.918 -0.868 -2.478 1.00 0.00 C ATOM 642 CG LEU A 42 -1.796 -0.837 -1.436 1.00 0.00 C ATOM 643 CD1 LEU A 42 -2.297 -0.432 -0.054 1.00 0.00 C ATOM 644 CD2 LEU A 42 -0.882 -2.058 -1.387 1.00 0.00 C ATOM 0 H LEU A 42 -4.471 -1.047 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.642 -2.916 -3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.553 -0.384 -3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.744 -0.263 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.139 -0.048 -1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.463 -0.425 0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.737 0.564 -0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.050 -1.145 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.129 -1.918 -0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.473 -2.946 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.390 -2.183 -2.352 1.00 0.00 H new ATOM 656 N ALA A 43 -5.452 -2.485 -1.414 1.00 0.00 N ATOM 657 CA ALA A 43 -6.276 -3.065 -0.362 1.00 0.00 C ATOM 658 C ALA A 43 -6.467 -4.566 -0.575 1.00 0.00 C ATOM 659 O ALA A 43 -6.195 -5.352 0.328 1.00 0.00 O ATOM 660 CB ALA A 43 -7.624 -2.341 -0.288 1.00 0.00 C ATOM 0 H ALA A 43 -5.895 -1.699 -1.890 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.762 -2.934 0.590 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.232 -2.783 0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.459 -1.286 -0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.142 -2.438 -1.242 1.00 0.00 H new ATOM 666 N VAL A 44 -6.925 -4.982 -1.755 1.00 0.00 N ATOM 667 CA VAL A 44 -7.167 -6.360 -2.083 1.00 0.00 C ATOM 668 C VAL A 44 -5.856 -7.139 -2.272 1.00 0.00 C ATOM 669 O VAL A 44 -5.852 -8.365 -2.142 1.00 0.00 O ATOM 670 CB VAL A 44 -8.108 -6.325 -3.304 1.00 0.00 C ATOM 671 CG1 VAL A 44 -7.427 -6.123 -4.659 1.00 0.00 C ATOM 672 CG2 VAL A 44 -8.966 -7.567 -3.315 1.00 0.00 C ATOM 0 H VAL A 44 -7.139 -4.342 -2.520 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.649 -6.916 -1.279 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.718 -5.431 -3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.180 -6.114 -5.447 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.891 -5.174 -4.659 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.724 -6.937 -4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.631 -7.542 -4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.328 -8.449 -3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.559 -7.608 -2.401 1.00 0.00 H new ATOM 682 N ALA A 45 -4.734 -6.456 -2.536 1.00 0.00 N ATOM 683 CA ALA A 45 -3.426 -7.083 -2.569 1.00 0.00 C ATOM 684 C ALA A 45 -2.933 -7.377 -1.151 1.00 0.00 C ATOM 685 O ALA A 45 -2.146 -8.302 -0.991 1.00 0.00 O ATOM 686 CB ALA A 45 -2.424 -6.194 -3.314 1.00 0.00 C ATOM 0 H ALA A 45 -4.718 -5.455 -2.731 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.512 -8.029 -3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.448 -6.679 -3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.767 -6.037 -4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.343 -5.233 -2.807 1.00 0.00 H new ATOM 692 N ILE A 46 -3.363 -6.636 -0.124 1.00 0.00 N ATOM 693 CA ILE A 46 -2.962 -6.875 1.261 1.00 0.00 C ATOM 694 C ILE A 46 -3.679 -8.131 1.749 1.00 0.00 C ATOM 695 O ILE A 46 -4.839 -8.111 2.179 1.00 0.00 O ATOM 696 CB ILE A 46 -3.203 -5.633 2.149 1.00 0.00 C ATOM 697 CG1 ILE A 46 -2.224 -4.514 1.732 1.00 0.00 C ATOM 698 CG2 ILE A 46 -2.980 -5.934 3.646 1.00 0.00 C ATOM 699 CD1 ILE A 46 -2.722 -3.116 2.093 1.00 0.00 C ATOM 0 H ILE A 46 -4.003 -5.849 -0.234 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.888 -7.047 1.325 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.240 -5.329 2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.261 -4.685 2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.058 -4.567 0.656 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.161 -5.031 4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.667 -6.717 3.966 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.954 -6.267 3.801 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.989 -2.375 1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.671 -2.927 1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.861 -3.047 3.172 1.00 0.00 H new ATOM 711 N LYS A 47 -2.963 -9.247 1.696 1.00 0.00 N ATOM 712 CA LYS A 47 -3.328 -10.449 2.414 1.00 0.00 C ATOM 713 C LYS A 47 -2.582 -10.401 3.737 1.00 0.00 C ATOM 714 O LYS A 47 -1.437 -9.950 3.817 1.00 0.00 O ATOM 715 CB LYS A 47 -2.964 -11.693 1.593 1.00 0.00 C ATOM 716 CG LYS A 47 -3.973 -11.987 0.469 1.00 0.00 C ATOM 717 CD LYS A 47 -4.017 -11.082 -0.773 1.00 0.00 C ATOM 718 CE LYS A 47 -2.907 -11.340 -1.802 1.00 0.00 C ATOM 719 NZ LYS A 47 -1.561 -10.935 -1.350 1.00 0.00 N ATOM 0 H LYS A 47 -2.108 -9.338 1.148 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.402 -10.505 2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.973 -11.558 1.159 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.906 -12.556 2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.788 -13.004 0.124 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.968 -11.977 0.914 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.983 -11.209 -1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.958 -10.043 -0.449 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.892 -12.402 -2.046 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.146 -10.805 -2.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.926 -10.866 -2.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.617 -10.011 -0.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.191 -11.643 -0.684 1.00 0.00 H new ATOM 733 N LYS A 48 -3.226 -10.876 4.797 1.00 0.00 N ATOM 734 CA LYS A 48 -2.581 -11.120 6.072 1.00 0.00 C ATOM 735 C LYS A 48 -1.399 -12.066 5.870 1.00 0.00 C ATOM 736 O LYS A 48 -1.401 -12.832 4.904 1.00 0.00 O ATOM 737 CB LYS A 48 -3.574 -11.753 7.051 1.00 0.00 C ATOM 738 CG LYS A 48 -4.634 -10.773 7.551 1.00 0.00 C ATOM 739 CD LYS A 48 -5.377 -11.409 8.732 1.00 0.00 C ATOM 740 CE LYS A 48 -6.535 -10.571 9.277 1.00 0.00 C ATOM 741 NZ LYS A 48 -7.151 -11.234 10.446 1.00 0.00 N ATOM 0 H LYS A 48 -4.220 -11.103 4.790 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.231 -10.172 6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.067 -12.595 6.565 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.027 -12.154 7.905 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.168 -9.837 7.858 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.333 -10.533 6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.762 -12.380 8.422 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.666 -11.590 9.538 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.174 -9.583 9.561 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.284 -10.425 8.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.935 -10.651 10.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.514 -12.167 10.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.438 -11.351 11.194 1.00 0.00 H new ATOM 755 N PRO A 49 -0.445 -12.095 6.813 1.00 0.00 N ATOM 756 CA PRO A 49 0.687 -13.010 6.779 1.00 0.00 C ATOM 757 C PRO A 49 0.210 -14.450 6.560 1.00 0.00 C ATOM 758 O PRO A 49 0.676 -15.113 5.635 1.00 0.00 O ATOM 759 CB PRO A 49 1.426 -12.799 8.107 1.00 0.00 C ATOM 760 CG PRO A 49 1.009 -11.388 8.525 1.00 0.00 C ATOM 761 CD PRO A 49 -0.435 -11.331 8.048 1.00 0.00 C ATOM 0 HA PRO A 49 1.364 -12.816 5.947 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.135 -13.541 8.851 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.506 -12.879 7.983 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.089 -11.241 9.602 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.625 -10.623 8.052 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.113 -11.761 8.785 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.757 -10.303 7.881 1.00 0.00 H new ATOM 769 N SER A 50 -0.807 -14.871 7.322 1.00 0.00 N ATOM 770 CA SER A 50 -1.437 -16.185 7.273 1.00 0.00 C ATOM 771 C SER A 50 -2.139 -16.551 5.954 1.00 0.00 C ATOM 772 O SER A 50 -2.619 -17.677 5.848 1.00 0.00 O ATOM 773 CB SER A 50 -2.463 -16.267 8.411 1.00 0.00 C ATOM 774 OG SER A 50 -1.896 -15.845 9.644 1.00 0.00 O ATOM 0 H SER A 50 -1.231 -14.267 8.026 1.00 0.00 H new ATOM 0 HA SER A 50 -0.622 -16.902 7.370 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.326 -15.645 8.172 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.825 -17.291 8.505 1.00 0.00 H new ATOM 0 HG SER A 50 -2.571 -15.905 10.352 1.00 0.00 H new ATOM 780 N GLY A 51 -2.239 -15.645 4.970 1.00 0.00 N ATOM 781 CA GLY A 51 -2.911 -15.945 3.712 1.00 0.00 C ATOM 782 C GLY A 51 -4.423 -15.743 3.799 1.00 0.00 C ATOM 783 O GLY A 51 -5.169 -16.536 3.220 1.00 0.00 O ATOM 0 H GLY A 51 -1.860 -14.700 5.028 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.506 -15.308 2.926 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.700 -16.976 3.427 1.00 0.00 H new ATOM 787 N ASP A 52 -4.887 -14.736 4.544 1.00 0.00 N ATOM 788 CA ASP A 52 -6.300 -14.336 4.598 1.00 0.00 C ATOM 789 C ASP A 52 -6.420 -12.954 3.956 1.00 0.00 C ATOM 790 O ASP A 52 -5.592 -12.095 4.255 1.00 0.00 O ATOM 791 CB ASP A 52 -6.815 -14.211 6.044 1.00 0.00 C ATOM 792 CG ASP A 52 -6.674 -15.421 6.967 1.00 0.00 C ATOM 793 OD1 ASP A 52 -6.280 -16.527 6.540 1.00 0.00 O ATOM 794 OD2 ASP A 52 -6.956 -15.255 8.179 1.00 0.00 O ATOM 0 H ASP A 52 -4.284 -14.165 5.137 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.886 -15.097 4.083 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.297 -13.374 6.511 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.872 -13.947 6.000 1.00 0.00 H new ATOM 799 N ASP A 53 -7.440 -12.680 3.140 1.00 0.00 N ATOM 800 CA ASP A 53 -7.627 -11.365 2.514 1.00 0.00 C ATOM 801 C ASP A 53 -7.953 -10.361 3.616 1.00 0.00 C ATOM 802 O ASP A 53 -8.967 -10.514 4.299 1.00 0.00 O ATOM 803 CB ASP A 53 -8.769 -11.378 1.482 1.00 0.00 C ATOM 804 CG ASP A 53 -8.391 -11.888 0.089 1.00 0.00 C ATOM 805 OD1 ASP A 53 -7.227 -12.261 -0.180 1.00 0.00 O ATOM 806 OD2 ASP A 53 -9.311 -11.970 -0.754 1.00 0.00 O ATOM 0 H ASP A 53 -8.159 -13.360 2.894 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.713 -11.093 1.986 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.579 -11.997 1.869 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.160 -10.365 1.386 1.00 0.00 H new ATOM 811 N ARG A 54 -7.106 -9.348 3.852 1.00 0.00 N ATOM 812 CA ARG A 54 -7.368 -8.401 4.941 1.00 0.00 C ATOM 813 C ARG A 54 -8.604 -7.553 4.637 1.00 0.00 C ATOM 814 O ARG A 54 -9.374 -7.243 5.549 1.00 0.00 O ATOM 815 CB ARG A 54 -6.139 -7.517 5.221 1.00 0.00 C ATOM 816 CG ARG A 54 -6.377 -6.645 6.460 1.00 0.00 C ATOM 817 CD ARG A 54 -5.092 -6.106 7.100 1.00 0.00 C ATOM 818 NE ARG A 54 -4.398 -7.094 7.959 1.00 0.00 N ATOM 819 CZ ARG A 54 -4.744 -7.440 9.211 1.00 0.00 C ATOM 820 NH1 ARG A 54 -5.902 -7.038 9.724 1.00 0.00 N ATOM 821 NH2 ARG A 54 -3.953 -8.219 9.946 1.00 0.00 N ATOM 0 H ARG A 54 -6.256 -9.167 3.318 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.569 -8.976 5.845 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.260 -8.143 5.373 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.934 -6.884 4.357 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.013 -5.804 6.183 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.924 -7.227 7.202 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.412 -5.781 6.312 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.334 -5.226 7.696 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.580 -7.556 7.562 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.534 -6.463 9.167 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.158 -7.304 10.675 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.073 -8.561 9.560 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.227 -8.474 10.895 1.00 0.00 H new ATOM 835 N TYR A 55 -8.797 -7.168 3.374 1.00 0.00 N ATOM 836 CA TYR A 55 -9.815 -6.210 2.963 1.00 0.00 C ATOM 837 C TYR A 55 -10.671 -6.837 1.866 1.00 0.00 C ATOM 838 O TYR A 55 -10.493 -6.593 0.670 1.00 0.00 O ATOM 839 CB TYR A 55 -9.156 -4.886 2.546 1.00 0.00 C ATOM 840 CG TYR A 55 -8.338 -4.230 3.646 1.00 0.00 C ATOM 841 CD1 TYR A 55 -8.980 -3.756 4.805 1.00 0.00 C ATOM 842 CD2 TYR A 55 -6.938 -4.117 3.535 1.00 0.00 C ATOM 843 CE1 TYR A 55 -8.238 -3.152 5.832 1.00 0.00 C ATOM 844 CE2 TYR A 55 -6.188 -3.511 4.559 1.00 0.00 C ATOM 845 CZ TYR A 55 -6.839 -3.008 5.709 1.00 0.00 C ATOM 846 OH TYR A 55 -6.121 -2.418 6.702 1.00 0.00 O ATOM 0 H TYR A 55 -8.238 -7.522 2.597 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.479 -5.968 3.793 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.511 -5.068 1.687 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.932 -4.192 2.221 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.051 -3.858 4.905 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.437 -4.498 2.657 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.739 -2.796 6.720 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.115 -3.430 4.467 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.728 -1.942 7.306 1.00 0.00 H new ATOM 856 N ASN A 56 -11.616 -7.674 2.293 1.00 0.00 N ATOM 857 CA ASN A 56 -12.672 -8.175 1.420 1.00 0.00 C ATOM 858 C ASN A 56 -13.638 -7.041 1.061 1.00 0.00 C ATOM 859 O ASN A 56 -13.574 -5.941 1.621 1.00 0.00 O ATOM 860 CB ASN A 56 -13.454 -9.300 2.095 1.00 0.00 C ATOM 861 CG ASN A 56 -12.733 -10.640 2.096 1.00 0.00 C ATOM 862 OD1 ASN A 56 -12.998 -11.475 1.243 1.00 0.00 O ATOM 863 ND2 ASN A 56 -11.889 -10.916 3.074 1.00 0.00 N ATOM 0 H ASN A 56 -11.669 -8.022 3.250 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.203 -8.564 0.516 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.668 -9.013 3.125 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.413 -9.415 1.591 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.449 -11.835 3.124 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.677 -10.210 3.779 1.00 0.00 H new ATOM 870 N GLN A 57 -14.585 -7.331 0.164 1.00 0.00 N ATOM 871 CA GLN A 57 -15.465 -6.349 -0.448 1.00 0.00 C ATOM 872 C GLN A 57 -16.262 -5.503 0.559 1.00 0.00 C ATOM 873 O GLN A 57 -16.535 -4.335 0.289 1.00 0.00 O ATOM 874 CB GLN A 57 -16.361 -7.053 -1.474 1.00 0.00 C ATOM 875 CG GLN A 57 -17.224 -6.090 -2.302 1.00 0.00 C ATOM 876 CD GLN A 57 -17.921 -6.807 -3.457 1.00 0.00 C ATOM 877 OE1 GLN A 57 -19.146 -6.813 -3.548 1.00 0.00 O ATOM 878 NE2 GLN A 57 -17.161 -7.421 -4.348 1.00 0.00 N ATOM 0 H GLN A 57 -14.760 -8.282 -0.161 1.00 0.00 H new ATOM 0 HA GLN A 57 -14.841 -5.615 -0.958 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -15.736 -7.638 -2.148 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.013 -7.755 -0.954 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -17.971 -5.626 -1.658 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -16.599 -5.288 -2.695 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -16.146 -7.402 -4.252 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -17.590 -7.913 -5.132 1.00 0.00 H new ATOM 887 N PHE A 58 -16.579 -6.035 1.741 1.00 0.00 N ATOM 888 CA PHE A 58 -17.234 -5.296 2.818 1.00 0.00 C ATOM 889 C PHE A 58 -16.457 -4.029 3.201 1.00 0.00 C ATOM 890 O PHE A 58 -17.039 -2.943 3.283 1.00 0.00 O ATOM 891 CB PHE A 58 -17.381 -6.235 4.017 1.00 0.00 C ATOM 892 CG PHE A 58 -18.231 -5.712 5.158 1.00 0.00 C ATOM 893 CD1 PHE A 58 -19.630 -5.655 5.017 1.00 0.00 C ATOM 894 CD2 PHE A 58 -17.638 -5.351 6.383 1.00 0.00 C ATOM 895 CE1 PHE A 58 -20.434 -5.243 6.094 1.00 0.00 C ATOM 896 CE2 PHE A 58 -18.446 -4.942 7.458 1.00 0.00 C ATOM 897 CZ PHE A 58 -19.842 -4.888 7.317 1.00 0.00 C ATOM 0 H PHE A 58 -16.384 -7.007 1.979 1.00 0.00 H new ATOM 0 HA PHE A 58 -18.214 -4.960 2.480 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -17.810 -7.175 3.669 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -16.387 -6.462 4.402 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -20.088 -5.929 4.078 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -16.565 -5.388 6.496 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -21.507 -5.199 5.981 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -17.990 -4.668 8.398 1.00 0.00 H new ATOM 0 HZ PHE A 58 -20.459 -4.574 8.146 1.00 0.00 H new ATOM 907 N HIS A 59 -15.138 -4.145 3.390 1.00 0.00 N ATOM 908 CA HIS A 59 -14.262 -3.039 3.724 1.00 0.00 C ATOM 909 C HIS A 59 -14.163 -2.101 2.530 1.00 0.00 C ATOM 910 O HIS A 59 -14.166 -0.886 2.688 1.00 0.00 O ATOM 911 CB HIS A 59 -12.872 -3.585 4.062 1.00 0.00 C ATOM 912 CG HIS A 59 -12.812 -4.359 5.353 1.00 0.00 C ATOM 913 ND1 HIS A 59 -13.027 -5.706 5.552 1.00 0.00 N ATOM 914 CD2 HIS A 59 -12.485 -3.816 6.560 1.00 0.00 C ATOM 915 CE1 HIS A 59 -12.805 -5.963 6.851 1.00 0.00 C ATOM 916 NE2 HIS A 59 -12.455 -4.845 7.508 1.00 0.00 N ATOM 0 H HIS A 59 -14.648 -5.036 3.311 1.00 0.00 H new ATOM 0 HA HIS A 59 -14.660 -2.496 4.581 