USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 847 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 88 TYR OH : rot 180:sc= -0.185 USER MOD Set 1.2: A 91 LYS NZ :NH3+ 144:sc= -2.69! (180deg=-4.46!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -167:sc= -1.74 (180deg=-2.45!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 71:sc= 0.821 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -7.02! C(o=-7!,f=-4.3!) USER MOD Single : A 38 THR OG1 : rot 4:sc= 1.05 USER MOD Single : A 40 SER OG : rot 44:sc= -1.23! USER MOD Single : A 42 MET CE :methyl -165:sc= 0 (180deg=-0.244) USER MOD Single : A 43 GLN : amide:sc= -0.141 K(o=-0.14,f=-2.3!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.67 K(o=-0.67,f=-5.5!) USER MOD Single : A 62 ASN : amide:sc= -3.57! C(o=-3.6!,f=-7.6!) USER MOD Single : A 68 SER OG : rot 125:sc= -8.33! USER MOD Single : A 69 TYR OH : rot -58:sc= -0.486 USER MOD Single : A 79 ASN : amide:sc= -10.5! C(o=-10!,f=-14!) USER MOD Single : A 86 THR OG1 : rot -116:sc= -1.72! USER MOD Single : A 90 SER OG : rot 94:sc= -4.63! USER MOD Single : A 95 THR OG1 : rot -159:sc= -0.807 USER MOD Single : A 97 TYR OH : rot 61:sc= 0.711 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.425 X(o=-0.42,f=0) USER MOD Single : A 104 THR OG1 : rot -33:sc= 1.06 USER MOD Single : A 105 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.223) USER MOD Single : A 110 SER OG : rot 20:sc= -6.71! USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 8 6.502 12.484 7.337 1.00 0.00 N ATOM 109 CA ARG A 8 6.714 11.738 6.067 1.00 0.00 C ATOM 110 C ARG A 8 5.985 10.399 6.132 1.00 0.00 C ATOM 111 O ARG A 8 6.176 9.621 7.046 1.00 0.00 O ATOM 112 CB ARG A 8 8.226 11.528 5.975 1.00 0.00 C ATOM 113 CG ARG A 8 8.937 12.876 6.107 1.00 0.00 C ATOM 114 CD ARG A 8 9.627 13.220 4.786 1.00 0.00 C ATOM 115 NE ARG A 8 11.039 12.786 4.971 1.00 0.00 N ATOM 116 CZ ARG A 8 12.015 13.543 4.552 1.00 0.00 C ATOM 117 NH1 ARG A 8 11.960 14.084 3.367 1.00 0.00 N ATOM 118 NH2 ARG A 8 13.049 13.757 5.319 1.00 0.00 N ATOM 0 HA ARG A 8 6.331 12.272 5.198 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.558 10.851 6.762 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.482 11.061 5.024 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.219 13.654 6.368 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.670 12.835 6.913 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.160 12.701 3.949 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.566 14.287 4.574 1.00 0.00 H new ATOM 0 HE ARG A 8 11.243 11.896 5.426 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.153 13.915 2.766 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.724 14.676 3.041 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.093 13.332 6.245 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.813 14.349 4.992 1.00 0.00 H new ATOM 132 N LEU A 9 5.148 10.121 5.175 1.00 0.00 N ATOM 133 CA LEU A 9 4.414 8.839 5.194 1.00 0.00 C ATOM 134 C LEU A 9 5.109 7.833 4.281 1.00 0.00 C ATOM 135 O LEU A 9 5.931 8.194 3.456 1.00 0.00 O ATOM 136 CB LEU A 9 3.015 9.170 4.678 1.00 0.00 C ATOM 137 CG LEU A 9 2.227 9.894 5.772 1.00 0.00 C ATOM 138 CD1 LEU A 9 2.257 9.066 7.058 1.00 0.00 C ATOM 139 CD2 LEU A 9 2.858 11.264 6.036 1.00 0.00 C ATOM 0 H LEU A 9 4.944 10.729 4.382 1.00 0.00 H new ATOM 0 HA LEU A 9 4.376 8.394 6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.082 9.796 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.498 8.256 4.386 1.00 0.00 H new ATOM 0 HG LEU A 9 1.195 10.024 5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.696 9.583 7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.808 8.090 6.873 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.289 8.934 7.382 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.296 11.779 6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.891 11.133 6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.837 11.857 5.121 1.00 0.00 H new ATOM 151 N ARG A 10 4.795 6.577 4.414 1.00 0.00 N ATOM 152 CA ARG A 10 5.456 5.570 3.546 1.00 0.00 C ATOM 153 C ARG A 10 4.457 4.500 3.106 1.00 0.00 C ATOM 154 O ARG A 10 3.777 3.899 3.915 1.00 0.00 O ATOM 155 CB ARG A 10 6.543 4.944 4.421 1.00 0.00 C ATOM 156 CG ARG A 10 7.896 5.576 4.092 1.00 0.00 C ATOM 157 CD ARG A 10 8.211 6.670 5.114 1.00 0.00 C ATOM 158 NE ARG A 10 9.186 6.052 6.054 1.00 0.00 N ATOM 159 CZ ARG A 10 9.565 6.704 7.119 1.00 0.00 C ATOM 160 NH1 ARG A 10 9.819 7.982 7.043 1.00 0.00 N ATOM 161 NH2 ARG A 10 9.688 6.078 8.258 1.00 0.00 N ATOM 0 H ARG A 10 4.116 6.207 5.079 1.00 0.00 H new ATOM 0 HA ARG A 10 5.861 6.020 2.639 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.307 5.094 5.474 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.583 3.868 4.254 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.677 4.816 4.105 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.878 5.997 3.087 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.633 7.551 4.631 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.310 6.993 5.636 1.00 0.00 H new ATOM 0 HE ARG A 10 9.557 5.121 5.866 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.721 8.469 6.152 1.00 0.00 H new ATOM 0 HH12 ARG A 10 10.115 8.493 7.874 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.488 5.079 8.315 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.984 6.587 9.091 1.00 0.00 H new ATOM 175 N VAL A 11 4.377 4.247 1.831 1.00 0.00 N ATOM 176 CA VAL A 11 3.438 3.201 1.330 1.00 0.00 C ATOM 177 C VAL A 11 4.242 1.990 0.846 1.00 0.00 C ATOM 178 O VAL A 11 4.644 1.911 -0.301 1.00 0.00 O ATOM 179 CB VAL A 11 2.690 3.858 0.166 1.00 0.00 C ATOM 180 CG1 VAL A 11 1.682 4.872 0.711 1.00 0.00 C ATOM 181 CG2 VAL A 11 3.690 4.578 -0.741 1.00 0.00 C ATOM 0 H VAL A 11 4.922 4.720 1.110 1.00 0.00 H new ATOM 0 HA VAL A 11 2.748 2.849 2.097 1.00 0.00 H new ATOM 0 HB VAL A 11 2.164 3.092 -0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.151 5.339 -0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.968 4.363 1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.208 5.638 1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.158 5.046 -1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.215 5.343 -0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.410 3.859 -1.132 1.00 0.00 H new ATOM 191 N LEU A 12 4.504 1.049 1.712 1.00 0.00 N ATOM 192 CA LEU A 12 5.300 -0.135 1.287 1.00 0.00 C ATOM 193 C LEU A 12 4.478 -0.978 0.317 1.00 0.00 C ATOM 194 O LEU A 12 3.729 -1.850 0.711 1.00 0.00 O ATOM 195 CB LEU A 12 5.598 -0.903 2.577 1.00 0.00 C ATOM 196 CG LEU A 12 6.557 -0.079 3.445 1.00 0.00 C ATOM 197 CD1 LEU A 12 7.068 -0.929 4.609 1.00 0.00 C ATOM 198 CD2 LEU A 12 7.748 0.376 2.599 1.00 0.00 C ATOM 0 H LEU A 12 4.204 1.049 2.687 1.00 0.00 H new ATOM 0 HA LEU A 12 6.221 0.136 0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.673 -1.098 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.041 -1.871 2.344 1.00 0.00 H new ATOM 0 HG LEU A 12 6.026 0.789 3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.748 -0.337 5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.225 -1.257 5.217 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.595 -1.800 4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.430 0.962 3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.271 -0.497 2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.393 0.988 1.770 1.00 0.00 H new ATOM 210 N VAL A 13 4.606 -0.711 -0.954 1.00 0.00 N ATOM 211 CA VAL A 13 3.823 -1.479 -1.959 1.00 0.00 C ATOM 212 C VAL A 13 4.699 -2.542 -2.610 1.00 0.00 C ATOM 213 O VAL A 13 5.864 -2.327 -2.876 1.00 0.00 O ATOM 214 CB VAL A 13 3.373 -0.439 -2.988 1.00 0.00 C ATOM 215 CG1 VAL A 13 2.233 -1.015 -3.827 1.00 0.00 C ATOM 216 CG2 VAL A 13 2.887 0.822 -2.267 1.00 0.00 C ATOM 0 H VAL A 13 5.220 0.007 -1.339 1.00 0.00 H new ATOM 0 HA VAL A 13 2.976 -2.001 -1.514 1.00 0.00 H new ATOM 0 HB VAL A 13 4.212 -0.185 -3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.911 -0.276 -4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.578 -1.911 -4.343 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.396 -1.270 -3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.567 1.561 -3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.049 0.570 -1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.699 1.234 -1.668 1.00 0.00 H new ATOM 226 N VAL A 14 4.148 -3.693 -2.864 1.00 0.00 N ATOM 227 CA VAL A 14 4.950 -4.771 -3.491 1.00 0.00 C ATOM 228 C VAL A 14 4.040 -5.710 -4.293 1.00 0.00 C ATOM 229 O VAL A 14 2.914 -5.977 -3.920 1.00 0.00 O ATOM 230 CB VAL A 14 5.617 -5.494 -2.316 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.786 -4.652 -1.802 1.00 0.00 C ATOM 232 CG2 VAL A 14 4.612 -5.703 -1.183 1.00 0.00 C ATOM 0 H VAL A 14 3.177 -3.932 -2.664 1.00 0.00 H new ATOM 0 HA VAL A 14 5.690 -4.393 -4.197 1.00 0.00 H new ATOM 0 HB VAL A 14 5.977 -6.465 -2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.263 -5.163 -0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.512 -4.510 -2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.417 -3.681 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.099 -6.218 -0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.242 -4.736 -0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.777 -6.304 -1.543 1.00 0.00 H new ATOM 242 N GLU A 15 4.516 -6.197 -5.405 1.00 0.00 N ATOM 243 CA GLU A 15 3.678 -7.104 -6.244 1.00 0.00 C ATOM 244 C GLU A 15 4.520 -7.754 -7.347 1.00 0.00 C ATOM 245 O GLU A 15 4.753 -8.947 -7.332 1.00 0.00 O ATOM 246 CB GLU A 15 2.608 -6.193 -6.844 1.00 0.00 C ATOM 247 CG GLU A 15 1.947 -6.880 -8.043 1.00 0.00 C ATOM 248 CD GLU A 15 1.018 -5.890 -8.752 1.00 0.00 C ATOM 249 OE1 GLU A 15 1.478 -4.811 -9.085 1.00 0.00 O ATOM 250 OE2 GLU A 15 -0.137 -6.229 -8.951 1.00 0.00 O ATOM 0 H GLU A 15 5.449 -6.007 -5.771 1.00 0.00 H new ATOM 0 HA GLU A 15 3.247 -7.922 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.857 -5.956 -6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.055 -5.249 -7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.709 -7.239 -8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.382 -7.751 -7.710 1.00 0.00 H new ATOM 257 N ASP A 16 4.979 -6.995 -8.308 1.00 0.00 N ATOM 258 CA ASP A 16 5.794 -7.613 -9.386 1.00 0.00 C ATOM 259 C ASP A 16 6.614 -6.568 -10.157 1.00 0.00 C ATOM 260 O ASP A 16 6.157 -5.973 -11.112 1.00 0.00 O ATOM 261 CB ASP A 16 4.783 -8.313 -10.295 1.00 0.00 C ATOM 262 CG ASP A 16 4.558 -9.733 -9.781 1.00 0.00 C ATOM 263 OD1 ASP A 16 5.521 -10.482 -9.732 1.00 0.00 O ATOM 264 OD2 ASP A 16 3.430 -10.050 -9.442 1.00 0.00 O ATOM 0 H ASP A 16 4.826 -5.990 -8.390 1.00 0.00 H new ATOM 0 HA ASP A 16 6.530 -8.308 -8.982 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.842 -7.763 -10.307 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.151 -8.337 -11.321 1.00 0.00 H new ATOM 269 N GLU A 17 7.838 -6.377 -9.745 1.00 0.00 N ATOM 270 CA GLU A 17 8.758 -5.412 -10.425 1.00 0.00 C ATOM 271 C GLU A 17 8.042 -4.155 -10.946 1.00 0.00 C ATOM 272 O GLU A 17 6.985 -3.776 -10.483 1.00 0.00 O ATOM 273 CB GLU A 17 9.357 -6.205 -11.589 1.00 0.00 C ATOM 274 CG GLU A 17 10.820 -5.799 -11.782 1.00 0.00 C ATOM 275 CD GLU A 17 11.041 -5.357 -13.229 1.00 0.00 C ATOM 276 OE1 GLU A 17 10.080 -4.939 -13.853 1.00 0.00 O ATOM 277 OE2 GLU A 17 12.168 -5.444 -13.688 1.00 0.00 O ATOM 0 H GLU A 17 8.251 -6.860 -8.947 1.00 0.00 H new ATOM 0 HA GLU A 17 9.505 -5.037 -9.725 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.288 -7.274 -11.388 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.792 -6.015 -12.502 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.076 -4.988 -11.100 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.475 -6.636 -11.542 1.00 0.00 H new ATOM 284 N SER A 18 8.665 -3.505 -11.898 1.00 0.00 N ATOM 285 CA SER A 18 8.128 -2.240 -12.500 1.00 0.00 C ATOM 286 C SER A 18 6.604 -2.108 -12.386 1.00 0.00 C ATOM 287 O SER A 18 6.098 -1.054 -12.055 1.00 0.00 O ATOM 288 CB SER A 18 8.539 -2.312 -13.970 1.00 0.00 C ATOM 289 OG SER A 18 7.705 -1.453 -14.736 1.00 0.00 O ATOM 0 H SER A 18 9.553 -3.808 -12.297 1.00 0.00 H new ATOM 0 HA SER A 18 8.524 -1.371 -11.974 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.583 -2.018 -14.082 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.455 -3.336 -14.333 1.00 0.00 H new ATOM 0 HG SER A 18 7.968 -1.497 -15.679 1.00 0.00 H new ATOM 295 N MET A 19 5.862 -3.141 -12.673 1.00 0.00 N ATOM 296 CA MET A 19 4.374 -3.022 -12.593 1.00 0.00 C ATOM 297 C MET A 19 3.975 -2.287 -11.322 1.00 0.00 C ATOM 298 O MET A 19 2.940 -1.657 -11.250 1.00 0.00 O ATOM 299 CB MET A 19 3.852 -4.455 -12.573 1.00 0.00 C ATOM 300 CG MET A 19 2.464 -4.490 -13.209 1.00 0.00 C ATOM 301 SD MET A 19 2.258 -6.035 -14.125 1.00 0.00 S ATOM 302 CE MET A 19 0.578 -6.399 -13.561 1.00 0.00 C ATOM 0 H MET A 19 6.214 -4.055 -12.957 1.00 0.00 H new ATOM 0 HA MET A 19 3.962 -2.458 -13.430 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.532 -5.110 -13.117 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.806 -4.824 -11.548 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.697 -4.407 -12.439 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.337 -3.639 -13.878 1.00 0.00 H new ATOM 0 HE1 MET A 19 0.323 -7.428 -13.817 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.521 -6.269 -12.480 1.00 0.00 H new ATOM 0 HE3 MET A 19 -0.124 -5.720 -14.046 1.00 0.00 H new ATOM 312 N ILE A 20 4.796 -2.359 -10.325 1.00 0.00 N ATOM 313 CA ILE A 20 4.491 -1.665 -9.054 1.00 0.00 C ATOM 314 C ILE A 20 5.311 -0.379 -8.973 1.00 0.00 C ATOM 315 O ILE A 20 4.980 0.545 -8.257 1.00 0.00 O ATOM 316 CB ILE A 20 4.935 -2.652 -7.988 1.00 0.00 C ATOM 317 CG1 ILE A 20 4.451 -2.178 -6.618 1.00 0.00 C ATOM 318 CG2 ILE A 20 6.458 -2.735 -7.998 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.187 -2.945 -6.231 1.00 0.00 C ATOM 0 H ILE A 20 5.676 -2.875 -10.335 1.00 0.00 H new ATOM 0 HA ILE A 20 3.443 -1.385 -8.949 1.00 0.00 H new ATOM 0 HB ILE A 20 4.512 -3.636 -8.192 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.229 -2.337 -5.871 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.246 -1.108 -6.643 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.789 -3.441 -7.236 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.798 -3.072 -8.977 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.877 -1.751 -7.787 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.841 -2.607 -5.254 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.410 -2.764 -6.973 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.407 -4.012 -6.189 1.00 0.00 H new ATOM 331 N ALA A 21 6.385 -0.323 -9.710 1.00 0.00 N ATOM 332 CA ALA A 21 7.244 0.890 -9.694 1.00 0.00 C ATOM 333 C ALA A 21 6.392 2.137 -9.923 1.00 0.00 C ATOM 334 O ALA A 21 5.879 2.719 -8.991 1.00 0.00 O ATOM 335 CB ALA A 21 8.217 0.683 -10.847 1.00 0.00 C ATOM 0 H ALA A 21 6.705 -1.071 -10.326 1.00 0.00 H new ATOM 0 HA ALA A 21 7.758 1.030 -8.743 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.893 1.536 -10.910 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.794 -0.226 -10.677 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.661 0.591 -11.780 1.00 0.00 H new ATOM 341 N MET A 22 6.225 2.545 -11.156 1.00 0.00 N ATOM 342 CA MET A 22 5.388 3.750 -11.431 1.00 0.00 C ATOM 343 C MET A 22 4.154 3.713 -10.533 1.00 0.00 C ATOM 344 O MET A 22 3.630 4.731 -10.125 1.00 0.00 O ATOM 345 CB MET A 22 4.992 3.636 -12.904 1.00 0.00 C ATOM 346 CG MET A 22 4.411 4.967 -13.380 1.00 0.00 C ATOM 347 SD MET A 22 4.869 5.241 -15.108 1.00 0.00 S ATOM 348 CE MET A 22 6.454 6.057 -14.796 1.00 0.00 C ATOM 0 H MET A 22 6.630 2.098 -11.979 1.00 0.00 H new ATOM 0 HA MET A 22 5.911 4.686 -11.234 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.861 3.370 -13.506 1.00 0.00 H new ATOM 0 HB3 MET A 22 4.259 2.840 -13.034 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.326 4.960 -13.277 1.00 0.00 H new ATOM 0 HG3 MET A 22 4.785 5.782 -12.760 1.00 0.00 H new ATOM 0 HE1 MET A 22 6.921 6.319 -15.745 1.00 0.00 H new ATOM 0 HE2 MET A 22 6.289 6.961 -14.211 1.00 0.00 H new ATOM 0 HE3 MET A 22 7.108 5.382 -14.244 1.00 0.00 H new ATOM 358 N LEU A 23 3.702 2.534 -10.211 1.00 0.00 N ATOM 359 CA LEU A 23 2.515 2.399 -9.325 1.00 0.00 C ATOM 360 C LEU A 23 2.735 3.145 -8.002 1.00 0.00 C ATOM 361 O LEU A 23 1.794 3.534 -7.339 1.00 0.00 O ATOM 362 CB LEU A 23 2.413 0.900 -9.066 1.00 0.00 C ATOM 363 CG LEU A 23 0.947 0.483 -9.028 1.00 0.00 C ATOM 364 CD1 LEU A 23 0.848 -1.016 -9.304 1.00 0.00 C ATOM 365 CD2 LEU A 23 0.367 0.788 -7.645 1.00 0.00 C ATOM 0 H LEU A 23 4.107 1.653 -10.526 1.00 0.00 H new ATOM 0 HA LEU A 23 1.614 2.817 -9.774 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.937 0.350 -9.847 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.896 0.651 -8.121 1.00 0.00 H new ATOM 0 HG LEU A 23 0.387 1.034 -9.784 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.198 -1.322 -9.279 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.266 -1.233 -10.287 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.405 -1.564 -8.544 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.681 0.490 -7.616 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.922 0.235 -6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.446 1.857 -7.445 1.00 0.00 H new ATOM 377 N ILE A 24 3.967 3.332 -7.600 1.00 0.00 N ATOM 378 CA ILE A 24 4.224 4.033 -6.304 1.00 0.00 C ATOM 379 C ILE A 24 4.722 5.467 -6.526 1.00 0.00 C ATOM 380 O ILE A 24 4.267 6.392 -5.885 1.00 0.00 O ATOM 381 CB ILE A 24 5.292 3.188 -5.598 1.00 0.00 C ATOM 382 CG1 ILE A 24 5.263 3.489 -4.099 1.00 0.00 C ATOM 383 CG2 ILE A 24 6.684 3.514 -6.152 1.00 0.00 C ATOM 384 CD1 ILE A 24 5.813 2.287 -3.328 1.00 0.00 C ATOM 0 H ILE A 24 4.800 3.033 -8.108 1.00 0.00 H new ATOM 0 HA ILE A 24 3.313 4.124 -5.713 1.00 0.00 H new ATOM 0 HB ILE A 24 5.080 2.133 -5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.858 4.376 -3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.243 3.704 -3.780 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.431 2.906 -5.641 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.710 3.298 -7.220 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.902 4.569 -5.989 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.793 2.500 -2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.199 1.410 -3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.839 2.093 -3.640 1.00 0.00 H new ATOM 396 N GLU A 25 5.657 5.661 -7.414 1.00 0.00 N ATOM 397 CA GLU A 25 6.178 7.040 -7.650 1.00 0.00 C ATOM 398 C GLU A 25 5.075 7.942 -8.210 1.00 0.00 C ATOM 399 O GLU A 25 5.117 9.149 -8.067 1.00 0.00 O ATOM 400 CB GLU A 25 7.306 6.869 -8.665 1.00 0.00 C ATOM 401 CG GLU A 25 8.573 6.416 -7.937 1.00 0.00 C ATOM 402 CD GLU A 25 9.576 7.570 -7.898 1.00 0.00 C ATOM 403 OE1 GLU A 25 9.140 8.703 -7.780 1.00 0.00 O ATOM 404 OE2 GLU A 25 10.763 7.301 -7.986 1.00 0.00 O ATOM 0 H GLU A 25 6.082 4.930 -7.984 1.00 0.00 H new ATOM 0 HA GLU A 25 6.527 7.511 -6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.024 6.135 -9.420 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.488 7.809 -9.186 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.329 6.097 -6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.010 5.557 -8.445 1.00 0.00 H new ATOM 411 N ASP A 26 4.087 7.372 -8.844 1.00 0.00 N ATOM 412 CA ASP A 26 2.987 8.209 -9.403 1.00 0.00 C ATOM 413 C ASP A 26 2.078 8.697 -8.271 1.00 0.00 C ATOM 414 O ASP A 26 1.705 9.852 -8.221 1.00 0.00 O ATOM 415 CB ASP A 26 2.226 7.284 -10.357 1.00 0.00 C ATOM 416 CG ASP A 26 1.354 6.319 -9.554 1.00 0.00 C ATOM 417 OD1 ASP A 26 1.887 5.664 -8.673 1.00 0.00 O ATOM 418 OD2 ASP A 26 0.168 6.253 -9.830 1.00 0.00 O ATOM 0 H ASP A 26 3.994 6.368 -8.999 1.00 0.00 H new ATOM 0 HA ASP A 26 3.356 9.096 -9.917 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.606 7.873 -11.033 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.929 6.725 -10.975 1.00 0.00 H new ATOM 423 N THR A 27 1.727 7.830 -7.357 1.00 0.00 N ATOM 424 CA THR A 27 0.854 8.253 -6.227 1.00 0.00 C ATOM 425 C THR A 27 1.569 9.316 -5.393 1.00 0.00 C ATOM 426 O THR A 27 1.044 10.382 -5.144 1.00 0.00 O ATOM 427 CB THR A 27 0.619 6.990 -5.395 1.00 0.00 C ATOM 428 OG1 THR A 27 1.394 5.921 -5.920 1.00 0.00 O ATOM 429 CG2 THR A 27 -0.863 6.621 -5.439 1.00 0.00 C ATOM 0 H THR A 27 2.008 6.849 -7.346 1.00 0.00 H new ATOM 0 HA THR A 27 -0.086 8.685 -6.572 1.00 0.00 H new ATOM 0 HB THR A 27 0.916 7.175 -4.363 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.342 6.081 -5.732 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.032 5.722 -4.847 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.454 7.441 -5.031 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.162 6.437 -6.471 1.00 0.00 H new ATOM 437 N LEU A 28 2.771 9.036 -4.969 1.00 0.00 N ATOM 438 CA LEU A 28 3.525 10.036 -4.163 1.00 0.00 C ATOM 439 C LEU A 28 3.691 11.321 -4.981 1.00 0.00 C ATOM 440 O LEU A 28 3.750 12.410 -4.445 1.00 0.00 O ATOM 441 CB LEU A 28 4.880 9.368 -3.883 1.00 0.00 C ATOM 442 CG LEU A 28 5.978 10.427 -3.737 1.00 0.00 C ATOM 443 CD1 LEU A 28 7.104 9.882 -2.854 1.00 0.00 C ATOM 444 CD2 LEU A 28 6.536 10.766 -5.121 1.00 0.00 C ATOM 0 H LEU A 28 3.262 8.160 -5.146 1.00 0.00 H new ATOM 0 HA LEU A 28 3.023 10.314 -3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.817 8.772 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.130 8.685 -4.695 1.00 0.00 H new ATOM 0 HG LEU A 28 5.562 11.323 -3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.884 10.637 -2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.707 9.634 -1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.524 8.986 -3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.318 11.519 -5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.953 9.867 -5.575 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.735 11.153 -5.751 1.00 0.00 H new ATOM 456 N CYS A 29 3.762 11.198 -6.278 1.00 0.00 N ATOM 457 CA CYS A 29 3.916 12.406 -7.134 1.00 0.00 C ATOM 458 C CYS A 29 2.806 13.409 -6.817 1.00 0.00 C ATOM 459 O CYS A 29 2.946 14.598 -7.027 1.00 0.00 O ATOM 460 CB CYS A 29 3.787 11.896 -8.568 1.00 0.00 C ATOM 461 SG CYS A 29 5.258 12.374 -9.508 1.00 0.00 S ATOM 0 H CYS A 29 3.720 10.312 -6.782 1.00 0.00 H new ATOM 0 HA CYS A 29 4.866 12.915 -6.971 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.675 10.812 -8.572 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.893 12.310 -9.034 1.00 0.00 H new ATOM 0 HG CYS A 29 5.153 11.940 -10.729 1.00 0.00 H new ATOM 467 N GLU A 30 1.701 12.933 -6.312 1.00 0.00 N ATOM 468 CA GLU A 30 0.577 13.843 -5.978 1.00 0.00 C ATOM 469 C GLU A 30 0.646 14.250 -4.505 1.00 0.00 C ATOM 470 O GLU A 30 0.712 15.418 -4.177 1.00 0.00 O ATOM 471 CB GLU A 30 -0.686 13.028 -6.258 1.00 0.00 C ATOM 472 CG GLU A 30 -1.106 13.227 -7.715 1.00 0.00 C ATOM 473 CD GLU A 30 -1.289 14.720 -7.994 1.00 0.00 C ATOM 474 OE1 GLU A 30 -2.208 15.298 -7.438 1.00 0.00 O ATOM 475 OE2 GLU A 30 -0.508 15.260 -8.760 1.00 0.00 O ATOM 0 H GLU A 30 1.531 11.947 -6.116 1.00 0.00 H new ATOM 0 HA GLU A 30 0.602 14.765 -6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.501 11.972 -6.062 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.489 13.340 -5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.351 12.811 -8.382 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.035 12.693 -7.913 1.00 0.00 H new ATOM 482 N LEU A 31 0.637 13.296 -3.614 1.00 0.00 N ATOM 483 CA LEU A 31 0.707 13.633 -2.163 1.00 0.00 C ATOM 484 C LEU A 31 2.113 14.118 -1.811 1.00 0.00 C ATOM 485 O LEU A 31 2.303 15.212 -1.315 1.00 0.00 O ATOM 486 CB LEU A 31 0.404 12.321 -1.435 1.00 0.00 C ATOM 487 CG LEU