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.539 -4.230 3.249 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.170 -2.753 4.117 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -12.284 -2.772 6.751 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.896 -6.938 7.307 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -12.216 -4.763 8.496 1.00 0.00 H new ATOM 924 N ILE A 60 -14.093 -2.662 1.323 1.00 0.00 N ATOM 925 CA ILE A 60 -13.996 -1.899 0.093 1.00 0.00 C ATOM 926 C ILE A 60 -15.211 -0.988 -0.071 1.00 0.00 C ATOM 927 O ILE A 60 -15.025 0.185 -0.364 1.00 0.00 O ATOM 928 CB ILE A 60 -13.777 -2.854 -1.093 1.00 0.00 C ATOM 929 CG1 ILE A 60 -12.462 -3.656 -0.960 1.00 0.00 C ATOM 930 CG2 ILE A 60 -13.842 -2.105 -2.423 1.00 0.00 C ATOM 931 CD1 ILE A 60 -11.170 -2.831 -0.987 1.00 0.00 C ATOM 0 H ILE A 60 -14.103 -3.671 1.177 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.130 -1.237 0.130 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.591 -3.578 -1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.493 -4.216 -0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.421 -4.386 -1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.684 -2.805 -3.243 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.821 -1.637 -2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -13.068 -1.338 -2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.312 -3.495 -0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.102 -2.292 -1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -11.176 -2.119 -0.162 1.00 0.00 H new ATOM 943 N ARG A 61 -16.436 -1.481 0.118 1.00 0.00 N ATOM 944 CA ARG A 61 -17.647 -0.659 0.024 1.00 0.00 C ATOM 945 C ARG A 61 -17.626 0.468 1.060 1.00 0.00 C ATOM 946 O ARG A 61 -18.086 1.577 0.784 1.00 0.00 O ATOM 947 CB ARG A 61 -18.875 -1.564 0.191 1.00 0.00 C ATOM 948 CG ARG A 61 -19.145 -2.397 -1.073 1.00 0.00 C ATOM 949 CD ARG A 61 -19.988 -1.650 -2.114 1.00 0.00 C ATOM 950 NE ARG A 61 -21.429 -1.905 -1.946 1.00 0.00 N ATOM 951 CZ ARG A 61 -22.445 -1.176 -2.419 1.00 0.00 C ATOM 952 NH1 ARG A 61 -22.258 0.053 -2.890 1.00 0.00 N ATOM 953 NH2 ARG A 61 -23.661 -1.707 -2.419 1.00 0.00 N ATOM 0 H ARG A 61 -16.618 -2.460 0.340 1.00 0.00 H new ATOM 0 HA ARG A 61 -17.692 -0.182 -0.955 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -18.723 -2.230 1.040 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -19.749 -0.953 0.418 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.194 -2.685 -1.522 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -19.656 -3.318 -0.792 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -19.798 -0.580 -2.034 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -19.681 -1.954 -3.115 1.00 0.00 H new ATOM 0 HE ARG A 61 -21.681 -2.733 -1.407 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -21.323 0.460 -2.896 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -23.050 0.589 -3.245 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -23.805 -2.652 -2.063 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -24.452 -1.170 -2.775 1.00 0.00 H new ATOM 967 N ARG A 62 -17.074 0.220 2.248 1.00 0.00 N ATOM 968 CA ARG A 62 -16.791 1.259 3.230 1.00 0.00 C ATOM 969 C ARG A 62 -15.812 2.296 2.680 1.00 0.00 C ATOM 970 O ARG A 62 -16.150 3.473 2.631 1.00 0.00 O ATOM 971 CB ARG A 62 -16.339 0.607 4.543 1.00 0.00 C ATOM 972 CG ARG A 62 -17.524 0.699 5.489 1.00 0.00 C ATOM 973 CD ARG A 62 -17.507 -0.390 6.539 1.00 0.00 C ATOM 974 NE ARG A 62 -16.454 -0.197 7.548 1.00 0.00 N ATOM 975 CZ ARG A 62 -15.961 -1.153 8.339 1.00 0.00 C ATOM 976 NH1 ARG A 62 -16.597 -2.302 8.523 1.00 0.00 N ATOM 977 NH2 ARG A 62 -14.797 -0.961 8.932 1.00 0.00 N ATOM 0 H ARG A 62 -16.810 -0.716 2.555 1.00 0.00 H new ATOM 0 HA ARG A 62 -17.699 1.822 3.448 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -16.048 -0.431 4.383 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.471 1.121 4.955 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -17.520 1.673 5.979 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -18.449 0.634 4.916 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -18.477 -0.424 7.035 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -17.364 -1.355 6.052 1.00 0.00 H new ATOM 0 HE ARG A 62 -16.070 0.742 7.652 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -17.487 -2.473 8.054 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -16.197 -3.015 9.133 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.286 -0.091 8.783 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.409 -1.683 9.539 1.00 0.00 H new ATOM 991 N PHE A 63 -14.629 1.886 2.222 1.00 0.00 N ATOM 992 CA PHE A 63 -13.654 2.784 1.593 1.00 0.00 C ATOM 993 C PHE A 63 -14.250 3.550 0.396 1.00 0.00 C ATOM 994 O PHE A 63 -13.934 4.725 0.231 1.00 0.00 O ATOM 995 CB PHE A 63 -12.393 2.022 1.153 1.00 0.00 C ATOM 996 CG PHE A 63 -11.464 1.477 2.233 1.00 0.00 C ATOM 997 CD1 PHE A 63 -10.783 2.347 3.107 1.00 0.00 C ATOM 998 CD2 PHE A 63 -11.177 0.097 2.293 1.00 0.00 C ATOM 999 CE1 PHE A 63 -9.849 1.846 4.032 1.00 0.00 C ATOM 1000 CE2 PHE A 63 -10.232 -0.404 3.206 1.00 0.00 C ATOM 1001 CZ PHE A 63 -9.561 0.472 4.075 1.00 0.00 C ATOM 0 H PHE A 63 -14.316 0.917 2.276 1.00 0.00 H new ATOM 0 HA PHE A 63 -13.377 3.515 2.352 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -12.711 1.183 0.533 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.809 2.686 0.516 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.980 3.408 3.067 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -11.690 -0.583 1.629 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.351 2.521 4.712 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.022 -1.463 3.239 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.829 0.092 4.772 1.00 0.00 H new ATOM 1011 N GLU A 64 -15.124 2.951 -0.422 1.00 0.00 N ATOM 1012 CA GLU A 64 -15.820 3.645 -1.506 1.00 0.00 C ATOM 1013 C GLU A 64 -16.612 4.828 -0.944 1.00 0.00 C ATOM 1014 O GLU A 64 -16.620 5.892 -1.545 1.00 0.00 O ATOM 1015 CB GLU A 64 -16.767 2.715 -2.298 1.00 0.00 C ATOM 1016 CG GLU A 64 -16.065 1.722 -3.244 1.00 0.00 C ATOM 1017 CD GLU A 64 -16.985 1.035 -4.264 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -18.188 0.821 -4.009 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -16.487 0.654 -5.355 1.00 0.00 O ATOM 0 H GLU A 64 -15.368 1.963 -0.347 1.00 0.00 H new ATOM 0 HA GLU A 64 -15.057 3.998 -2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.374 2.151 -1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.450 3.330 -2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.280 2.251 -3.784 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.577 0.955 -2.643 1.00 0.00 H new ATOM 1026 N ALA A 65 -17.248 4.708 0.222 1.00 0.00 N ATOM 1027 CA ALA A 65 -17.992 5.823 0.801 1.00 0.00 C ATOM 1028 C ALA A 65 -17.106 7.037 1.112 1.00 0.00 C ATOM 1029 O ALA A 65 -17.634 8.133 1.267 1.00 0.00 O ATOM 1030 CB ALA A 65 -18.740 5.336 2.044 1.00 0.00 C ATOM 0 H ALA A 65 -17.262 3.854 0.780 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.710 6.172 0.059 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.298 6.164 2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.431 4.541 1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.025 4.955 2.773 1.00 0.00 H new ATOM 1036 N LEU A 66 -15.783 6.876 1.180 1.00 0.00 N ATOM 1037 CA LEU A 66 -14.838 7.969 1.358 1.00 0.00 C ATOM 1038 C LEU A 66 -14.709 8.741 0.043 1.00 0.00 C ATOM 1039 O LEU A 66 -14.999 9.937 -0.008 1.00 0.00 O ATOM 1040 CB LEU A 66 -13.480 7.419 1.822 1.00 0.00 C ATOM 1041 CG LEU A 66 -13.550 6.528 3.068 1.00 0.00 C ATOM 1042 CD1 LEU A 66 -12.168 5.920 3.283 1.00 0.00 C ATOM 1043 CD2 LEU A 66 -13.962 7.327 4.305 1.00 0.00 C ATOM 0 H LEU A 66 -15.334 5.963 1.111 1.00 0.00 H new ATOM 0 HA LEU A 66 -15.199 8.652 2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.035 6.848 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.813 8.257 2.026 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.301 5.752 2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.186 5.279 4.165 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.891 5.329 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.439 6.717 3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.002 6.664 5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -13.234 8.118 4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -14.945 7.769 4.142 1.00 0.00 H new ATOM 1055 N LEU A 67 -14.320 8.057 -1.040 1.00 0.00 N ATOM 1056 CA LEU A 67 -14.081 8.683 -2.336 1.00 0.00 C ATOM 1057 C LEU A 67 -15.329 9.345 -2.901 1.00 0.00 C ATOM 1058 O LEU A 67 -15.229 10.330 -3.624 1.00 0.00 O ATOM 1059 CB LEU A 67 -13.467 7.663 -3.305 1.00 0.00 C ATOM 1060 CG LEU A 67 -14.404 6.662 -4.008 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -15.080 7.221 -5.266 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -13.606 5.422 -4.401 1.00 0.00 C ATOM 0 H LEU A 67 -14.163 7.049 -1.037 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.364 9.492 -2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -12.935 8.218 -4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.722 7.089 -2.754 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.196 6.431 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.723 6.457 -5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.680 8.092 -5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.318 7.512 -5.989 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.263 4.709 -4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.800 5.707 -5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.184 4.963 -3.507 1.00 0.00 H new ATOM 1074 N GLN A 68 -16.510 8.841 -2.540 1.00 0.00 N ATOM 1075 CA GLN A 68 -17.799 9.347 -3.002 1.00 0.00 C ATOM 1076 C GLN A 68 -18.093 10.759 -2.471 1.00 0.00 C ATOM 1077 O GLN A 68 -19.054 11.389 -2.918 1.00 0.00 O ATOM 1078 CB GLN A 68 -18.876 8.332 -2.586 1.00 0.00 C ATOM 1079 CG GLN A 68 -18.708 7.002 -3.347 1.00 0.00 C ATOM 1080 CD GLN A 68 -19.296 6.974 -4.749 1.00 0.00 C ATOM 1081 OE1 GLN A 68 -20.128 7.789 -5.126 1.00 0.00 O ATOM 1082 NE2 GLN A 68 -18.930 5.974 -5.531 1.00 0.00 N ATOM 0 H GLN A 68 -16.596 8.050 -1.902 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.789 9.450 -4.087 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -18.814 8.151 -1.513 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.865 8.745 -2.783 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.644 6.772 -3.413 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.170 6.207 -2.762 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -18.236 5.301 -5.207 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -19.342 5.875 -6.459 1.00 0.00 H new ATOM 1091 N THR A 69 -17.287 11.267 -1.540 1.00 0.00 N ATOM 1092 CA THR A 69 -17.289 12.648 -1.070 1.00 0.00 C ATOM 1093 C THR A 69 -15.875 13.266 -1.204 1.00 0.00 C ATOM 1094 O THR A 69 -15.691 14.463 -0.968 1.00 0.00 O ATOM 1095 CB THR A 69 -17.899 12.658 0.348 1.00 0.00 C ATOM 1096 OG1 THR A 69 -17.943 13.951 0.899 1.00 0.00 O ATOM 1097 CG2 THR A 69 -17.146 11.757 1.328 1.00 0.00 C ATOM 0 H THR A 69 -16.582 10.698 -1.072 1.00 0.00 H new ATOM 0 HA THR A 69 -17.913 13.299 -1.683 1.00 0.00 H new ATOM 0 HB THR A 69 -18.911 12.275 0.213 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.329 14.537 0.409 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.622 11.806 2.307 1.00 0.00 H new ATOM 0 HG22 THR A 69 -17.166 10.729 0.966 1.00 0.00 H new ATOM 0 HG23 THR A 69 -16.112 12.093 1.410 1.00 0.00 H new ATOM 1105 N GLY A 70 -14.881 12.480 -1.632 1.00 0.00 N ATOM 1106 CA GLY A 70 -13.525 12.907 -1.938 1.00 0.00 C ATOM 1107 C GLY A 70 -12.504 12.566 -0.861 1.00 0.00 C ATOM 1108 O GLY A 70 -11.306 12.733 -1.107 1.00 0.00 O ATOM 0 H GLY A 70 -15.015 11.480 -1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.214 12.447 -2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.523 13.985 -2.096 1.00 0.00 H new ATOM 1112 N LYS A 71 -12.929 12.115 0.328 1.00 0.00 N ATOM 1113 CA LYS A 71 -12.001 11.732 1.382 1.00 0.00 C ATOM 1114 C LYS A 71 -11.145 10.609 0.832 1.00 0.00 C ATOM 1115 O LYS A 71 -11.696 9.613 0.378 1.00 0.00 O ATOM 1116 CB LYS A 71 -12.739 11.283 2.648 1.00 0.00 C ATOM 1117 CG LYS A 71 -13.526 12.446 3.267 1.00 0.00 C ATOM 1118 CD LYS A 71 -13.787 12.287 4.764 1.00 0.00 C ATOM 1119 CE LYS A 71 -12.454 12.393 5.510 1.00 0.00 C ATOM 1120 NZ LYS A 71 -12.601 12.465 6.973 1.00 0.00 N ATOM 0 H LYS A 71 -13.913 12.009 0.576 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.388 12.585 1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.419 10.466 2.406 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.023 10.897 3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.978 13.373 3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.480 12.543 2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.476 13.057 5.111 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.257 11.324 4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.836 11.531 5.257 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.922 13.279 5.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.661 12.535 7.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.165 13.302 7.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.081 11.609 7.316 1.00 0.00 H new ATOM 1134 N SER A 72 -9.823 10.763 0.867 1.00 0.00 N ATOM 1135 CA SER A 72 -8.926 9.776 0.298 1.00 0.00 C ATOM 1136 C SER A 72 -9.211 8.400 0.885 1.00 0.00 C ATOM 1137 O SER A 72 -8.932 8.202 2.077 1.00 0.00 O ATOM 1138 CB SER A 72 -7.473 10.142 0.595 1.00 0.00 C ATOM 1139 OG SER A 72 -7.142 11.358 -0.007 1.00 0.00 O ATOM 0 H SER A 72 -9.354 11.566 1.286 1.00 0.00 H new ATOM 0 HA SER A 72 -9.087 9.757 -0.780 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.322 10.210 1.672 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.812 9.356 0.229 1.00 0.00 H new ATOM 0 HG SER A 72 -6.209 11.579 0.194 1.00 0.00 H new ATOM 1145 N PRO A 73 -9.654 7.432 0.066 1.00 0.00 N ATOM 1146 CA PRO A 73 -9.580 6.048 0.460 1.00 0.00 C ATOM 1147 C PRO A 73 -8.113 5.661 0.603 1.00 0.00 C ATOM 1148 O PRO A 73 -7.826 4.830 1.454 1.00 0.00 O ATOM 1149 CB PRO A 73 -10.296 5.266 -0.639 1.00 0.00 C ATOM 1150 CG PRO A 73 -10.020 6.116 -1.877 1.00 0.00 C ATOM 1151 CD PRO A 73 -10.042 7.536 -1.337 1.00 0.00 C ATOM 0 HA PRO A 73 -10.052 5.840 1.420 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.900 4.256 -0.743 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.364 5.171 -0.441 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.058 5.871 -2.327 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.778 5.966 -2.645 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.352 8.175 -1.888 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.034 7.977 -1.437 1.00 0.00 H new ATOM 1159 N THR A 74 -7.173 6.293 -0.123 1.00 0.00 N ATOM 1160 CA THR A 74 -5.772 5.972 0.029 1.00 0.00 C ATOM 1161 C THR A 74 -5.299 6.299 1.439 1.00 0.00 C ATOM 1162 O THR A 74 -4.616 5.482 2.049 1.00 0.00 O ATOM 1163 CB THR A 74 -4.982 6.755 -1.016 1.00 0.00 C ATOM 1164 OG1 THR A 74 -5.552 6.492 -2.281 1.00 0.00 O ATOM 1165 CG2 THR A 74 -3.507 6.356 -0.922 1.00 0.00 C ATOM 0 H THR A 74 -7.371 7.020 -0.810 1.00 0.00 H new ATOM 0 HA THR A 74 -5.613 4.904 -0.124 1.00 0.00 H new ATOM 0 HB THR A 74 -5.029 7.831 -0.848 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.430 7.271 -2.863 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.932 6.910 -1.665 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.130 6.587 0.074 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.407 5.287 -1.109 1.00 0.00 H new ATOM 1173 N CYS A 75 -5.627 7.495 1.940 1.00 0.00 N ATOM 1174 CA CYS A 75 -5.154 7.911 3.246 1.00 0.00 C ATOM 1175 C CYS A 75 -5.717 6.984 4.314 1.00 0.00 C ATOM 1176 O CYS A 75 -4.949 6.529 5.148 1.00 0.00 O ATOM 1177 CB CYS A 75 -5.531 9.377 3.505 1.00 0.00 C ATOM 1178 SG CYS A 75 -4.812 9.978 5.059 1.00 0.00 S ATOM 0 H CYS A 75 -6.212 8.179 1.460 1.00 0.00 H new ATOM 0 HA CYS A 75 -4.067 7.843 3.281 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -5.183 9.996 2.678 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -6.616 9.475 3.542 1.00 0.00 H new ATOM 0 HG CYS A 75 -5.151 11.220 5.242 1.00 0.00 H new ATOM 1184 N GLU A 76 -7.022 6.704 4.296 1.00 0.00 N ATOM 1185 CA GLU A 76 -7.628 5.828 5.293 1.00 0.00 C ATOM 1186 C GLU A 76 -7.065 4.419 5.209 1.00 0.00 C ATOM 1187 O GLU A 76 -6.735 3.843 6.238 1.00 0.00 O ATOM 1188 CB GLU A 76 -9.147 5.792 5.111 1.00 0.00 C ATOM 1189 CG GLU A 76 -9.815 6.896 5.935 1.00 0.00 C ATOM 1190 CD GLU A 76 -9.672 6.688 7.447 1.00 0.00 C ATOM 1191 OE1 GLU A 76 -10.227 5.686 7.952 1.00 0.00 O ATOM 1192 OE2 GLU A 76 -9.038 7.526 8.131 1.00 0.00 O ATOM 0 H GLU A 76 -7.675 7.071 3.604 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.391 6.230 6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.395 5.917 4.057 