A 31 -1.059 11.934 -1.653 1.00 0.00 C ATOM 488 CD1 LEU A 31 -1.197 11.183 -2.978 1.00 0.00 C ATOM 489 CD2 LEU A 31 -1.519 11.030 -0.508 1.00 0.00 C ATOM 0 H LEU A 31 0.584 12.300 -3.827 1.00 0.00 H new ATOM 0 HA LEU A 31 0.010 14.424 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.058 11.530 -1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.606 12.431 -0.369 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.673 12.834 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.240 10.907 -3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.866 11.823 -3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.584 10.282 -2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.562 10.752 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.904 10.131 -0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.420 11.562 0.438 1.00 0.00 H new ATOM 501 N GLY A 32 3.099 13.308 -2.067 1.00 0.00 N ATOM 502 CA GLY A 32 4.498 13.704 -1.754 1.00 0.00 C ATOM 503 C GLY A 32 5.188 12.543 -1.043 1.00 0.00 C ATOM 504 O GLY A 32 6.233 12.086 -1.458 1.00 0.00 O ATOM 0 H GLY A 32 2.995 12.382 -2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.033 13.958 -2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.507 14.593 -1.123 1.00 0.00 H new ATOM 508 N HIS A 33 4.589 12.052 0.012 1.00 0.00 N ATOM 509 CA HIS A 33 5.177 10.905 0.763 1.00 0.00 C ATOM 510 C HIS A 33 6.708 10.990 0.784 1.00 0.00 C ATOM 511 O HIS A 33 7.287 12.036 0.566 1.00 0.00 O ATOM 512 CB HIS A 33 4.710 9.680 -0.018 1.00 0.00 C ATOM 513 CG HIS A 33 3.284 9.364 0.342 1.00 0.00 C ATOM 514 ND1 HIS A 33 2.238 9.562 -0.546 1.00 0.00 N ATOM 515 CD2 HIS A 33 2.715 8.858 1.484 1.00 0.00 C ATOM 516 CE1 HIS A 33 1.105 9.178 0.070 1.00 0.00 C ATOM 517 NE2 HIS A 33 1.339 8.741 1.310 1.00 0.00 N ATOM 0 H HIS A 33 3.708 12.402 0.388 1.00 0.00 H new ATOM 0 HA HIS A 33 4.866 10.883 1.807 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.792 9.866 -1.089 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.350 8.827 0.208 1.00 0.00 H new ATOM 0 HD2 HIS A 33 3.253 8.591 2.381 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.126 9.218 -0.383 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.656 8.396 1.985 1.00 0.00 H new ATOM 525 N GLU A 34 7.368 9.897 1.045 1.00 0.00 N ATOM 526 CA GLU A 34 8.859 9.912 1.068 1.00 0.00 C ATOM 527 C GLU A 34 9.394 8.789 0.177 1.00 0.00 C ATOM 528 O GLU A 34 10.004 9.024 -0.847 1.00 0.00 O ATOM 529 CB GLU A 34 9.241 9.666 2.527 1.00 0.00 C ATOM 530 CG GLU A 34 10.735 9.936 2.711 1.00 0.00 C ATOM 531 CD GLU A 34 11.396 8.720 3.363 1.00 0.00 C ATOM 532 OE1 GLU A 34 10.712 8.017 4.088 1.00 0.00 O ATOM 533 OE2 GLU A 34 12.574 8.512 3.124 1.00 0.00 O ATOM 0 H GLU A 34 6.940 8.993 1.244 1.00 0.00 H new ATOM 0 HA GLU A 34 9.274 10.850 0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.659 10.315 3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.008 8.639 2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.200 10.143 1.747 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.882 10.820 3.332 1.00 0.00 H new ATOM 540 N VAL A 35 9.152 7.570 0.564 1.00 0.00 N ATOM 541 CA VAL A 35 9.620 6.402 -0.236 1.00 0.00 C ATOM 542 C VAL A 35 9.194 5.119 0.474 1.00 0.00 C ATOM 543 O VAL A 35 9.199 5.051 1.688 1.00 0.00 O ATOM 544 CB VAL A 35 11.144 6.514 -0.273 1.00 0.00 C ATOM 545 CG1 VAL A 35 11.708 6.258 1.126 1.00 0.00 C ATOM 546 CG2 VAL A 35 11.704 5.474 -1.245 1.00 0.00 C ATOM 0 H VAL A 35 8.642 7.328 1.414 1.00 0.00 H new ATOM 0 HA VAL A 35 9.203 6.385 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 35 11.429 7.513 -0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.795 6.338 1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.306 6.996 1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.425 5.258 1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.791 5.551 -1.274 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.420 4.475 -0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.301 5.653 -2.242 1.00 0.00 H new ATOM 556 N ALA A 36 8.812 4.104 -0.250 1.00 0.00 N ATOM 557 CA ALA A 36 8.381 2.860 0.435 1.00 0.00 C ATOM 558 C ALA A 36 8.870 1.602 -0.293 1.00 0.00 C ATOM 559 O ALA A 36 10.057 1.361 -0.385 1.00 0.00 O ATOM 560 CB ALA A 36 6.864 2.924 0.453 1.00 0.00 C ATOM 0 H ALA A 36 8.780 4.083 -1.269 1.00 0.00 H new ATOM 0 HA ALA A 36 8.804 2.795 1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.468 2.036 0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.544 3.813 0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.490 2.969 -0.570 1.00 0.00 H new ATOM 566 N ALA A 37 7.977 0.770 -0.780 1.00 0.00 N ATOM 567 CA ALA A 37 8.448 -0.479 -1.449 1.00 0.00 C ATOM 568 C ALA A 37 7.892 -0.624 -2.866 1.00 0.00 C ATOM 569 O ALA A 37 6.835 -0.122 -3.197 1.00 0.00 O ATOM 570 CB ALA A 37 7.928 -1.613 -0.568 1.00 0.00 C ATOM 0 H ALA A 37 6.966 0.900 -0.744 1.00 0.00 H new ATOM 0 HA ALA A 37 9.533 -0.478 -1.554 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.232 -2.571 -0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.341 -1.512 0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.840 -1.566 -0.519 1.00 0.00 H new ATOM 576 N THR A 38 8.610 -1.335 -3.694 1.00 0.00 N ATOM 577 CA THR A 38 8.164 -1.565 -5.096 1.00 0.00 C ATOM 578 C THR A 38 8.561 -2.980 -5.538 1.00 0.00 C ATOM 579 O THR A 38 9.725 -3.325 -5.553 1.00 0.00 O ATOM 580 CB THR A 38 8.900 -0.518 -5.932 1.00 0.00 C ATOM 581 OG1 THR A 38 10.288 -0.824 -5.954 1.00 0.00 O ATOM 582 CG2 THR A 38 8.685 0.870 -5.324 1.00 0.00 C ATOM 0 H THR A 38 9.500 -1.772 -3.453 1.00 0.00 H new ATOM 0 HA THR A 38 7.083 -1.479 -5.207 1.00 0.00 H new ATOM 0 HB THR A 38 8.511 -0.525 -6.950 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.444 -1.669 -5.483 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.211 1.615 -5.922 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.620 1.101 -5.312 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.071 0.885 -4.305 1.00 0.00 H new ATOM 590 N ALA A 39 7.578 -3.786 -5.880 1.00 0.00 N ATOM 591 CA ALA A 39 7.792 -5.208 -6.328 1.00 0.00 C ATOM 592 C ALA A 39 7.574 -6.134 -5.144 1.00 0.00 C ATOM 593 O ALA A 39 7.479 -5.691 -4.027 1.00 0.00 O ATOM 594 CB ALA A 39 9.218 -5.333 -6.856 1.00 0.00 C ATOM 0 H ALA A 39 6.598 -3.505 -5.866 1.00 0.00 H new ATOM 0 HA ALA A 39 7.091 -5.481 -7.117 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.395 -6.356 -7.186 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.356 -4.652 -7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.923 -5.080 -6.064 1.00 0.00 H new ATOM 600 N SER A 40 7.453 -7.407 -5.368 1.00 0.00 N ATOM 601 CA SER A 40 7.202 -8.315 -4.218 1.00 0.00 C ATOM 602 C SER A 40 8.509 -8.867 -3.655 1.00 0.00 C ATOM 603 O SER A 40 9.238 -9.587 -4.310 1.00 0.00 O ATOM 604 CB SER A 40 6.306 -9.418 -4.762 1.00 0.00 C ATOM 605 OG SER A 40 7.084 -10.340 -5.514 1.00 0.00 O ATOM 0 H SER A 40 7.515 -7.855 -6.282 1.00 0.00 H new ATOM 0 HA SER A 40 6.726 -7.796 -3.386 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.807 -9.933 -3.941 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.525 -8.989 -5.390 1.00 0.00 H new ATOM 0 HG SER A 40 7.911 -10.543 -5.028 1.00 0.00 H new ATOM 611 N ARG A 41 8.799 -8.521 -2.430 1.00 0.00 N ATOM 612 CA ARG A 41 10.042 -8.995 -1.777 1.00 0.00 C ATOM 613 C ARG A 41 9.717 -9.545 -0.387 1.00 0.00 C ATOM 614 O ARG A 41 8.859 -9.036 0.307 1.00 0.00 O ATOM 615 CB ARG A 41 10.928 -7.756 -1.671 1.00 0.00 C ATOM 616 CG ARG A 41 12.387 -8.187 -1.511 1.00 0.00 C ATOM 617 CD ARG A 41 12.940 -8.597 -2.878 1.00 0.00 C ATOM 618 NE ARG A 41 14.334 -9.053 -2.616 1.00 0.00 N ATOM 619 CZ ARG A 41 15.304 -8.681 -3.408 1.00 0.00 C ATOM 620 NH1 ARG A 41 15.610 -7.418 -3.518 1.00 0.00 N ATOM 621 NH2 ARG A 41 15.969 -9.573 -4.090 1.00 0.00 N ATOM 0 H ARG A 41 8.214 -7.920 -1.849 1.00 0.00 H new ATOM 0 HA ARG A 41 10.530 -9.795 -2.334 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.816 -7.138 -2.562 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.621 -7.148 -0.820 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.977 -7.370 -1.096 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.459 -9.020 -0.811 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.342 -9.393 -3.322 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.924 -7.760 -3.576 1.00 0.00 H new ATOM 0 HE ARG A 41 14.531 -9.656 -1.817 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.092 -6.719 -2.985 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.368 -7.129 -4.137 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.731 -10.561 -4.005 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.726 -9.282 -4.708 1.00 0.00 H new ATOM 635 N MET A 42 10.383 -10.586 0.021 1.00 0.00 N ATOM 636 CA MET A 42 10.100 -11.173 1.356 1.00 0.00 C ATOM 637 C MET A 42 10.824 -10.396 2.463 1.00 0.00 C ATOM 638 O MET A 42 10.326 -10.266 3.563 1.00 0.00 O ATOM 639 CB MET A 42 10.613 -12.606 1.257 1.00 0.00 C ATOM 640 CG MET A 42 9.872 -13.322 0.124 1.00 0.00 C ATOM 641 SD MET A 42 9.540 -15.036 0.603 1.00 0.00 S ATOM 642 CE MET A 42 11.259 -15.602 0.653 1.00 0.00 C ATOM 0 H MET A 42 11.113 -11.056 -0.514 1.00 0.00 H new ATOM 0 HA MET A 42 9.041 -11.133 1.612 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.686 -12.610 1.067 1.00 0.00 H new ATOM 0 HB3 MET A 42 10.455 -13.129 2.200 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.936 -12.807 -0.095 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.470 -13.298 -0.787 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.283 -16.692 0.668 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.787 -15.239 -0.229 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.743 -15.216 1.550 1.00 0.00 H new ATOM 652 N GLN A 43 11.985 -9.867 2.187 1.00 0.00 N ATOM 653 CA GLN A 43 12.710 -9.092 3.236 1.00 0.00 C ATOM 654 C GLN A 43 11.976 -7.772 3.488 1.00 0.00 C ATOM 655 O GLN A 43 11.659 -7.428 4.610 1.00 0.00 O ATOM 656 CB GLN A 43 14.102 -8.833 2.655 1.00 0.00 C ATOM 657 CG GLN A 43 15.152 -8.921 3.767 1.00 0.00 C ATOM 658 CD GLN A 43 15.462 -10.390 4.063 1.00 0.00 C ATOM 659 OE1 GLN A 43 15.213 -11.253 3.244 1.00 0.00 O ATOM 660 NE2 GLN A 43 16.002 -10.714 5.206 1.00 0.00 N ATOM 0 H GLN A 43 12.461 -9.937 1.287 1.00 0.00 H new ATOM 0 HA GLN A 43 12.768 -9.622 4.187 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.322 -9.562 1.875 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.134 -7.848 2.189 1.00 0.00 H new ATOM 0 HG2 GLN A 43 16.061 -8.400 3.465 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.786 -8.427 4.667 1.00 0.00 H new ATOM 0 HE21 GLN A 43 16.212 -9.991 5.894 1.00 0.00 H new ATOM 0 HE22 GLN A 43 16.215 -11.690 5.411 1.00 0.00 H new ATOM 669 N GLU A 44 11.697 -7.036 2.445 1.00 0.00 N ATOM 670 CA GLU A 44 10.976 -5.744 2.610 1.00 0.00 C ATOM 671 C GLU A 44 9.602 -5.995 3.231 1.00 0.00 C ATOM 672 O GLU A 44 9.235 -5.387 4.218 1.00 0.00 O ATOM 673 CB GLU A 44 10.827 -5.193 1.193 1.00 0.00 C ATOM 674 CG GLU A 44 11.659 -3.916 1.044 1.00 0.00 C ATOM 675 CD GLU A 44 13.148 -4.263 1.095 1.00 0.00 C ATOM 676 OE1 GLU A 44 13.467 -5.437 1.006 1.00 0.00 O ATOM 677 OE2 GLU A 44 13.945 -3.348 1.223 1.00 0.00 O ATOM 0 H GLU A 44 11.939 -7.276 1.484 1.00 0.00 H new ATOM 0 HA GLU A 44 11.505 -5.050 3.263 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.153 -5.938 0.467 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.778 -4.982 0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.422 -3.424 0.101 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.412 -3.214 1.840 1.00 0.00 H new ATOM 684 N ALA A 45 8.842 -6.895 2.665 1.00 0.00 N ATOM 685 CA ALA A 45 7.495 -7.190 3.235 1.00 0.00 C ATOM 686 C ALA A 45 7.616 -7.305 4.750 1.00 0.00 C ATOM 687 O ALA A 45 6.869 -6.704 5.496 1.00 0.00 O ATOM 688 CB ALA A 45 7.075 -8.528 2.620 1.00 0.00 C ATOM 0 H ALA A 45 