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.532 4.819 5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.379 7.858 5.664 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.874 6.942 5.679 1.00 0.00 H new ATOM 1199 N LEU A 77 -6.948 3.871 4.001 1.00 0.00 N ATOM 1200 CA LEU A 77 -6.388 2.545 3.776 1.00 0.00 C ATOM 1201 C LEU A 77 -4.990 2.465 4.373 1.00 0.00 C ATOM 1202 O LEU A 77 -4.724 1.594 5.194 1.00 0.00 O ATOM 1203 CB LEU A 77 -6.363 2.242 2.272 1.00 0.00 C ATOM 1204 CG LEU A 77 -5.612 0.955 1.891 1.00 0.00 C ATOM 1205 CD1 LEU A 77 -6.289 -0.306 2.436 1.00 0.00 C ATOM 1206 CD2 LEU A 77 -5.518 0.921 0.366 1.00 0.00 C ATOM 0 H LEU A 77 -7.243 4.341 3.145 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.011 1.797 4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.389 2.168 1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.903 3.083 1.753 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.619 0.965 2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.717 -1.184 2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.333 -0.254 3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.300 -0.378 2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.990 0.020 0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.521 0.920 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.976 1.799 0.015 1.00 0.00 H new ATOM 1218 N LEU A 78 -4.095 3.363 3.954 1.00 0.00 N ATOM 1219 CA LEU A 78 -2.722 3.387 4.422 1.00 0.00 C ATOM 1220 C LEU A 78 -2.666 3.593 5.941 1.00 0.00 C ATOM 1221 O LEU A 78 -1.812 3.010 6.606 1.00 0.00 O ATOM 1222 CB LEU A 78 -1.947 4.519 3.726 1.00 0.00 C ATOM 1223 CG LEU A 78 -1.510 4.258 2.271 1.00 0.00 C ATOM 1224 CD1 LEU A 78 -0.611 5.423 1.835 1.00 0.00 C ATOM 1225 CD2 LEU A 78 -0.761 2.932 2.085 1.00 0.00 C ATOM 0 H LEU A 78 -4.311 4.094 3.277 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.265 2.427 4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.566 5.416 3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.057 4.736 4.316 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.409 4.185 1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.285 5.266 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.169 6.357 1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.260 5.474 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.484 2.814 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.139 2.933 2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.405 2.105 2.385 1.00 0.00 H new ATOM 1237 N PHE A 79 -3.535 4.448 6.485 1.00 0.00 N ATOM 1238 CA PHE A 79 -3.580 4.785 7.900 1.00 0.00 C ATOM 1239 C PHE A 79 -4.009 3.563 8.715 1.00 0.00 C ATOM 1240 O PHE A 79 -3.347 3.212 9.693 1.00 0.00 O ATOM 1241 CB PHE A 79 -4.513 5.990 8.107 1.00 0.00 C ATOM 1242 CG PHE A 79 -4.607 6.483 9.534 1.00 0.00 C ATOM 1243 CD1 PHE A 79 -3.580 7.294 10.045 1.00 0.00 C ATOM 1244 CD2 PHE A 79 -5.701 6.141 10.352 1.00 0.00 C ATOM 1245 CE1 PHE A 79 -3.601 7.706 11.387 1.00 0.00 C ATOM 1246 CE2 PHE A 79 -5.745 6.595 11.684 1.00 0.00 C ATOM 1247 CZ PHE A 79 -4.688 7.361 12.207 1.00 0.00 C ATOM 0 H PHE A 79 -4.243 4.935 5.935 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.589 5.070 8.253 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.169 6.810 7.476 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.512 5.721 7.764 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.769 7.602 9.402 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.503 5.533 9.959 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.783 8.287 11.788 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.594 6.354 12.307 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.712 7.683 13.237 1.00 0.00 H new ATOM 1257 N ASP A 80 -5.092 2.896 8.319 1.00 0.00 N ATOM 1258 CA ASP A 80 -5.617 1.689 8.953 1.00 0.00 C ATOM 1259 C ASP A 80 -4.623 0.533 8.827 1.00 0.00 C ATOM 1260 O ASP A 80 -4.448 -0.270 9.747 1.00 0.00 O ATOM 1261 CB ASP A 80 -6.950 1.309 8.296 1.00 0.00 C ATOM 1262 CG ASP A 80 -7.554 0.058 8.935 1.00 0.00 C ATOM 1263 OD1 ASP A 80 -7.846 0.068 10.158 1.00 0.00 O ATOM 1264 OD2 ASP A 80 -7.786 -0.954 8.235 1.00 0.00 O ATOM 0 H ASP A 80 -5.648 3.193 7.517 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.774 1.888 10.013 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.651 2.139 8.386 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.796 1.136 7.231 1.00 0.00 H new ATOM 1269 N TRP A 81 -3.932 0.449 7.694 1.00 0.00 N ATOM 1270 CA TRP A 81 -2.931 -0.574 7.464 1.00 0.00 C ATOM 1271 C TRP A 81 -1.662 -0.307 8.295 1.00 0.00 C ATOM 1272 O TRP A 81 -1.006 -1.242 8.760 1.00 0.00 O ATOM 1273 CB TRP A 81 -2.670 -0.656 5.962 1.00 0.00 C ATOM 1274 CG TRP A 81 -1.816 -1.796 5.539 1.00 0.00 C ATOM 1275 CD1 TRP A 81 -1.908 -3.066 5.984 1.00 0.00 C ATOM 1276 CD2 TRP A 81 -0.746 -1.786 4.563 1.00 0.00 C ATOM 1277 NE1 TRP A 81 -0.901 -3.821 5.419 1.00 0.00 N ATOM 1278 CE2 TRP A 81 -0.158 -3.082 4.528 1.00 0.00 C ATOM 1279 CE3 TRP A 81 -0.235 -0.808 3.692 1.00 0.00 C ATOM 1280 CZ2 TRP A 81 0.938 -3.380 3.711 1.00 0.00 C ATOM 1281 CZ3 TRP A 81 0.840 -1.110 2.843 1.00 0.00 C ATOM 1282 CH2 TRP A 81 1.437 -2.381 2.869 1.00 0.00 C ATOM 0 H TRP A 81 -4.055 1.092 6.912 1.00 0.00 H new ATOM 0 HA TRP A 81 -3.290 -1.547 7.801 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.627 -0.726 5.445 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.199 0.272 5.638 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.653 -3.434 6.674 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -0.729 -4.803 5.635 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -0.672 0.180 3.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 1.389 -4.361 3.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 1.212 -0.358 2.163 1.00 0.00 H new ATOM 0 HH2 TRP A 81 2.286 -2.588 2.235 1.00 0.00 H new ATOM 1293 N GLY A 82 -1.353 0.957 8.599 1.00 0.00 N ATOM 1294 CA GLY A 82 -0.317 1.339 9.552 1.00 0.00 C ATOM 1295 C GLY A 82 -0.518 0.745 10.949 1.00 0.00 C ATOM 1296 O GLY A 82 0.473 0.498 11.650 1.00 0.00 O ATOM 0 H GLY A 82 -1.828 1.756 8.179 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.653 1.022 9.168 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.289 2.426 9.629 1.00 0.00 H new ATOM 1300 N THR A 83 -1.761 0.461 11.358 1.00 0.00 N ATOM 1301 CA THR A 83 -2.022 -0.234 12.614 1.00 0.00 C ATOM 1302 C THR A 83 -2.094 -1.760 12.415 1.00 0.00 C ATOM 1303 O THR A 83 -2.024 -2.504 13.392 1.00 0.00 O ATOM 1304 CB THR A 83 -3.161 0.458 13.398 1.00 0.00 C ATOM 1305 OG1 THR A 83 -3.162 0.120 14.775 1.00 0.00 O ATOM 1306 CG2 THR A 83 -4.554 0.209 12.839 1.00 0.00 C ATOM 0 H THR A 83 -2.600 0.705 10.832 1.00 0.00 H new ATOM 0 HA THR A 83 -1.174 -0.140 13.292 1.00 0.00 H new ATOM 0 HB THR A 83 -2.937 1.518 13.277 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.899 0.584 15.225 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.290 0.731 13.450 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.606 0.577 11.814 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.765 -0.860 12.852 1.00 0.00 H new ATOM 1314 N THR A 84 -2.133 -2.282 11.184 1.00 0.00 N ATOM 1315 CA THR A 84 -1.989 -3.708 10.914 1.00 0.00 C ATOM 1316 C THR A 84 -0.539 -4.193 11.076 1.00 0.00 C ATOM 1317 O THR A 84 -0.335 -5.389 11.296 1.00 0.00 O ATOM 1318 CB THR A 84 -2.603 -3.990 9.530 1.00 0.00 C ATOM 1319 OG1 THR A 84 -3.996 -4.170 9.662 1.00 0.00 O ATOM 1320 CG2 THR A 84 -2.009 -5.170 8.765 1.00 0.00 C ATOM 0 H THR A 84 -2.267 -1.719 10.344 1.00 0.00 H new ATOM 0 HA THR A 84 -2.533 -4.293 11.656 1.00 0.00 H new ATOM 0 HB THR A 84 -2.359 -3.113 8.930 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.462 -3.605 9.011 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.517 -5.275 7.806 1.00 0.00 H new ATOM 0 HG22 THR A 84 -0.946 -4.996 8.596 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.139 -6.083 9.346 1.00 0.00 H new ATOM 1328 N ASN A 85 0.452 -3.290 11.074 1.00 0.00 N ATOM 1329 CA ASN A 85 1.881 -3.569 11.275 1.00 0.00 C ATOM 1330 C ASN A 85 2.469 -4.244 10.033 1.00 0.00 C ATOM 1331 O ASN A 85 2.850 -5.420 10.048 1.00 0.00 O ATOM 1332 CB ASN A 85 2.212 -4.353 12.567 1.00 0.00 C ATOM 1333 CG ASN A 85 1.544 -3.799 13.812 1.00 0.00 C ATOM 1334 OD1 ASN A 85 2.084 -2.928 14.496 1.00 0.00 O ATOM 1335 ND2 ASN A 85 0.352 -4.276 14.113 1.00 0.00 N ATOM 0 H ASN A 85 0.270 -2.297 10.925 1.00 0.00 H new ATOM 0 HA ASN A 85 2.359 -2.600 11.419 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.910 -5.392 12.437 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.292 -4.351 12.715 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -0.147 -3.924 14.930 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -0.071 -4.997 13.529 1.00 0.00 H new ATOM 1342 N CYS A 86 2.564 -3.456 8.965 1.00 0.00 N ATOM 1343 CA CYS A 86 3.393 -3.692 7.787 1.00 0.00 C ATOM 1344 C CYS A 86 4.260 -2.437 7.589 1.00 0.00 C ATOM 1345 O CYS A 86 4.126 -1.475 8.360 1.00 0.00 O ATOM 1346 CB CYS A 86 2.489 -3.971 6.580 1.00 0.00 C ATOM 1347 SG CYS A 86 1.455 -5.442 6.861 1.00 0.00 S ATOM 0 H CYS A 86 2.035 -2.587 8.895 1.00 0.00 H new ATOM 0 HA CYS A 86 4.041 -4.560 7.906 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.853 -3.106 6.391 1.00 0.00 H new ATOM 0 HB3 CYS A 86 3.101 -4.117 5.690 1.00 0.00 H new ATOM 0 HG CYS A 86 1.030 -5.898 5.720 1.00 0.00 H new ATOM 1353 N THR A 87 5.134 -2.421 6.586 1.00 0.00 N ATOM 1354 CA THR A 87 6.171 -1.405 6.415 1.00 0.00 C ATOM 1355 C THR A 87 6.105 -0.795 5.010 1.00 0.00 C ATOM 1356 O THR A 87 5.357 -1.260 4.149 1.00 0.00 O ATOM 1357 CB THR A 87 7.539 -2.082 6.645 1.00 0.00 C ATOM 1358 OG1 THR A 87 7.642 -3.227 5.814 1.00 0.00 O ATOM 1359 CG2 THR A 87 7.743 -2.529 8.090 1.00 0.00 C ATOM 0 H THR A 87 5.142 -3.130 5.853 1.00 0.00 H new ATOM 0 HA THR A 87 6.024 -0.596 7.130 1.00 0.00 H new ATOM 0 HB THR A 87 8.302 -1.340 6.407 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.511 -3.658 5.957 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.722 -2.998 8.191 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.685 -1.664 8.750 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.968 -3.245 8.362 1.00 0.00 H new ATOM 1367 N VAL A 88 6.880 0.255 4.751 1.00 0.00 N ATOM 1368 CA VAL A 88 6.886 0.909 3.452 1.00 0.00 C ATOM 1369 C VAL A 88 7.445 -0.041 2.383 1.00 0.00 C ATOM 1370 O VAL A 88 6.991 0.001 1.243 1.00 0.00 O ATOM 1371 CB VAL A 88 7.737 2.183 3.514 1.00 0.00 C ATOM 1372 CG1 VAL A 88 7.761 2.872 2.152 1.00 0.00 C ATOM 1373 CG2 VAL A 88 7.175 3.194 4.513 1.00 0.00 C ATOM 0 H VAL A 88 7.515 0.671 5.432 1.00 0.00 H new ATOM 0 HA VAL A 88 5.863 1.175 3.186 1.00 0.00 H new ATOM 0 HB VAL A 88 8.736 1.873 3.821 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.369 3.775 2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.186 2.196 1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.745 3.137 1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.807 4.082 4.526 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.163 3.473 4.218 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.153 2.749 5.508 1.00 0.00 H new ATOM 1383 N GLY A 89 8.415 -0.893 2.726 1.00 0.00 N ATOM 1384 CA GLY A 89 8.912 -1.892 1.795 1.00 0.00 C ATOM 1385 C GLY A 89 7.800 -2.878 1.453 1.00 0.00 C ATOM 1386 O GLY A 89 7.706 -3.289 0.301 1.00 0.00 O ATOM 0 H GLY A 89 8.866 -0.906 3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.274 -1.409 0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.758 -2.422 2.233 1.00 0.00 H new ATOM 1390 N ASP A 90 6.917 -3.183 2.418 1.00 0.00 N ATOM 1391 CA ASP A 90 5.713 -3.985 2.163 1.00 0.00 C ATOM 1392 C ASP A 90 4.852 -3.267 1.111 1.00 0.00 C ATOM 1393 O ASP A 90 4.440 -3.865 0.116 1.00 0.00 O ATOM 1394 CB ASP A 90 4.913 -4.235 3.464 1.00 0.00 C ATOM 1395 CG ASP A 90 4.119 -5.545 3.489 1.00 0.00 C ATOM 1396 OD1 ASP A 90 3.271 -5.785 2.605 1.00 0.00 O ATOM 1397 OD2 ASP A 90 4.328 -6.341 4.436 1.00 0.00 O ATOM 0 H ASP A 90 7.017 -2.883 3.388 1.00 0.00 H new ATOM 0 HA ASP A 90 6.009 -4.963 1.784 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.605 -4.230 4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.222 -3.405 3.614 1.00 0.00 H new ATOM 1402 N LEU A 91 4.611 -1.966 1.321 1.00 0.00 N ATOM 1403 CA LEU A 91 3.803 -1.108 0.455 1.00 0.00 C ATOM 1404 C LEU A 91 4.351 -1.091 -0.966 1.00 0.00 C ATOM 1405 O LEU A 91 3.600 -1.380 -1.892 1.00 0.00 O ATOM 1406 CB LEU A 91 3.697 0.309 1.052 1.00 0.00 C ATOM 1407 CG LEU A 91 2.962 1.344 0.178 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.581 0.924 -0.347 1.00 0.00 C ATOM 1409 CD2 LEU A 91 2.802 2.640 0.984 1.00 0.00 C ATOM 0 H LEU A 91 4.988 -1.468 2.127 1.00 0.00 H new ATOM 0 HA LEU A 91 2.795 -1.519 0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.186 0.242 2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.704 0.677 1.251 1.00 0.00 H new ATOM 0 HG LEU A 91 3.584 1.463 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.160 1.730 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.682 0.028 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.920 0.715 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.283 3.383 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.224 2.439 1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.785 3.020 1.261 1.00 0.00 H new ATOM 1421 N VAL A 92 5.626 -0.752 -1.152 1.00 0.00 N ATOM 1422 CA VAL A 92 6.301 -0.772 -2.447 1.00 0.00 C ATOM 1423 C VAL A 92 6.057 -2.112 -3.130 1.00 0.00 C ATOM 1424 O VAL A 92 5.683 -2.127 -4.298 1.00 0.00 O ATOM 1425 CB VAL A 92 7.801 -0.504 -2.231 1.00 0.00 C ATOM 1426 CG1 VAL A 92 8.728 -1.050 -3.329 1.00 0.00 C ATOM 1427 CG2 VAL A 92 8.059 0.980 -1.980 1.00 0.00 C ATOM 0 H VAL A 92 6.231 -0.449 -0.389 1.00 0.00 H new ATOM 0 HA VAL A 92 5.904 0.007 -3.099 1.00 0.00 H new ATOM 0 HB VAL A 92 8.063 -1.075 -1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.763 -0.810 -3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.613 -2.132 -3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.466 -0.596 -4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 92 9.126 1.144 -1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.720 1.559 -2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.515 1.299 -1.091 1.00 0.00 H new ATOM 1437 N ASP A 93 6.270 -3.218 -2.422 1.00 0.00 N ATOM 1438 CA ASP A 93 6.218 -4.552 -3.007 1.00 0.00 C ATOM 1439 C ASP A 93 4.843 -4.828 -3.608 1.00 0.00 C ATOM 1440 O ASP A 93 4.728 -5.326 -4.729 1.00 0.00 O ATOM 1441 CB ASP A 93 6.524 -5.601 -1.928 1.00 0.00 C ATOM 1442 CG ASP A 93 7.745 -6.483 -2.200 1.00 0.00 C ATOM 1443 OD1 ASP A 93 8.463 -6.262 -3.200 1.00 0.00 O ATOM 1444 OD2 ASP A 93 7.958 -7.442 -1.422 1.00 0.00 O ATOM 0 H ASP A 93 6.484 -3.213 -1.425 1.00 0.00 H new ATOM 0 HA ASP A 93 6.963 -4.609 -3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.672 -5.088 -0.978 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.651 -6.243 -1.811 1.00 0.00 H new ATOM 1449 N LEU A 94 3.786 -4.520 -2.855 1.00 0.00 N ATOM 1450 CA LEU A 94 2.406 -4.667 -3.291 1.00 0.00 C ATOM 1451 C LEU A 94 2.108 -3.694 -4.423 1.00 0.00 C ATOM 1452 O LEU A 94 1.414 -4.057 -5.368 1.00 0.00 O ATOM 1453 CB LEU A 94 1.474 -4.369 -2.115 1.00 0.00 C ATOM 1454 CG LEU A 94 1.542 -5.439 -1.016 1.00 0.00 C ATOM 1455 CD1 LEU A 94 1.213 -4.811 0.331 1.00 0.00 C ATOM 1456 CD2 LEU A 94 0.559 -6.560 -1.313 1.00 0.00 C ATOM 0 H LEU A 94 3.872 -4.154 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 94 2.249 -5.686 -3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.733 -3.400 -1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.449 -4.293 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 94 2.550 -5.853 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.262 -5.573 1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.932 -4.022 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.209 -4.388 0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.617 -7.312 -0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.452 -6.156 -1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.807 -7.017 -2.271 1.00 0.00 H new ATOM 1468 N LEU A 95 2.600 -2.455 -4.332 1.00 0.00 N ATOM 1469 CA LEU A 95 2.400 -1.422 -5.340 1.00 0.00 C ATOM 1470 C LEU A 95 2.985 -1.868 -6.676 1.00 0.00 C ATOM 1471 O LEU A 95 2.297 -1.783 -7.690 1.00 0.00 O ATOM 1472 CB LEU A 95 3.012 -0.085 -4.902 1.00 0.00 C ATOM 1473 CG LEU A 95 2.211 0.712 -3.867 1.00 0.00 C ATOM 1474 CD1 LEU A 95 3.037 1.949 -3.501 1.00 0.00 C ATOM 1475 CD2 LEU A 95 0.836 1.130 -4.390 1.00 0.00 C ATOM 0 H LEU A 95 3.159 -2.141 -3.538 1.00 0.00 H new ATOM 0 HA LEU A 95 1.327 -1.270 -5.458 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.004 -0.278 -4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.147 0.538 -5.786 1.00 0.00 H new ATOM 0 HG LEU A 95 2.029 0.084 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.496 2.542 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.994 1.637 -3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.209 