9.094 -7.436 1.838 1.00 0.00 H new ATOM 0 HA ALA A 45 6.763 -6.413 3.017 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.091 -8.808 2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.036 -8.433 1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.799 -9.296 2.891 1.00 0.00 H new ATOM 694 N LEU A 46 8.574 -8.058 5.209 1.00 0.00 N ATOM 695 CA LEU A 46 8.771 -8.197 6.674 1.00 0.00 C ATOM 696 C LEU A 46 8.913 -6.803 7.288 1.00 0.00 C ATOM 697 O LEU A 46 8.321 -6.493 8.302 1.00 0.00 O ATOM 698 CB LEU A 46 10.068 -8.994 6.810 1.00 0.00 C ATOM 699 CG LEU A 46 10.272 -9.409 8.266 1.00 0.00 C ATOM 700 CD1 LEU A 46 9.269 -10.503 8.626 1.00 0.00 C ATOM 701 CD2 LEU A 46 11.694 -9.947 8.447 1.00 0.00 C ATOM 0 H LEU A 46 9.230 -8.584 4.631 1.00 0.00 H new ATOM 0 HA LEU A 46 7.943 -8.692 7.182 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.031 -9.877 6.173 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.912 -8.393 6.472 1.00 0.00 H new ATOM 0 HG LEU A 46 10.122 -8.546 8.915 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.413 -10.801 9.665 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.255 -10.125 8.494 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.422 -11.365 7.977 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.841 -10.244 9.485 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.842 -10.811 7.799 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.413 -9.170 8.186 1.00 0.00 H new ATOM 713 N ASP A 47 9.680 -5.952 6.663 1.00 0.00 N ATOM 714 CA ASP A 47 9.846 -4.573 7.195 1.00 0.00 C ATOM 715 C ASP A 47 8.472 -3.947 7.439 1.00 0.00 C ATOM 716 O ASP A 47 8.325 -3.056 8.246 1.00 0.00 O ATOM 717 CB ASP A 47 10.598 -3.813 6.102 1.00 0.00 C ATOM 718 CG ASP A 47 11.458 -2.722 6.742 1.00 0.00 C ATOM 719 OD1 ASP A 47 11.101 -2.266 7.817 1.00 0.00 O ATOM 720 OD2 ASP A 47 12.461 -2.361 6.149 1.00 0.00 O ATOM 0 H ASP A 47 10.198 -6.153 5.808 1.00 0.00 H new ATOM 0 HA ASP A 47 10.384 -4.551 8.143 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.225 -4.499 5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.892 -3.370 5.400 1.00 0.00 H new ATOM 725 N ILE A 48 7.465 -4.413 6.746 1.00 0.00 N ATOM 726 CA ILE A 48 6.095 -3.856 6.938 1.00 0.00 C ATOM 727 C ILE A 48 5.282 -4.799 7.842 1.00 0.00 C ATOM 728 O ILE A 48 4.576 -4.368 8.731 1.00 0.00 O ATOM 729 CB ILE A 48 5.470 -3.711 5.515 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.346 -4.739 5.286 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.543 -3.892 4.430 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.025 -4.838 3.791 1.00 0.00 C ATOM 0 H ILE A 48 7.534 -5.158 6.053 1.00 0.00 H new ATOM 0 HA ILE A 48 6.106 -2.884 7.431 1.00 0.00 H new ATOM 0 HB ILE A 48 5.049 -2.708 5.450 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.650 -5.714 5.667 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.454 -4.445 5.839 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.087 -3.787 3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.317 -3.134 4.554 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.988 -4.883 4.520 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.229 -5.567 3.637 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.701 -3.864 3.423 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.916 -5.153 3.248 1.00 0.00 H new ATOM 744 N ALA A 49 5.386 -6.084 7.624 1.00 0.00 N ATOM 745 CA ALA A 49 4.623 -7.051 8.461 1.00 0.00 C ATOM 746 C ALA A 49 4.979 -6.871 9.936 1.00 0.00 C ATOM 747 O ALA A 49 4.117 -6.784 10.788 1.00 0.00 O ATOM 748 CB ALA A 49 5.058 -8.431 7.968 1.00 0.00 C ATOM 0 H ALA A 49 5.969 -6.504 6.900 1.00 0.00 H new ATOM 0 HA ALA A 49 3.546 -6.909 8.377 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.538 -9.201 8.537 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.813 -8.534 6.911 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.134 -8.543 8.104 1.00 0.00 H new ATOM 754 N ARG A 50 6.242 -6.813 10.242 1.00 0.00 N ATOM 755 CA ARG A 50 6.656 -6.637 11.660 1.00 0.00 C ATOM 756 C ARG A 50 6.551 -5.162 12.054 1.00 0.00 C ATOM 757 O ARG A 50 6.746 -4.797 13.197 1.00 0.00 O ATOM 758 CB ARG A 50 8.114 -7.108 11.733 1.00 0.00 C ATOM 759 CG ARG A 50 8.352 -8.300 10.793 1.00 0.00 C ATOM 760 CD ARG A 50 7.206 -9.313 10.903 1.00 0.00 C ATOM 761 NE ARG A 50 7.781 -10.458 11.664 1.00 0.00 N ATOM 762 CZ ARG A 50 7.689 -11.673 11.192 1.00 0.00 C ATOM 763 NH1 ARG A 50 6.718 -11.988 10.380 1.00 0.00 N ATOM 764 NH2 ARG A 50 8.569 -12.574 11.536 1.00 0.00 N ATOM 0 H ARG A 50 7.007 -6.880 9.571 1.00 0.00 H new ATOM 0 HA ARG A 50 6.021 -7.203 12.342 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.779 -6.288 11.463 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.358 -7.392 12.757 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.436 -7.948 9.765 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.297 -8.783 11.042 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.348 -8.885 11.421 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.860 -9.627 9.918 1.00 0.00 H new ATOM 0 HE ARG A 50 8.248 -10.293 12.556 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.029 -11.285 10.112 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.648 -12.937 10.013 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.327 -12.329 12.173 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.498 -13.523 11.168 1.00 0.00 H new ATOM 778 N LYS A 51 6.253 -4.311 11.111 1.00 0.00 N ATOM 779 CA LYS A 51 6.144 -2.859 11.416 1.00 0.00 C ATOM 780 C LYS A 51 4.867 -2.557 12.199 1.00 0.00 C ATOM 781 O LYS A 51 4.894 -1.890 13.214 1.00 0.00 O ATOM 782 CB LYS A 51 6.089 -2.176 10.051 1.00 0.00 C ATOM 783 CG LYS A 51 6.741 -0.793 10.136 1.00 0.00 C ATOM 784 CD LYS A 51 8.246 -0.941 10.374 1.00 0.00 C ATOM 785 CE LYS A 51 8.885 0.446 10.485 1.00 0.00 C ATOM 786 NZ LYS A 51 9.802 0.354 11.654 1.00 0.00 N ATOM 0 H LYS A 51 6.080 -4.562 10.138 1.00 0.00 H new ATOM 0 HA LYS A 51 6.977 -2.513 12.028 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.604 -2.786 9.308 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.054 -2.081 9.723 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.562 -0.240 9.214 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.291 -0.218 10.945 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.426 -1.510 11.286 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.701 -1.498 9.555 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.429 0.704 9.576 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.130 1.218 10.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.278 1.268 11.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.256 0.114 12.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.514 -0.384 11.480 1.00 0.00 H new ATOM 800 N GLY A 52 3.740 -3.015 11.723 1.00 0.00 N ATOM 801 CA GLY A 52 2.467 -2.718 12.435 1.00 0.00 C ATOM 802 C GLY A 52 2.444 -1.225 12.754 1.00 0.00 C ATOM 803 O GLY A 52 1.810 -0.782 13.692 1.00 0.00 O ATOM 0 H GLY A 52 3.647 -3.578 10.878 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.612 -2.989 11.816 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.396 -3.305 13.351 1.00 0.00 H new ATOM 807 N GLN A 53 3.155 -0.449 11.980 1.00 0.00 N ATOM 808 CA GLN A 53 3.209 1.020 12.229 1.00 0.00 C ATOM 809 C GLN A 53 3.356 1.804 10.914 1.00 0.00 C ATOM 810 O GLN A 53 3.062 2.982 10.866 1.00 0.00 O ATOM 811 CB GLN A 53 4.445 1.218 13.112 1.00 0.00 C ATOM 812 CG GLN A 53 4.832 2.701 13.156 1.00 0.00 C ATOM 813 CD GLN A 53 3.877 3.455 14.082 1.00 0.00 C ATOM 814 OE1 GLN A 53 2.719 3.105 14.196 1.00 0.00 O ATOM 815 NE2 GLN A 53 4.318 4.484 14.752 1.00 0.00 N ATOM 0 H GLN A 53 3.703 -0.772 11.182 1.00 0.00 H new ATOM 0 HA GLN A 53 2.296 1.385 12.699 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.242 0.858 14.120 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.276 0.629 12.724 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.858 2.809 13.509 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.794 3.127 12.153 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.290 4.777 14.655 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.690 4.996 15.372 1.00 0.00 H new ATOM 824 N PHE A 54 3.816 1.187 9.849 1.00 0.00 N ATOM 825 CA PHE A 54 3.969 1.953 8.581 1.00 0.00 C ATOM 826 C PHE A 54 2.649 2.624 8.216 1.00 0.00 C ATOM 827 O PHE A 54 1.727 2.679 9.005 1.00 0.00 O ATOM 828 CB PHE A 54 4.392 0.941 7.503 1.00 0.00 C ATOM 829 CG PHE A 54 3.364 -0.165 7.339 1.00 0.00 C ATOM 830 CD1 PHE A 54 2.051 0.127 6.934 1.00 0.00 C ATOM 831 CD2 PHE A 54 3.735 -1.496 7.576 1.00 0.00 C ATOM 832 CE1 PHE A 54 1.119 -0.905 6.774 1.00 0.00 C ATOM 833 CE2 PHE A 54 2.799 -2.526 7.412 1.00 0.00 C ATOM 834 CZ PHE A 54 1.493 -2.230 7.014 1.00 0.00 C ATOM 0 H PHE A 54 4.086 0.204 9.807 1.00 0.00 H new ATOM 0 HA PHE A 54 4.715 2.742 8.677 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.527 1.457 6.552 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.355 0.506 7.769 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.760 1.150 6.746 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.743 -1.728 7.885 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.110 -0.677 6.465 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.088 -3.551 7.594 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.772 -3.025 6.892 1.00 0.00 H new ATOM 844 N ASP A 55 2.548 3.139 7.026 1.00 0.00 N ATOM 845 CA ASP A 55 1.285 3.810 6.618 1.00 0.00 C ATOM 846 C ASP A 55 0.447 2.888 5.727 1.00 0.00 C ATOM 847 O ASP A 55 -0.755 2.811 5.869 1.00 0.00 O ATOM 848 CB ASP A 55 1.733 5.048 5.844 1.00 0.00 C ATOM 849 CG ASP A 55 0.714 6.172 6.044 1.00 0.00 C ATOM 850 OD1 ASP A 55 0.234 6.320 7.157 1.00 0.00 O ATOM 851 OD2 ASP A 55 0.431 6.866 5.082 1.00 0.00 O ATOM 0 H ASP A 55 3.283 3.125 6.319 1.00 0.00 H new ATOM 0 HA ASP A 55 0.659 4.065 7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.716 5.369 6.188 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.827 4.813 4.784 1.00 0.00 H new ATOM 856 N ILE A 56 1.062 2.193 4.804 1.00 0.00 N ATOM 857 CA ILE A 56 0.266 1.299 3.912 1.00 0.00 C ATOM 858 C ILE A 56 1.048 0.031 3.542 1.00 0.00 C ATOM 859 O ILE A 56 2.245 -0.049 3.735 1.00 0.00 O ATOM 860 CB ILE A 56 -0.019 2.155 2.680 1.00 0.00 C ATOM 861 CG1 ILE A 56 -1.053 3.233 3.080 1.00 0.00 C ATOM 862 CG2 ILE A 56 -0.530 1.253 1.553 1.00 0.00 C ATOM 863 CD1 ILE A 56 -2.072 3.504 1.966 1.00 0.00 C ATOM 0 H ILE A 56 2.067 2.205 4.631 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.646 0.944 4.392 1.00 0.00 H new ATOM 0 HB ILE A 56 0.880 2.654 2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.578 2.913 3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.533 4.159 3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.736 1.857 0.669 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.227 0.506 1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.445 0.754 1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.776 4.268 2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.552 3.851 1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.613 2.586 1.737 1.00 0.00 H new ATOM 875 N ALA A 57 0.369 -0.972 3.030 1.00 0.00 N ATOM 876 CA ALA A 57 1.070 -2.241 2.674 1.00 0.00 C ATOM 877 C ALA A 57 0.368 -2.947 1.506 1.00 0.00 C ATOM 878 O ALA A 57 -0.633 -3.602 1.691 1.00 0.00 O ATOM 879 CB ALA A 57 0.929 -3.085 3.935 1.00 0.00 C ATOM 0 H ALA A 57 -0.634 -0.963 2.846 1.00 0.00 H new ATOM 0 HA ALA A 57 2.102 -2.075 2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.414 -4.050 3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.400 -2.570 4.772 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.128 -3.240 4.153 1.00 0.00 H new ATOM 885 N ILE A 58 0.897 -2.860 0.315 1.00 0.00 N ATOM 886 CA ILE A 58 0.248 -3.554 -0.835 1.00 0.00 C ATOM 887 C ILE A 58 1.065 -4.785 -1.209 1.00 0.00 C ATOM 888 O ILE A 58 2.271 -4.727 -1.312 1.00 0.00 O ATOM 889 CB ILE A 58 0.248 -2.532 -1.972 1.00 0.00 C ATOM 890 CG1 ILE A 58 -0.807 -1.460 -1.695 1.00 0.00 C ATOM 891 CG2 ILE A 58 -0.076 -3.228 -3.296 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.171 -0.309 -0.913 1.00 0.00 C ATOM 0 H ILE A 58 1.746 -2.341 0.089 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.763 -3.893 -0.608 1.00 0.00 H new ATOM 0 HB ILE A 58 1.233 -2.070 -2.037 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.221 -1.091 -2.633 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.634 -1.886 -1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.075 -2.495 -4.102 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.675 -3.992 -3.499 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.059 -3.694 -3.231 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.922 0.455 -0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.222 -0.684 0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.641 0.123 -1.498 1.00 0.00 H new ATOM 904 N ILE A 59 0.423 -5.901 -1.401 1.00 0.00 N ATOM 905 CA ILE A 59 1.175 -7.136 -1.752 1.00 0.00 C ATOM 906 C ILE A 59 0.301 -8.070 -2.602 1.00 0.00 C ATOM 907 O ILE A 59 -0.238 -9.036 -2.108 1.00 0.00 O ATOM 908 CB ILE A 59 1.478 -7.797 -0.407 1.00 0.00 C ATOM 909 CG1 ILE A 59 1.967 -6.748 0.597 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.549 -8.857 -0.595 1.00 0.00 C ATOM 911 CD1 ILE A 59 2.515 -7.446 1.846 1.00 0.00 C ATOM 0 H ILE A 59 -0.588 -6.012 -1.330 1.00 0.00 H new ATOM 0 HA ILE A 59 2.074 -6.920 -2.329 1.00 0.00 H new ATOM 0 HB ILE A 59 0.568 -8.258 -0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.742 -6.130 0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.148 -6.082 0.870 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.766 -9.329 0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.196 -9.610 -1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.455 -8.393 -0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.862 -6.698 2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.727 -8.045 2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.346 -8.093 1.566 1.00 0.00 H new ATOM 923 N ASP A 60 0.152 -7.799 -3.865 1.00 0.00 N ATOM 924 CA ASP A 60 -0.695 -8.688 -4.726 1.00 0.00 C ATOM 925 C ASP A 60 -0.448 -10.167 -4.396 1.00 0.00 C ATOM 926 O ASP A 60 0.660 -10.654 -4.500 1.00 0.00 O ATOM 927 CB ASP A 60 -0.239 -8.385 -6.141 1.00 0.00 C ATOM 928 CG ASP A 60 -1.396 -8.617 -7.115 1.00 0.00 C ATOM 929 OD1 ASP A 60 -2.074 -9.621 -6.969 1.00 0.00 O ATOM 930 OD2 ASP A 60 -1.585 -7.787 -7.987 1.00 0.00 O ATOM 0 H ASP A 60 0.576 -7.005 -4.344 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.760 -8.511 -4.577 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.106 -7.353 -6.209 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.605 -9.021 -6.406 1.00 0.00 H new ATOM 935 N VAL A 61 -1.472 -10.880 -3.995 1.00 0.00 N ATOM 936 CA VAL A 61 -1.297 -12.327 -3.641 1.00 0.00 C ATOM 937 C VAL A 61 -1.737 -13.256 -4.781 1.00 0.00 C ATOM 938 O VAL A 61 -2.201 -14.354 -4.543 1.00 0.00 O ATOM 939 CB VAL A 61 -2.185 -12.528 -2.405 1.00 0.00 C ATOM 940 CG1 VAL A 61 -3.629 -12.812 -2.831 1.00 0.00 C ATOM 941 CG2 VAL A 61 -1.657 -13.704 -1.576 1.00 0.00 C ATOM 0 H VAL A 61 -2.423 -10.524 -3.897 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.251 -12.571 -3.456 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.163 -11.618 -1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.249 -12.953 -1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.010 -11.971 -3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.658 -13.715 -3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.289 -13.844 -0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.670 -14.610 -2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.636 -13.495 -1.257 1.00 0.00 H new ATOM 951 N ASN A 62 -1.599 -12.845 -6.008 1.00 0.00 N ATOM 952 CA ASN A 62 -2.020 -13.743 -7.124 1.00 0.00 C ATOM 953 C ASN A 62 -1.451 -13.275 -8.463 1.00 0.00 C ATOM 954 O ASN A 62 -1.937 -13.648 -9.512 1.00 0.00 O ATOM 955 CB ASN A 62 -3.538 -13.654 -7.146 1.00 0.00 C ATOM 956 CG ASN A 62 -4.135 -14.851 -6.404 1.00 0.00 C ATOM 957 OD1 ASN A 62 -4.435 -14.764 -5.229 1.00 0.00 O ATOM 958 ND2 ASN A 62 -4.320 -15.975 -7.042 1.00 0.00 N ATOM 0 H ASN A 62 -1.219 -11.941 -6.288 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.658 -14.760 -6.973 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.864 -12.725 -6.679 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.896 -13.636 -8.175 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.716 -16.779 -6.555 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.069 -16.049 -8.028 1.00 0.00 H new ATOM 965 N LEU A 63 -0.430 -12.470 -8.447 1.00 0.00 N ATOM 966 CA LEU A 63 0.149 -12.002 -9.733 1.00 0.00 C ATOM 967 C LEU A 63 1.584 -12.506 -9.869 1.00 0.00 C ATOM 968 O LEU A 63 2.378 -12.406 -8.957 1.00 0.00 O ATOM 969 CB LEU A 63 0.100 -10.478 -9.661 1.00 0.00 C ATOM 970 CG LEU A 63 -0.297 -9.926 -11.032 1.00 0.00 C ATOM 971 CD1 LEU A 63 -1.726 -10.360 -11.358 1.00 0.00 C ATOM 972 CD2 LEU A 63 -0.220 -8.398 -11.014 1.00 0.00 C ATOM 0 H LEU A 63 0.026 -12.118 -7.606 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.396 -12.374 -10.600 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.618 -10.160 -8.905 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.072 -10.084 -9.364 1.00 0.00 H new ATOM 0 HG LEU A 63 0.385 -10.312 -11.790 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.012 -9.968 -12.334 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.781 -11.448 -11.374 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.406 -9.973 -10.599 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.503 -8.008 -11.992 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.900 -8.008 -10.257 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.799 -8.088 -10.781 1.00 0.00 H new ATOM 984 N ASP A 64 1.919 -13.056 -11.002 1.00 0.00 N ATOM 985 CA ASP A 64 3.298 -13.581 -11.204 1.00 0.00 C ATOM 986 C ASP A 64 3.524 -14.839 -10.353 1.00 0.00 C ATOM 987 O ASP A 64 4.595 -15.413 -10.362 1.00 0.00 O ATOM 988 CB ASP A 64 4.224 -12.451 -10.759 1.00 0.00 C ATOM 989 CG ASP A 64 5.578 -12.588 -11.457 1.00 0.00 C ATOM 990 OD1 ASP A 64 6.309 -13.503 -11.117 1.00 0.00 O ATOM 991 OD2 ASP A 64 5.862 -11.773 -12.320 1.00 0.00 O ATOM 0 H ASP A 64 1.294 -13.165 -11.801 1.00 0.00 H new ATOM 0 HA ASP A 64 3.480 -13.869 -12.239 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.777 -11.486 -10.998 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.357 -12.481 -9.678 1.00 0.00 H new ATOM 996 N GLY A 65 2.528 -15.287 -9.625 1.00 0.00 N ATOM 997 CA GLY A 65 2.721 -16.518 -8.803 1.00 0.00 C ATOM 998 C GLY A 65 2.362 -16.253 -7.342 1.00 0.00 C ATOM 999 O GLY A 65 2.810 -16.948 -6.451 1.00 0.00 O ATOM 0 H GLY A 65 1.604 -14.859 -9.566 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.100 -17.324 -9.195 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.757 -16.850 -8.874 1.00 0.00 H new ATOM 1003 N GLU A 66 1.555 -15.268 -7.083 1.00 0.00 N ATOM 1004 CA GLU A 66 1.170 -14.981 -5.675 1.00 0.00 C ATOM 1005 C GLU A 66 2.416 -14.766 -4.811 1.00 0.00 C ATOM 1006 O GLU A 66 2.655 -15.499 -3.872 1.00 0.00 O ATOM 1007 CB GLU A 66 0.405 -16.224 -5.216 1.00 0.00 C ATOM 1008 CG GLU A 66 -0.129 -16.001 -3.800 1.00 0.00 C ATOM 1009 CD GLU A 66 0.682 -16.836 -2.808 1.00 0.00 C ATOM 1010 OE1 GLU A 66 0.816 -18.027 -3.037 1.00 0.00 O ATOM 1011 OE2 GLU A 66 1.155 -16.271 -1.836 1.00 0.00 O ATOM 0 H GLU A 66 1.145 -14.649 -7.782 1.00 0.00 H new ATOM 0 HA GLU A 66 0.570 -14.075 -5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.419 -16.429 -5.899 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.060 -17.095 -5.236 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.066 -14.945 -3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.182 -16.279 -3.750 1.00 0.00 H new ATOM 1018 N PRO A 67 3.167 -13.758 -5.160 1.00 0.00 N ATOM 1019 CA PRO A 67 4.404 -13.428 -4.412 1.00 0.00 C ATOM 1020 C PRO A 67 4.082 -12.624 -3.145 1.00 0.00 C ATOM 1021 O PRO A 67 4.931 -11.948 -2.600 1.00 0.00 O ATOM 1022 CB PRO A 67 5.189 -12.569 -5.395 1.00 0.00 C ATOM 1023 CG PRO A 67 4.164 -11.963 -6.306 1.00 0.00 C ATOM 1024 CD PRO A 67 2.941 -12.847 -6.284 1.00 0.00 C ATOM 0 HA PRO A 67 4.945 -14.314 -4.080 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.757 -11.797 -4.875 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.906 -13.169 -5.955 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.911 -10.955 -5.978 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.556 -11.880 -7.320 1.00 0.00 H new ATOM 0 HD2 PRO A 67 2.031 -12.263 -6.145 1.00 0.00 H new ATOM 0 HD3 PRO A 67 2.829 -13.393 -7.221 1.00 0.00 H new ATOM 1032 N SER A 68 2.866 -12.680 -2.676 1.00 0.00 N ATOM 1033 CA SER A 68 2.504 -11.905 -1.454 1.00 0.00 C ATOM 1034 C SER A 68 2.797 -12.712 -0.186 1.00 0.00 C ATOM 1035 O SER A 68 2.463 -12.305 0.910 1.00 0.00 O ATOM 1036 CB SER A 68 1.011 -11.648 -1.592 1.00 0.00 C ATOM 1037 OG SER A 68 0.627 -10.637 -0.683 1.00 0.00 O ATOM 0 H SER A 68 2.108 -13.227 -3.084 1.00 0.00 H new ATOM 0 HA SER A 68 3.079 -10.983 -1.368 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.775 -11.345 -2.612 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.453 -12.563 -1.394 1.00 0.00 H new ATOM 0 HG SER A 68 0.180 -9.913 -1.169 1.00 0.00 H new ATOM 1043 N TYR A 69 3.428 -13.843 -0.336 1.00 0.00 N ATOM 1044 CA TYR A 69 3.771 -14.710 0.836 1.00 0.00 C ATOM 1045 C TYR A 69 2.590 -14.850 1.810 1.00 0.00 C ATOM 1046 O TYR A 69 1.554 -14.213 1.673 1.00 0.00 O ATOM 1047 CB TYR A 69 4.990 -14.076 1.545 1.00 0.00 C ATOM 1048 CG TYR A 69 5.283 -12.686 1.024 1.00 0.00 C ATOM 1049 CD1 TYR A 69 6.079 -12.508 -0.113 1.00 0.00 C ATOM 1050 CD2 TYR A 69 4.757 -11.577 1.688 1.00 0.00 C ATOM 1051 CE1 TYR A 69 6.345 -11.215 -0.581 1.00 0.00 C ATOM 1052 CE2 TYR A 69 5.019 -10.286 1.223 1.00 0.00 C ATOM 1053 CZ TYR A 69 5.815 -10.105 0.088 1.00 0.00 C ATOM 1054 OH TYR A 69 6.079 -8.833 -0.375 1.00 0.00 O ATOM 0 H TYR A 69 3.728 -14.214 -1.238 1.00 0.00 H new ATOM 0 HA TYR A 69 4.005 -15.716 0.489 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.803 -14.030 2.618 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.865 -14.710 1.401 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.487 -13.365 -0.628 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.144 -11.718 2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.959 -11.074 -1.458 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.608 -9.431 1.739 1.00 0.00 H new ATOM 0 HH TYR A 69 7.048 -8.689 -0.401 1.00 0.00 H new ATOM 1064 N PRO A 70 2.793 -15.710 2.767 1.00 0.00 N ATOM 1065 CA PRO A 70 1.752 -15.986 3.780 1.00 0.00 C ATOM 1066 C PRO A 70 1.582 -14.806 4.737 1.00 0.00 C ATOM 1067 O PRO A 70 0.788 -14.863 5.655 1.00 0.00 O ATOM 1068 CB PRO A 70 2.286 -17.212 4.518 1.00 0.00 C ATOM 1069 CG PRO A 70 3.766 -17.165 4.320 1.00 0.00 C ATOM 1070 CD PRO A 70 4.007 -16.503 2.990 1.00 0.00 C ATOM 0 HA PRO A 70 0.769 -16.149 3.338 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.028 -17.180 5.576 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.862 -18.132 4.115 1.00 0.00 H new ATOM 0 HG2 PRO A 70 4.246 -16.605 5.123 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.190 -18.169 4.334 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.897 -15.874 3.012 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.155 -17.238 2.199 1.00 0.00 H new ATOM 1078 N VAL A 71 2.295 -13.729 4.544 1.00 0.00 N ATOM 1079 CA VAL A 71 2.104 -12.589 5.480 1.00 0.00 C ATOM 1080 C VAL A 71 0.969 -11.707 4.958 1.00 0.00 C ATOM 1081 O VAL A 71 -0.039 -11.559 5.613 1.00 0.00 O ATOM 1082 CB VAL A 71 3.457 -11.845 5.617 1.00 