2.549 -4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.309 1.692 -3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.958 1.755 -5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.260 0.242 -4.650 1.00 0.00 H new ATOM 1487 N VAL A 96 4.216 -2.381 -6.701 1.00 0.00 N ATOM 1488 CA VAL A 96 4.800 -2.944 -7.912 1.00 0.00 C ATOM 1489 C VAL A 96 3.926 -4.106 -8.406 1.00 0.00 C ATOM 1490 O VAL A 96 3.705 -4.215 -9.613 1.00 0.00 O ATOM 1491 CB VAL A 96 6.270 -3.357 -7.667 1.00 0.00 C ATOM 1492 CG1 VAL A 96 6.894 -4.005 -8.909 1.00 0.00 C ATOM 1493 CG2 VAL A 96 7.154 -2.142 -7.328 1.00 0.00 C ATOM 0 H VAL A 96 4.830 -2.416 -5.887 1.00 0.00 H new ATOM 0 HA VAL A 96 4.823 -2.191 -8.700 1.00 0.00 H new ATOM 0 HB VAL A 96 6.236 -4.061 -6.835 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.927 -4.281 -8.696 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.328 -4.897 -9.177 1.00 0.00 H new ATOM 0 HG13 VAL A 96 6.871 -3.298 -9.738 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.179 -2.473 -7.163 1.00 0.00 H new ATOM 0 HG22 VAL A 96 7.130 -1.433 -8.155 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.779 -1.659 -6.426 1.00 0.00 H new ATOM 1503 N GLN A 97 3.366 -4.930 -7.512 1.00 0.00 N ATOM 1504 CA GLN A 97 2.577 -6.099 -7.876 1.00 0.00 C ATOM 1505 C GLN A 97 1.343 -5.670 -8.680 1.00 0.00 C ATOM 1506 O GLN A 97 1.007 -6.299 -9.686 1.00 0.00 O ATOM 1507 CB GLN A 97 2.261 -6.938 -6.610 1.00 0.00 C ATOM 1508 CG GLN A 97 0.773 -7.179 -6.311 1.00 0.00 C ATOM 1509 CD GLN A 97 0.543 -8.262 -5.260 1.00 0.00 C ATOM 1510 OE1 GLN A 97 1.297 -8.420 -4.306 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -0.519 -9.031 -5.409 1.00 0.00 N ATOM 0 H GLN A 97 3.453 -4.796 -6.505 1.00 0.00 H new ATOM 0 HA GLN A 97 3.144 -6.757 -8.535 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.752 -7.906 -6.709 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.708 -6.441 -5.749 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.321 -6.248 -5.970 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.264 -7.461 -7.233 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.141 -8.893 -6.205 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.718 -9.764 -4.728 1.00 0.00 H new ATOM 1520 N ILE A 98 0.668 -4.601 -8.249 1.00 0.00 N ATOM 1521 CA ILE A 98 -0.531 -4.081 -8.900 1.00 0.00 C ATOM 1522 C ILE A 98 -0.206 -3.174 -10.097 1.00 0.00 C ATOM 1523 O ILE A 98 -1.142 -2.612 -10.666 1.00 0.00 O ATOM 1524 CB ILE A 98 -1.466 -3.391 -7.887 1.00 0.00 C ATOM 1525 CG1 ILE A 98 -0.770 -2.204 -7.204 1.00 0.00 C ATOM 1526 CG2 ILE A 98 -1.996 -4.380 -6.835 1.00 0.00 C ATOM 1527 CD1 ILE A 98 -1.741 -1.269 -6.499 1.00 0.00 C ATOM 0 H ILE A 98 0.946 -4.067 -7.426 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.067 -4.938 -9.307 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.319 -3.012 -8.450 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.048 -2.581 -6.480 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.209 -1.641 -7.950 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.651 -3.855 -6.140 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -2.555 -5.174 -7.331 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.158 -4.813 -6.288 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.188 -0.451 -6.037 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.448 -0.865 -7.224 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.284 -1.820 -5.731 1.00 0.00 H new ATOM 1539 N GLU A 99 1.071 -3.029 -10.473 1.00 0.00 N ATOM 1540 CA GLU A 99 1.589 -2.236 -11.593 1.00 0.00 C ATOM 1541 C GLU A 99 1.711 -0.739 -11.244 1.00 0.00 C ATOM 1542 O GLU A 99 1.939 0.098 -12.118 1.00 0.00 O ATOM 1543 CB GLU A 99 0.762 -2.467 -12.882 1.00 0.00 C ATOM 1544 CG GLU A 99 1.593 -2.271 -14.157 1.00 0.00 C ATOM 1545 CD GLU A 99 0.760 -2.240 -15.436 1.00 0.00 C ATOM 1546 OE1 GLU A 99 -0.347 -1.651 -15.464 1.00 0.00 O ATOM 1547 OE2 GLU A 99 1.252 -2.728 -16.483 1.00 0.00 O ATOM 0 H GLU A 99 1.822 -3.497 -9.966 1.00 0.00 H new ATOM 0 HA GLU A 99 2.601 -2.588 -11.791 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.353 -3.477 -12.871 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -0.084 -1.780 -12.895 1.00 0.00 H new ATOM 0 HG2 GLU A 99 2.152 -1.339 -14.076 1.00 0.00 H new ATOM 0 HG3 GLU A 99 2.324 -3.076 -14.230 1.00 0.00 H new ATOM 1554 N LEU A 100 1.540 -0.348 -9.978 1.00 0.00 N ATOM 1555 CA LEU A 100 1.521 1.058 -9.573 1.00 0.00 C ATOM 1556 C LEU A 100 2.937 1.492 -9.226 1.00 0.00 C ATOM 1557 O LEU A 100 3.309 1.691 -8.067 1.00 0.00 O ATOM 1558 CB LEU A 100 0.529 1.328 -8.434 1.00 0.00 C ATOM 1559 CG LEU A 100 -0.889 1.742 -8.880 1.00 0.00 C ATOM 1560 CD1 LEU A 100 -0.897 3.122 -9.554 1.00 0.00 C ATOM 1561 CD2 LEU A 100 -1.570 0.726 -9.803 1.00 0.00 C ATOM 0 H LEU A 100 1.411 -1.000 -9.204 1.00 0.00 H new ATOM 0 HA LEU A 100 1.163 1.660 -10.408 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.452 0.430 -7.821 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.936 2.114 -7.798 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.466 1.782 -7.956 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.914 3.375 -9.853 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.527 3.871 -8.854 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.255 3.101 -10.435 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.562 1.088 -10.073 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.973 0.597 -10.706 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.660 -0.230 -9.288 1.00 0.00 H new ATOM 1573 N PHE A 101 3.741 1.647 -10.267 1.00 0.00 N ATOM 1574 CA PHE A 101 5.135 1.986 -10.138 1.00 0.00 C ATOM 1575 C PHE A 101 5.307 3.392 -9.587 1.00 0.00 C ATOM 1576 O PHE A 101 5.989 3.529 -8.588 1.00 0.00 O ATOM 1577 CB PHE A 101 5.860 1.774 -11.473 1.00 0.00 C ATOM 1578 CG PHE A 101 5.601 0.405 -12.079 1.00 0.00 C ATOM 1579 CD1 PHE A 101 5.741 -0.760 -11.296 1.00 0.00 C ATOM 1580 CD2 PHE A 101 5.124 0.304 -13.398 1.00 0.00 C ATOM 1581 CE1 PHE A 101 5.361 -2.007 -11.821 1.00 0.00 C ATOM 1582 CE2 PHE A 101 4.782 -0.950 -13.928 1.00 0.00 C ATOM 1583 CZ PHE A 101 4.888 -2.104 -13.138 1.00 0.00 C ATOM 0 H PHE A 101 3.432 1.538 -11.233 1.00 0.00 H new ATOM 0 HA PHE A 101 5.598 1.317 -9.413 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.544 2.543 -12.178 1.00 0.00 H new ATOM 0 HB3 PHE A 101 6.932 1.901 -11.322 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.140 -0.694 -10.294 1.00 0.00 H new ATOM 0 HD2 PHE A 101 5.021 1.192 -14.004 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.433 -2.894 -11.208 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.436 -1.026 -14.948 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.606 -3.065 -13.543 1.00 0.00 H new ATOM 1593 N ALA A 102 4.652 4.420 -10.131 1.00 0.00 N ATOM 1594 CA ALA A 102 4.863 5.804 -9.697 1.00 0.00 C ATOM 1595 C ALA A 102 4.904 6.015 -8.167 1.00 0.00 C ATOM 1596 O ALA A 102 5.835 6.677 -7.696 1.00 0.00 O ATOM 1597 CB ALA A 102 3.836 6.705 -10.367 1.00 0.00 C ATOM 0 H ALA A 102 3.966 4.319 -10.879 1.00 0.00 H new ATOM 0 HA ALA A 102 5.868 6.077 -10.019 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.991 7.735 -10.046 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.948 6.642 -11.449 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.833 6.384 -10.086 1.00 0.00 H new ATOM 1603 N PRO A 103 3.954 5.490 -7.368 1.00 0.00 N ATOM 1604 CA PRO A 103 4.021 5.555 -5.911 1.00 0.00 C ATOM 1605 C PRO A 103 5.107 4.645 -5.304 1.00 0.00 C ATOM 1606 O PRO A 103 5.783 5.095 -4.379 1.00 0.00 O ATOM 1607 CB PRO A 103 2.617 5.217 -5.408 1.00 0.00 C ATOM 1608 CG PRO A 103 1.991 4.441 -6.555 1.00 0.00 C ATOM 1609 CD PRO A 103 2.667 4.975 -7.797 1.00 0.00 C ATOM 0 HA PRO A 103 4.323 6.552 -5.590 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.653 4.621 -4.496 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.048 6.118 -5.178 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.156 3.369 -6.444 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.913 4.595 -6.594 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.791 4.188 -8.541 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.068 5.760 -8.259 1.00 0.00 H new ATOM 1617 N ALA A 104 5.319 3.421 -5.811 1.00 0.00 N ATOM 1618 CA ALA A 104 6.440 2.546 -5.436 1.00 0.00 C ATOM 1619 C ALA A 104 7.754 3.328 -5.593 1.00 0.00 C ATOM 1620 O ALA A 104 8.535 3.403 -4.653 1.00 0.00 O ATOM 1621 CB ALA A 104 6.425 1.287 -6.320 1.00 0.00 C ATOM 0 H ALA A 104 4.703 3.003 -6.508 1.00 0.00 H new ATOM 0 HA ALA A 104 6.348 2.228 -4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.256 0.638 -6.043 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.485 0.754 -6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.524 1.576 -7.366 1.00 0.00 H new ATOM 1627 N THR A 105 7.969 3.991 -6.728 1.00 0.00 N ATOM 1628 CA THR A 105 9.174 4.742 -7.053 1.00 0.00 C ATOM 1629 C THR A 105 9.311 5.974 -6.153 1.00 0.00 C ATOM 1630 O THR A 105 10.416 6.389 -5.800 1.00 0.00 O ATOM 1631 CB THR A 105 9.046 5.206 -8.515 1.00 0.00 C ATOM 1632 OG1 THR A 105 8.692 4.130 -9.347 1.00 0.00 O ATOM 1633 CG2 THR A 105 10.275 5.916 -9.081 1.00 0.00 C ATOM 0 H THR A 105 7.277 4.019 -7.476 1.00 0.00 H new ATOM 0 HA THR A 105 10.051 4.112 -6.904 1.00 0.00 H new ATOM 0 HB THR A 105 8.255 5.956 -8.499 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.744 3.917 -9.221 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.085 6.203 -10.115 1.00 0.00 H new ATOM 0 HG22 THR A 105 10.485 6.807 -8.490 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.133 5.245 -9.042 1.00 0.00 H new ATOM 1641 N LEU A 106 8.193 6.614 -5.806 1.00 0.00 N ATOM 1642 CA LEU A 106 8.188 7.793 -4.952 1.00 0.00 C ATOM 1643 C LEU A 106 8.636 7.408 -3.542 1.00 0.00 C ATOM 1644 O LEU A 106 9.261 8.205 -2.842 1.00 0.00 O ATOM 1645 CB LEU A 106 6.778 8.396 -4.971 1.00 0.00 C ATOM 1646 CG LEU A 106 6.519 9.523 -3.959 1.00 0.00 C ATOM 1647 CD1 LEU A 106 7.427 10.741 -4.155 1.00 0.00 C ATOM 1648 CD2 LEU A 106 5.064 9.969 -4.084 1.00 0.00 C ATOM 0 H LEU A 106 7.264 6.324 -6.113 1.00 0.00 H new ATOM 0 HA LEU A 106 8.888 8.545 -5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.581 8.780 -5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.059 7.597 -4.789 1.00 0.00 H new ATOM 0 HG LEU A 106 6.737 9.120 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.189 11.497 -3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.469 10.439 -4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.270 11.155 -5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.866 10.769 -3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.880 10.331 -5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.406 9.126 -3.875 1.00 0.00 H new ATOM 1660 N LEU A 107 8.311 6.190 -3.118 1.00 0.00 N ATOM 1661 CA LEU A 107 8.748 5.631 -1.846 1.00 0.00 C ATOM 1662 C LEU A 107 10.180 5.106 -1.943 1.00 0.00 C ATOM 1663 O LEU A 107 10.934 5.302 -0.993 1.00 0.00 O ATOM 1664 CB LEU A 107 7.801 4.504 -1.420 1.00 0.00 C ATOM 1665 CG LEU A 107 6.374 4.980 -1.092 1.00 0.00 C ATOM 1666 CD1 LEU A 107 5.460 3.756 -1.077 1.00 0.00 C ATOM 1667 CD2 LEU A 107 6.292 5.755 0.232 1.00 0.00 C ATOM 0 H LEU A 107 7.726 5.554 -3.660 1.00 0.00 H new ATOM 0 HA LEU A 107 8.726 6.422 -1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.752 3.763 -2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.217 4.004 -0.545 1.00 0.00 H new ATOM 0 HG LEU A 107 6.054 5.685 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.441 4.066 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.481 3.275 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.806 3.053 -0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.262 6.065 0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.624 5.115 1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.931 6.636 0.178 1.00 0.00 H new ATOM 1679 N LEU A 108 10.557 4.426 -3.030 1.00 0.00 N ATOM 1680 CA LEU A 108 11.865 3.806 -3.251 1.00 0.00 C ATOM 1681 C LEU A 108 12.107 3.678 -4.769 1.00 0.00 C ATOM 1682 O LEU A 108 11.679 2.701 -5.387 1.00 0.00 O ATOM 1683 CB LEU A 108 11.924 2.425 -2.577 1.00 0.00 C ATOM 1684 CG LEU A 108 12.759 2.341 -1.290 1.00 0.00 C ATOM 1685 CD1 LEU A 108 12.416 1.042 -0.543 1.00 0.00 C ATOM 1686 CD2 LEU A 108 14.262 2.385 -1.607 1.00 0.00 C ATOM 0 H LEU A 108 9.926 4.287 -3.819 1.00 0.00 H new ATOM 0 HA LEU A 108 12.644 4.428 -2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.906 2.110 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.325 1.709 -3.294 1.00 0.00 H new ATOM 0 HG LEU A 108 12.521 3.199 -0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.007 0.981 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 108 11.356 1.037 -0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.641 0.186 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 108 14.831 2.324 -0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 108 14.523 1.544 -2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 108 14.499 3.318 -2.118 1.00 0.00 H new ATOM 1698 N PRO A 109 12.804 4.634 -5.401 1.00 0.00 N ATOM 1699 CA PRO A 109 13.029 4.655 -6.847 1.00 0.00 C ATOM 1700 C PRO A 109 14.067 3.610 -7.276 1.00 0.00 C ATOM 1701 O PRO A 109 14.165 3.276 -8.458 1.00 0.00 O ATOM 1702 CB PRO A 109 13.529 6.065 -7.159 1.00 0.00 C ATOM 1703 CG PRO A 109 14.164 6.530 -5.849 1.00 0.00 C ATOM 1704 CD PRO A 109 13.407 5.780 -4.759 1.00 0.00 C ATOM 0 HA PRO A 109 12.115 4.411 -7.389 1.00 0.00 H new ATOM 0 HB2 PRO A 109 14.253 6.061 -7.974 1.00 0.00 H new ATOM 0 HB3 PRO A 109 12.712 6.720 -7.461 1.00 0.00 H new ATOM 0 HG2 PRO A 109 15.229 6.298 -5.822 1.00 0.00 H new ATOM 0 HG3 PRO A 109 14.069 7.609 -5.725 1.00 0.00 H new ATOM 0 HD2 PRO A 109 14.081 5.469 -3.961 1.00 0.00 H new ATOM 0 HD3 PRO A 109 12.647 6.416 -4.305 1.00 0.00 H new ATOM 1712 N ASP A 110 14.846 3.104 -6.320 1.00 0.00 N ATOM 1713 CA ASP A 110 15.741 1.968 -6.485 1.00 0.00 C ATOM 1714 C ASP A 110 14.930 0.679 -6.589 1.00 0.00 C ATOM 1715 O ASP A 110 15.190 -0.144 -7.462 1.00 0.00 O ATOM 1716 CB ASP A 110 16.657 1.837 -5.258 1.00 0.00 C ATOM 1717 CG ASP A 110 17.973 2.607 -5.312 1.00 0.00 C ATOM 1718 OD1 ASP A 110 18.222 3.416 -6.232 1.00 0.00 O ATOM 1719 OD2 ASP A 110 18.796 2.390 -4.388 1.00 0.00 O ATOM 0 H ASP A 110 14.869 3.491 -5.377 1.00 0.00 H new ATOM 0 HA ASP A 110 16.330 2.128 -7.388 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.102 2.168 -4.380 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.884 0.781 -5.112 1.00 0.00 H new ATOM 1724 N ALA A 111 13.983 0.477 -5.663 1.00 0.00 N ATOM 1725 CA ALA A 111 13.338 -0.815 -5.459 1.00 0.00 C ATOM 1726 C ALA A 111 12.498 -1.210 -6.663 1.00 0.00 C ATOM 1727 O ALA A 111 12.498 -2.377 -7.052 1.00 0.00 O ATOM 1728 CB ALA A 111 12.440 -0.768 -4.224 1.00 0.00 C ATOM 0 H ALA A 111 13.647 1.209 -5.037 1.00 0.00 H new ATOM 0 HA ALA A 111 14.125 -1.556 -5.320 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.964 -1.739 -4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 111 13.040 -0.527 -3.347 1.00 0.00 H new ATOM 0 HB3 ALA A 111 11.674 -0.005 -4.360 1.00 0.00 H new ATOM 1734 N VAL A 112 11.741 -0.262 -7.215 1.00 0.00 N ATOM 1735 CA VAL A 112 10.971 -0.467 -8.432 1.00 0.00 C ATOM 1736 C VAL A 112 11.919 -1.014 -9.517 1.00 0.00 C ATOM 1737 O VAL A 112 13.025 -0.487 -9.675 1.00 0.00 O ATOM 1738 CB VAL A 112 10.266 0.848 -8.816 1.00 0.00 C ATOM 1739 CG1 VAL A 112 11.263 2.005 -8.992 1.00 0.00 C ATOM 1740 CG2 VAL A 112 9.410 0.692 -10.078 1.00 0.00 C ATOM 0 H VAL A 112 11.647 0.675 -6.824 1.00 0.00 H new ATOM 0 HA VAL A 112 10.179 -1.204 -8.298 1.00 0.00 H new ATOM 0 HB VAL A 112 9.605 1.093 -7.985 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.723 2.913 -9.262 1.00 0.00 H new ATOM 0 HG12 VAL A 112 11.801 2.167 -8.058 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.973 1.757 -9.781 1.00 0.00 H new ATOM 0 HG21 VAL A 112 8.931 1.643 -10.313 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.043 0.389 -10.912 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.646 -0.067 -9.908 1.00 0.00 H new ATOM 1750 N PRO A 113 11.537 -2.068 -10.257 1.00 0.00 N ATOM 1751 CA PRO A 113 12.410 -2.706 -11.233 1.00 0.00 C ATOM 1752 C PRO A 113 12.534 -1.886 -12.537 1.00 0.00 C ATOM 1753 O PRO A 113 12.412 -2.436 -13.632 1.00 0.00 O ATOM 1754 CB PRO A 113 11.837 -4.120 -11.410 1.00 0.00 C ATOM 1755 CG PRO A 113 10.347 -3.918 -11.164 1.00 0.00 C ATOM 1756 CD PRO A 113 10.333 -2.864 -10.062 1.00 0.00 C ATOM 0 HA PRO A 113 13.446 -2.762 -10.898 1.00 0.00 H new ATOM 0 HB2 PRO A 113 12.032 -4.513 -12.408 1.00 0.00 H new ATOM 0 HB3 PRO A 113 12.272 -4.824 -10.700 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.831 -3.574 -12.060 1.00 0.00 H new ATOM 0 HG3 PRO A 113 9.859 -4.840 -10.849 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.439 -2.243 -10.126 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.328 -3.329 -9.076 1.00 0.00 H new