0.00 C ATOM 1083 CG1 VAL A 71 4.607 -12.713 5.093 1.00 0.00 C ATOM 1084 CG2 VAL A 71 3.435 -10.510 4.861 1.00 0.00 C ATOM 0 H VAL A 71 2.981 -13.592 3.802 1.00 0.00 H new ATOM 0 HA VAL A 71 1.811 -12.917 6.477 1.00 0.00 H new ATOM 0 HB VAL A 71 3.614 -11.643 6.676 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.548 -12.173 5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.654 -13.639 5.666 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.438 -12.945 4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.397 -10.011 4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.245 -10.694 3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.647 -9.875 5.266 1.00 0.00 H new ATOM 1094 N ALA A 72 1.078 -11.180 3.765 1.00 0.00 N ATOM 1095 CA ALA A 72 -0.058 -10.393 3.213 1.00 0.00 C ATOM 1096 C ALA A 72 -1.308 -11.220 3.439 1.00 0.00 C ATOM 1097 O ALA A 72 -2.361 -10.727 3.794 1.00 0.00 O ATOM 1098 CB ALA A 72 0.244 -10.310 1.736 1.00 0.00 C ATOM 0 H ALA A 72 1.894 -11.260 3.159 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.192 -9.406 3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.542 -9.744 1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.201 -9.811 1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.291 -11.315 1.317 1.00 0.00 H new ATOM 1104 N ASP A 73 -1.160 -12.503 3.269 1.00 0.00 N ATOM 1105 CA ASP A 73 -2.289 -13.423 3.506 1.00 0.00 C ATOM 1106 C ASP A 73 -2.794 -13.217 4.929 1.00 0.00 C ATOM 1107 O ASP A 73 -3.957 -12.963 5.171 1.00 0.00 O ATOM 1108 CB ASP A 73 -1.663 -14.796 3.389 1.00 0.00 C ATOM 1109 CG ASP A 73 -1.635 -15.235 1.922 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -2.671 -15.648 1.428 1.00 0.00 O ATOM 1111 OD2 ASP A 73 -0.578 -15.149 1.318 1.00 0.00 O ATOM 0 H ASP A 73 -0.293 -12.952 2.973 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.124 -13.277 2.821 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.650 -14.779 3.791 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.229 -15.515 3.982 1.00 0.00 H new ATOM 1116 N ILE A 74 -1.899 -13.316 5.874 1.00 0.00 N ATOM 1117 CA ILE A 74 -2.284 -13.113 7.295 1.00 0.00 C ATOM 1118 C ILE A 74 -2.655 -11.649 7.486 1.00 0.00 C ATOM 1119 O ILE A 74 -3.496 -11.302 8.291 1.00 0.00 O ATOM 1120 CB ILE A 74 -1.052 -13.477 8.116 1.00 0.00 C ATOM 1121 CG1 ILE A 74 -0.792 -14.981 8.004 1.00 0.00 C ATOM 1122 CG2 ILE A 74 -1.285 -13.111 9.581 1.00 0.00 C ATOM 1123 CD1 ILE A 74 0.690 -15.259 8.260 1.00 0.00 C ATOM 0 H ILE A 74 -0.914 -13.530 5.720 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.137 -13.720 7.598 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.190 -12.927 7.738 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.405 -15.522 8.725 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.075 -15.338 7.014 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.403 -13.372 10.166 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.471 -12.040 9.663 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.147 -13.659 9.960 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.878 -16.330 8.181 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.292 -14.729 7.522 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.957 -14.917 9.260 1.00 0.00 H new ATOM 1135 N LEU A 75 -2.067 -10.789 6.707 1.00 0.00 N ATOM 1136 CA LEU A 75 -2.420 -9.358 6.796 1.00 0.00 C ATOM 1137 C LEU A 75 -3.933 -9.243 6.573 1.00 0.00 C ATOM 1138 O LEU A 75 -4.569 -8.287 6.968 1.00 0.00 O ATOM 1139 CB LEU A 75 -1.614 -8.695 5.674 1.00 0.00 C ATOM 1140 CG LEU A 75 -1.196 -7.289 6.107 1.00 0.00 C ATOM 1141 CD1 LEU A 75 -0.142 -7.389 7.212 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -0.605 -6.542 4.909 1.00 0.00 C ATOM 0 H LEU A 75 -1.356 -11.020 6.013 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.194 -8.887 7.753 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.732 -9.293 5.443 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.212 -8.644 4.764 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.067 -6.750 6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.157 -6.387 7.522 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.559 -7.923 8.066 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.728 -7.928 6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.307 -5.540 5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.266 -7.082 4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.353 -6.472 4.119 1.00 0.00 H new ATOM 1154 N ALA A 76 -4.510 -10.258 5.976 1.00 0.00 N ATOM 1155 CA ALA A 76 -5.973 -10.291 5.753 1.00 0.00 C ATOM 1156 C ALA A 76 -6.599 -11.084 6.901 1.00 0.00 C ATOM 1157 O ALA A 76 -7.759 -10.947 7.233 1.00 0.00 O ATOM 1158 CB ALA A 76 -6.148 -11.027 4.425 1.00 0.00 C ATOM 0 H ALA A 76 -4.010 -11.077 5.630 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.440 -9.307 5.720 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.209 -11.096 4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.631 -10.481 3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.729 -12.030 4.507 1.00 0.00 H new ATOM 1164 N GLU A 77 -5.801 -11.917 7.504 1.00 0.00 N ATOM 1165 CA GLU A 77 -6.250 -12.750 8.642 1.00 0.00 C ATOM 1166 C GLU A 77 -6.540 -11.858 9.855 1.00 0.00 C ATOM 1167 O GLU A 77 -7.265 -12.227 10.758 1.00 0.00 O ATOM 1168 CB GLU A 77 -5.042 -13.650 8.897 1.00 0.00 C ATOM 1169 CG GLU A 77 -5.332 -14.621 10.026 1.00 0.00 C ATOM 1170 CD GLU A 77 -5.326 -13.877 11.362 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -4.529 -12.964 11.505 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -6.119 -14.230 12.219 1.00 0.00 O ATOM 0 H GLU A 77 -4.825 -12.056 7.243 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.165 -13.311 8.451 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.794 -14.201 7.990 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.174 -13.041 9.147 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.300 -15.098 9.869 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.584 -15.414 10.037 1.00 0.00 H new ATOM 1179 N ARG A 78 -5.969 -10.685 9.872 1.00 0.00 N ATOM 1180 CA ARG A 78 -6.189 -9.749 11.008 1.00 0.00 C ATOM 1181 C ARG A 78 -6.280 -8.304 10.497 1.00 0.00 C ATOM 1182 O ARG A 78 -7.035 -7.500 11.007 1.00 0.00 O ATOM 1183 CB ARG A 78 -4.966 -9.929 11.909 1.00 0.00 C ATOM 1184 CG ARG A 78 -3.714 -9.431 11.184 1.00 0.00 C ATOM 1185 CD ARG A 78 -2.468 -9.894 11.942 1.00 0.00 C ATOM 1186 NE ARG A 78 -2.572 -9.252 13.283 1.00 0.00 N ATOM 1187 CZ ARG A 78 -2.207 -9.908 14.352 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -2.725 -11.079 14.609 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -1.321 -9.395 15.163 1.00 0.00 N ATOM 0 H ARG A 78 -5.353 -10.333 9.139 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.119 -9.953 11.539 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.103 -9.377 12.839 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.850 -10.980 12.176 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.695 -9.814 10.164 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.728 -8.343 11.116 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.438 -10.980 12.026 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.557 -9.589 11.428 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.928 -8.300 13.366 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.415 -11.482 13.975 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.440 -11.591 15.444 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.914 -8.482 14.962 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.036 -9.908 15.998 1.00 0.00 H new ATOM 1203 N ASN A 79 -5.527 -7.980 9.482 1.00 0.00 N ATOM 1204 CA ASN A 79 -5.562 -6.609 8.909 1.00 0.00 C ATOM 1205 C ASN A 79 -5.242 -5.535 9.956 1.00 0.00 C ATOM 1206 O ASN A 79 -5.671 -5.591 11.092 1.00 0.00 O ATOM 1207 CB ASN A 79 -6.979 -6.450 8.383 1.00 0.00 C ATOM 1208 CG ASN A 79 -7.198 -7.414 7.219 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -6.826 -7.129 6.100 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -7.785 -8.557 7.438 1.00 0.00 N ATOM 0 H ASN A 79 -4.880 -8.619 9.020 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.808 -6.483 8.132 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.698 -6.651 9.177 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.144 -5.424 8.056 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.931 -9.211 6.669 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -8.098 -8.798 8.378 1.00 0.00 H new ATOM 1217 N VAL A 80 -4.488 -4.551 9.547 1.00 0.00 N ATOM 1218 CA VAL A 80 -4.098 -3.424 10.446 1.00 0.00 C ATOM 1219 C VAL A 80 -4.244 -2.123 9.629 1.00 0.00 C ATOM 1220 O VAL A 80 -4.637 -2.189 8.482 1.00 0.00 O ATOM 1221 CB VAL A 80 -2.631 -3.760 10.812 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -1.640 -2.844 10.077 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -2.430 -3.634 12.327 1.00 0.00 C ATOM 0 H VAL A 80 -4.115 -4.479 8.600 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.695 -3.294 11.349 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.435 -4.785 10.499 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.621 -3.110 10.359 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.762 -2.965 9.001 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.833 -1.806 10.349 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.396 -3.872 12.578 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.654 -2.614 12.640 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.096 -4.326 12.841 1.00 0.00 H new ATOM 1233 N PRO A 81 -3.917 -0.983 10.194 1.00 0.00 N ATOM 1234 CA PRO A 81 -4.028 0.271 9.407 1.00 0.00 C ATOM 1235 C PRO A 81 -3.124 0.143 8.188 1.00 0.00 C ATOM 1236 O PRO A 81 -1.933 -0.063 8.308 1.00 0.00 O ATOM 1237 CB PRO A 81 -3.578 1.354 10.383 1.00 0.00 C ATOM 1238 CG PRO A 81 -2.752 0.621 11.388 1.00 0.00 C ATOM 1239 CD PRO A 81 -3.416 -0.724 11.546 1.00 0.00 C ATOM 0 HA PRO A 81 -5.024 0.497 9.025 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.999 2.128 9.880 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.430 1.847 10.851 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.722 0.513 11.047 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.720 1.157 12.336 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.712 -1.489 11.873 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.221 -0.697 12.280 1.00 0.00 H new ATOM 1247 N PHE A 82 -3.697 0.212 7.017 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.897 0.025 5.775 1.00 0.00 C ATOM 1249 C PHE A 82 -3.778 0.037 4.522 1.00 0.00 C ATOM 1250 O PHE A 82 -4.783 0.713 4.448 1.00 0.00 O ATOM 1251 CB PHE A 82 -2.295 -1.376 5.923 1.00 0.00 C ATOM 1252 CG PHE A 82 -3.360 -2.451 5.727 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.727 -2.160 5.891 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.967 -3.754 5.399 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -5.687 -3.167 5.725 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.930 -4.762 5.240 1.00 0.00 C ATOM 1257 CZ PHE A 82 -5.287 -4.467 5.403 1.00 0.00 C ATOM 0 H PHE A 82 -4.690 0.391 6.868 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.163 0.822 5.660 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.497 -1.512 5.193 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.845 -1.480 6.910 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.037 -1.157 6.146 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.920 -3.984 5.268 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.736 -2.939 5.846 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.623 -5.767 4.991 1.00 0.00 H new ATOM 0 HZ PHE A 82 -6.027 -5.244 5.280 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.387 -0.747 3.549 1.00 0.00 N ATOM 1268 CA ILE A 83 -4.145 -0.860 2.276 1.00 0.00 C ATOM 1269 C ILE A 83 -3.569 -2.045 1.500 1.00 0.00 C ATOM 1270 O ILE A 83 -2.383 -2.272 1.539 1.00 0.00 O ATOM 1271 CB ILE A 83 -3.875 0.462 1.567 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.073 1.407 1.713 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -3.592 0.240 0.077 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -6.361 0.674 1.336 1.00 0.00 C ATOM 0 H ILE A 83 -2.549 -1.328 3.591 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.215 -1.029 2.393 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.998 0.910 2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.138 1.771 2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.940 2.279 1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.403 1.200 -0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.718 -0.401 -0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.454 -0.236 -0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.209 1.351 1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.296 0.332 0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.497 -0.184 1.994 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.379 -2.812 0.822 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.823 -3.989 0.092 1.00 0.00 C ATOM 1288 C PHE A 84 -4.526 -4.229 -1.249 1.00 0.00 C ATOM 1289 O PHE A 84 -5.595 -3.702 -1.538 1.00 0.00 O ATOM 1290 CB PHE A 84 -4.099 -5.151 1.039 1.00 0.00 C ATOM 1291 CG PHE A 84 -3.336 -6.393 0.611 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -3.807 -7.170 -0.456 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -2.164 -6.777 1.282 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -3.115 -8.316 -0.856 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -1.477 -7.924 0.878 1.00 0.00 C ATOM 1296 CZ PHE A 84 -1.951 -8.693 -0.192 1.00 0.00 C ATOM 0 H PHE A 84 -5.387 -2.679 0.742 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.770 -3.853 -0.153 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.812 -4.875 2.053 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.168 -5.364 1.057 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.711 -6.881 -0.972 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.795 -6.187 2.108 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.483 -8.909 -1.680 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.575 -8.219 1.394 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.414 -9.577 -0.502 1.00 0.00 H new ATOM 1306 N ALA A 85 -3.934 -5.044 -2.070 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.558 -5.348 -3.373 1.00 0.00 C ATOM 1308 C ALA A 85 -4.233 -6.786 -3.782 1.00 0.00 C ATOM 1309 O ALA A 85 -3.118 -7.241 -3.629 1.00 0.00 O ATOM 1310 CB ALA A 85 -3.937 -4.357 -4.354 1.00 0.00 C ATOM 0 H ALA A 85 -3.045 -5.511 -1.891 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.644 -5.260 -3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.352 -4.521 -5.348 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.158 -3.339 -4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.857 -4.502 -4.383 1.00 0.00 H new ATOM 1316 N THR A 86 -5.189 -7.507 -4.303 1.00 0.00 N ATOM 1317 CA THR A 86 -4.910 -8.913 -4.719 1.00 0.00 C ATOM 1318 C THR A 86 -5.698 -9.264 -5.991 1.00 0.00 C ATOM 1319 O THR A 86 -6.432 -8.455 -6.523 1.00 0.00 O ATOM 1320 CB THR A 86 -5.335 -9.808 -3.545 1.00 0.00 C ATOM 1321 OG1 THR A 86 -5.625 -11.107 -4.036 1.00 0.00 O ATOM 1322 CG2 THR A 86 -6.577 -9.250 -2.843 1.00 0.00 C ATOM 0 H THR A 86 -6.145 -7.187 -4.458 1.00 0.00 H new ATOM 0 HA THR A 86 -3.855 -9.055 -4.952 1.00 0.00 H new ATOM 0 HB THR A 86 -4.518 -9.843 -2.824 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.572 -11.310 -3.885 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.853 -9.905 -2.017 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.361 -8.253 -2.459 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.402 -9.194 -3.553 1.00 0.00 H new ATOM 1330 N GLY A 87 -5.523 -10.456 -6.493 1.00 0.00 N ATOM 1331 CA GLY A 87 -6.226 -10.869 -7.747 1.00 0.00 C ATOM 1332 C GLY A 87 -7.753 -10.727 -7.633 1.00 0.00 C ATOM 1333 O GLY A 87 -8.429 -10.574 -8.631 1.00 0.00 O ATOM 0 H GLY A 87 -4.918 -11.170 -6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.868 -10.262 -8.579 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.976 -11.905 -7.977 1.00 0.00 H new ATOM 1337 N TYR A 88 -8.324 -10.791 -6.456 1.00 0.00 N ATOM 1338 CA TYR A 88 -9.814 -10.671 -6.380 1.00 0.00 C ATOM 1339 C TYR A 88 -10.243 -9.250 -5.986 1.00 0.00 C ATOM 1340 O TYR A 88 -11.377 -8.866 -6.194 1.00 0.00 O ATOM 1341 CB TYR A 88 -10.282 -11.710 -5.353 1.00 0.00 C ATOM 1342 CG TYR A 88 -9.530 -11.562 -4.055 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -9.932 -10.606 -3.116 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -8.443 -12.400 -3.781 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -9.243 -10.485 -1.904 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -7.756 -12.280 -2.568 1.00 0.00 C ATOM 1347 CZ TYR A 88 -8.155 -11.322 -1.629 1.00 0.00 C ATOM 1348 OH TYR A 88 -7.477 -11.204 -0.433 1.00 0.00 O ATOM 0 H TYR A 88 -7.840 -10.918 -5.567 1.00 0.00 H new ATOM 0 HA TYR A 88 -10.271 -10.857 -7.352 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -11.351 -11.594 -5.174 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.133 -12.714 -5.752 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.773 -9.962 -3.326 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.135 -13.139 -4.506 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -9.551 -9.745 -1.180 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -6.917 -12.927 -2.356 1.00 0.00 H new ATOM 0 HH TYR A 88 -6.750 -11.861 -0.403 1.00 0.00 H new ATOM 1358 N GLY A 89 -9.353 -8.451 -5.458 1.00 0.00 N ATOM 1359 CA GLY A 89 -9.738 -7.051 -5.107 1.00 0.00 C ATOM 1360 C GLY A 89 -10.070 -6.919 -3.616 1.00 0.00 C ATOM 1361 O GLY A 89 -11.007 -6.242 -3.242 1.00 0.00 O ATOM 0 H GLY A 89 -8.386 -8.703 -5.256 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.923 -6.373 -5.361 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.600 -6.749 -5.701 1.00 0.00 H new ATOM 1365 N SER A 90 -9.300 -7.536 -2.764 1.00 0.00 N ATOM 1366 CA SER A 90 -9.554 -7.424 -1.293 1.00 0.00 C ATOM 1367 C SER A 90 -10.965 -7.897 -0.926 1.00 0.00 C ATOM 1368 O SER A 90 -11.943 -7.521 -1.541 1.00 0.00 O ATOM 1369 CB SER A 90 -9.390 -5.939 -0.977 1.00 0.00 C ATOM 1370 OG SER A 90 -8.008 -5.612 -0.975 1.00 0.00 O ATOM 0 H SER A 90 -8.501 -8.116 -3.020 1.00 0.00 H new ATOM 0 HA SER A 90 -8.869 -8.051 -0.722 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.917 -5.337 -1.717 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.831 -5.710 -0.007 1.00 0.00 H new ATOM 0 HG SER A 90 -7.749 -5.281 -1.860 1.00 0.00 H new ATOM 1376 N LYS A 91 -11.070 -8.717 0.087 1.00 0.00 N ATOM 1377 CA LYS A 91 -12.403 -9.218 0.518 1.00 0.00 C ATOM 1378 C LYS A 91 -13.119 -8.157 1.363 1.00 0.00 C ATOM 1379 O LYS A 91 -14.223 -8.362 1.828 1.00 0.00 O ATOM 1380 CB LYS A 91 -12.102 -10.461 1.361 1.00 0.00 C ATOM 1381 CG LYS A 91 -11.464 -10.035 2.687 1.00 0.00 C ATOM 1382 CD LYS A 91 -10.742 -11.227 3.324 1.00 0.00 C ATOM 1383 CE LYS A 91 -9.391 -10.765 3.884 1.00 0.00 C ATOM 1384 NZ LYS A 91 -8.528 -10.536 2.688 1.00 0.00 N ATOM 0 H LYS A 91 -10.283 -9.062 0.636 1.00 0.00 H new ATOM 0 HA LYS A 91 -13.054 -9.444 -0.327 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.020 -11.017 1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -11.431 -11.127 0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.760 -9.221 2.517 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -12.230 -9.658 3.365 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.352 -11.652 4.121 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.592 -12.013 2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.499 -9.853 4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.959 -11.519 4.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.906 -9.721 2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.949 -11.382 2.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.127 -10.346 1.859 1.00 0.00 H new ATOM 1398 N GLY A 92 -12.493 -7.029 1.572 1.00 0.00 N ATOM 1399 CA GLY A 92 -13.128 -5.957 2.396 1.00 0.00 C ATOM 1400 C GLY A 92 -12.428 -5.892 3.754 1.00 0.00 C ATOM 1401 O GLY A 92 -13.043 -5.652 4.773 1.00 0.00 O ATOM 0 H GLY A 92 -11.568 -6.803 1.207 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.052 -4.996 1.887 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.190 -6.164 2.529 1.00 0.00 H new ATOM 1405 N LEU A 93 -11.144 -6.125 3.770 1.00 0.00 N ATOM 1406 CA LEU A 93 -10.389 -6.099 5.058 1.00 0.00 C ATOM 1407 C LEU A 93 -10.804 -4.907 5.927 1.00 0.00 C ATOM 1408 O LEU A 93 -11.537 -4.037 5.502 1.00 0.00 O ATOM 1409 CB LEU A 93 -8.894 -6.012 4.689 1.00 0.00 C ATOM 1410 CG LEU A 93 -8.595 -4.908 3.650 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -8.708 -5.473 2.232 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -9.553 -3.722 3.808 1.00 0.00 C ATOM 0 H LEU A 93 -10.582 -6.333 2.944 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.600 -6.994 5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.313 -5.822 5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.566 -6.974 4.295 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.578 -4.555 3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.495 -4.686 1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.992 -6.285 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.717 -5.851 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.317 -2.962 3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.579 -4.062 3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.445 -3.297 4.806 1.00 0.00 H new ATOM 1424 N ASP A 94 -10.323 -4.856 7.141 1.00 0.00 N ATOM 1425 CA ASP A 94 -10.674 -3.713 8.030 1.00 0.00 C ATOM 1426 C ASP A 94 -9.448 -2.823 8.230 1.00 0.00 C ATOM 1427 O ASP A 94 -8.323 -3.272 8.146 1.00 0.00 O ATOM 1428 CB ASP A 94 -11.132 -4.337 9.355 1.00 0.00 C ATOM 1429 CG ASP A 94 -9.918 -4.760 10.186 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -9.422 -5.849 9.957 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -9.511 -3.990 11.040 1.00 0.00 O ATOM 0 H ASP A 94 -9.704 -5.554 7.553 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.459 -3.085 7.608 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.733 -3.620 9.914 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.767 -5.201 9.159 1.00 0.00 H new ATOM 1436 N THR A 95 -9.658 -1.566 8.487 1.00 0.00 N ATOM 1437 CA THR A 95 -8.506 -0.645 8.682 1.00 0.00 C ATOM 1438 C THR A 95 -9.017 0.773 8.923 1.00 0.00 C ATOM 1439 O THR A 95 -10.134 1.104 8.581 1.00 0.00 O ATOM 1440 CB THR A 95 -7.726 -0.723 7.362 1.00 0.00 C ATOM 1441 OG1 THR A 95 -6.776 0.329 7.286 1.00 0.00 O ATOM 1442 CG2 THR A 95 -8.698 -0.613 6.187 1.00 0.00 C ATOM 0 H THR A 95 -10.578 -1.134 8.571 1.00 0.00 H new ATOM 0 HA THR A 95 -7.888 -0.912 9.539 1.00 0.00 H new ATOM 0 HB THR A 95 -7.202 -1.678 7.320 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.529 0.480 6.350 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.144 -0.668 5.250 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.417 -1.431 6.232 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.227 0.339 6.240 1.00 0.00 H new ATOM 1450 N ARG A 96 -8.203 1.621 9.485 1.00 0.00 N ATOM 1451 CA ARG A 96 -8.646 3.024 9.715 1.00 0.00 C ATOM 1452 C ARG A 96 -8.874 3.701 8.363 1.00 0.00 C ATOM 1453 O ARG A 96 -9.376 4.805 8.281 1.00 0.00 O ATOM 1454 CB ARG A 96 -7.487 3.693 10.454 1.00 0.00 C ATOM 1455 CG ARG A 96 -7.639 3.475 11.963 1.00 0.00 C ATOM 1456 CD ARG A 96 -7.267 2.033 12.321 1.00 0.00 C ATOM 1457 NE ARG A 96 -6.309 2.151 13.456 1.00 0.00 N ATOM 1458 CZ ARG A 96 -6.629 2.843 14.518 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -7.869 2.886 14.923 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -5.706 3.491 15.176 1.00 0.00 N ATOM 0 H ARG A 96 -7.255 1.406 9.794 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.574 3.087 10.283 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.538 3.280 10.111 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.469 4.760 10.231 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.999 4.170 12.506 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.665 3.682 12.268 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.148 1.458 12.606 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.813 1.521 11.473 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.400 1.690 13.404 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -8.591 2.379 14.411 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -8.116 3.427 15.752 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.736 3.457 14.861 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.955 4.031 16.005 1.00 0.00 H new ATOM 1474 N TYR A 97 -8.490 3.042 7.303 1.00 0.00 N ATOM 1475 CA TYR A 97 -8.652 3.622 5.948 1.00 0.00 C ATOM 1476 C TYR A 97 -10.123 3.567 5.505 1.00 0.00 C ATOM 1477 O TYR A 97 -10.540 4.297 4.628 1.00 0.00 O ATOM 1478 CB TYR A 97 -7.733 2.754 5.089 1.00 0.00 C ATOM 1479 CG TYR A 97 -6.307 3.186 5.354 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -5.718 2.920 6.598 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -5.582 3.872 4.372 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -4.409 3.336 6.860 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -4.269 4.286 4.635 1.00 0.00 C ATOM 1484 CZ TYR A 97 -3.683 4.019 5.879 1.00 0.00 C ATOM 1485 OH TYR A 97 -2.392 4.435 6.139 1.00 0.00 O ATOM 0 H TYR A 97 -8.066 2.115 7.324 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.391 4.678 5.880 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.864 1.700 5.334 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.977 2.869 4.033 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.277 2.392 7.356 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.034 4.082 3.414 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -3.959 3.130 7.820 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.708 4.812 3.877 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.830 3.656 6.331 1.00 0.00 H new ATOM 1495 N SER A 98 -10.914 2.732 6.128 1.00 0.00 N ATOM 1496 CA SER A 98 -12.364 2.649 5.782 1.00 0.00 C ATOM 1497 C SER A 98 -12.572 2.143 4.359 1.00 0.00 C ATOM 1498 O SER A 98 -13.458 2.597 3.662 1.00 0.00 O ATOM 1499 CB SER A 98 -12.897 4.077 5.917 1.00 0.00 C ATOM 1500 OG SER A 98 -12.465 4.629 7.152 1.00 0.00 O ATOM 0 H SER A 98 -10.614 2.098 6.869 1.00 0.00 H new ATOM 0 HA SER A 98 -12.883 1.948 6.436 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.541 4.689 5.088 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.986 4.076 5.868 1.00 0.00 H new ATOM 0 HG SER A 98 -12.805 5.544 7.238 1.00 0.00 H new ATOM 1506 N ASN A 99 -11.789 1.198 3.920 1.00 0.00 N ATOM 1507 CA ASN A 99 -11.987 0.671 2.544 1.00 0.00 C ATOM 1508 C ASN A 99 -11.902 1.804 1.515 1.00 0.00 C ATOM 1509 O ASN A 99 -12.734 2.688 1.471 1.00 0.00 O ATOM 1510 CB ASN A 99 -13.391 0.074 2.576 1.00 0.00 C ATOM 1511 CG ASN A 99 -13.319 -1.406 2.960 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -14.189 -2.177 2.610 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -12.312 -1.839 3.669 1.00 0.00 N ATOM 0 H ASN A 99 -11.028 0.772 4.449 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.228 -0.058 2.258 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -14.009 0.615 3.292 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.864 0.183 1.600 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -12.257 -2.824 3.928 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.580 -1.192 3.964 1.00 0.00 H new ATOM 1520 N ILE A 100 -10.900 1.775 0.687 1.00 0.00 N ATOM 1521 CA ILE A 100 -10.746 2.840 -0.349 1.00 0.00 C ATOM 1522 C ILE A 100 -9.912 2.285 -1.544 1.00 0.00 C ATOM 1523 O ILE A 100 -10.477 1.533 -2.314 1.00 0.00 O ATOM 1524 CB ILE A 100 -10.148 4.079 0.364 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -9.763 3.784 1.834 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -11.205 5.183 0.368 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -8.799 2.594 1.936 1.00 0.00 C ATOM 0 H ILE A 100 -10.175 1.058 0.680 1.00 0.00 H new ATOM 0 HA ILE A 100 -11.690 3.151 -0.796 1.00 0.00 H new ATOM 0 HB ILE A 100 -9.245 4.371 -0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.300 4.667 2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -10.663 3.575 2.412 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -10.806 6.067 0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.473 5.434 -0.658 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.091 4.836 0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.550 2.416 2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -9.273 1.705 1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.888 2.815 1.379 1.00 0.00 H new ATOM 1539 N PRO A 101 -8.623 2.596 -1.718 1.00 0.00 N ATOM 1540 CA PRO A 101 -7.892 1.998 -2.876 1.00 0.00 C ATOM 1541 C PRO A 101 -7.742 0.490 -2.691 1.00 0.00 C ATOM 1542 O PRO A 101 -6.649 -0.036 -2.760 1.00 0.00 O ATOM 1543 CB PRO A 101 -6.510 2.643 -2.812 1.00 0.00 C ATOM 1544 CG PRO A 101 -6.361 3.009 -1.378 1.00 0.00 C ATOM 1545 CD PRO A 101 -7.719 3.475 -0.953 1.00 0.00 C ATOM 0 HA PRO A 101 -8.410 2.164 -3.821 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -5.730 1.952 -3.133 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.446 3.519 -3.458 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.033 2.155 -0.785 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -5.616 3.793 -1.246 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.865 3.368 0.122 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.879 4.526 -1.193 1.00 0.00 H new ATOM 1553 N LEU A 102 -8.805 -0.223 -2.451 1.00 0.00 N ATOM 1554 CA LEU A 102 -8.648 -1.684 -2.266 1.00 0.00 C ATOM 1555 C LEU A 102 -8.999 -2.404 -3.564 1.00 0.00 C ATOM 1556 O LEU A 102 -10.082 -2.245 -4.089 1.00 0.00 O ATOM 1557 CB LEU A 102 -9.626 -2.074 -1.145 1.00 0.00 C ATOM 1558 CG LEU A 102 -8.893 -2.279 0.191 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -7.541 -2.950 -0.039 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -8.678 -0.928 0.874 1.00 0.00 C ATOM 0 H LEU A 102 -9.757 0.136 -2.377 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.626 -1.958 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.381 -1.296 -1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.150 -2.990 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.503 -2.920 0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.036 -3.087 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.692 -3.920 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.929 -2.322 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.158 -1.077 1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.079 -0.285 0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.643 -0.457 1.060 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.098 -3.191 -4.095 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.423 -3.898 -5.378 1.00 0.00 C ATOM 1574 C LEU A 103 -7.211 -4.650 -5.930 1.00 0.00 C ATOM 1575 O LEU A 103 -6.246 -4.882 -5.243 1.00 0.00 O ATOM 1576 CB LEU A 103 -8.833 -2.792 -6.354 1.00 0.00 C ATOM 1577 CG LEU A 103 -7.866 -1.610 -6.241 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -6.521 -1.989 -6.861 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -8.443 -0.408 -6.988 1.00 0.00 C ATOM 0 H LEU A 103 -7.172 -3.374 -3.710 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.207 -4.640 -5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.833 -3.177 -7.374 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.849 -2.463 -6.138 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.726 -1.357 -5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.833 -1.147 -6.780 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.107 -2.848 -6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.663 -2.242 -7.912 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.756 0.434 -6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.582 -0.665 -8.038 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.403 -0.135 -6.551 1.00 0.00 H new ATOM 1591 N THR A 104 -7.267 -5.038 -7.174 1.00 0.00 N ATOM 1592 CA THR A 104 -6.131 -5.781 -7.782 1.00 0.00 C ATOM 1593 C THR A 104 -5.126 -4.808 -8.412 1.00 0.00 C ATOM 1594 O THR A 104 -3.941 -4.870 -8.154 1.00 0.00 O ATOM 1595 CB THR A 104 -6.779 -6.659 -8.854 1.00 0.00 C ATOM 1596 OG1 THR A 104 -7.778 -7.472 -8.255 1.00 0.00 O ATOM 1597 CG2 THR A 104 -5.719 -7.547 -9.507 1.00 0.00 C ATOM 0 H THR A 104 -8.056 -4.871 -7.798 1.00 0.00 H new ATOM 0 HA THR A 104 -5.575 -6.365 -7.049 1.00 0.00 H new ATOM 0 HB THR A 104 -7.232 -6.025 -9.616 1.00 0.00 H new ATOM 0 HG1 THR A 104 -7.512 -7.696 -7.339 1.00 0.00 H new ATOM 0 HG21 THR A 104 -6.186 -8.170 -10.270 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.954 -6.922 -9.968 1.00 0.00 H new ATOM 0 HG23 THR A 104 -5.260 -8.183 -8.750 1.00 0.00 H new ATOM 1605 N LYS A 105 -5.596 -3.907 -9.233 1.00 0.00 N ATOM 1606 CA LYS A 105 -4.678 -2.923 -9.880 1.00 0.00 C ATOM 1607 C LYS A 105 -5.370 -1.559 -9.971 1.00 0.00 C ATOM 1608 O LYS A 105 -6.532 -1.478 -10.315 1.00 0.00 O ATOM 1609 CB LYS A 105 -4.391 -3.489 -11.277 1.00 0.00 C ATOM 1610 CG LYS A 105 -5.682 -3.555 -12.102 1.00 0.00 C ATOM 1611 CD LYS A 105 -6.563 -4.697 -11.591 1.00 0.00 C ATOM 1612 CE LYS A 105 -7.103 -5.497 -12.777 1.00 0.00 C ATOM 1613 NZ LYS A 105 -8.020 -4.562 -13.484 1.00 0.00 N ATOM 0 H LYS A 105 -6.580 -3.809 -9.485 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.756 -2.779 -9.317 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.658 -2.863 -11.786 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.956 -4.485 -11.191 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.219 -2.609 -12.031 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.445 -3.709 -13.155 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.987 -5.347 -10.932 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.389 -4.298 -11.002 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.296 -5.828 -13.430 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.630 -6.391 -12.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.629 -5.099 -14.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.610 -4.063 -12.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -7.462 -3.871 -14.024 1.00 0.00 H new ATOM 1627 N PRO A 106 -4.640 -0.530 -9.631 1.00 0.00 N ATOM 1628 CA PRO A 106 -5.210 0.832 -9.654 1.00 0.00 C ATOM 1629 C PRO A 106 -5.196 1.410 -11.082 1.00 0.00 C ATOM 1630 O PRO A 106 -5.950 0.980 -11.932 1.00 0.00 O ATOM 1631 CB PRO A 106 -4.295 1.607 -8.709 1.00 0.00 C ATOM 1632 CG PRO A 106 -2.981 0.882 -8.743 1.00 0.00 C ATOM 1633 CD PRO A 106 -3.242 -0.538 -9.193 1.00 0.00 C ATOM 0 HA PRO A 106 -6.255 0.874 -9.347 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -4.181 2.642 -9.033 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -4.704 1.632 -7.699 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -2.290 1.377 -9.425 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -2.516 0.890 -7.757 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -2.573 -0.827 -10.004 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.084 -1.248 -8.381 1.00 0.00 H new ATOM 1641 N PHE A 107 -4.354 2.376 -11.361 1.00 0.00 N ATOM 1642 CA PHE A 107 -4.318 2.959 -12.733 1.00 0.00 C ATOM 1643 C PHE A 107 -5.720 3.399 -13.173 1.00 0.00 C ATOM 1644 O PHE A 107 -6.091 3.250 -14.321 1.00 0.00 O ATOM 1645 CB PHE A 107 -3.811 1.827 -13.628 1.00 0.00 C ATOM 1646 CG PHE A 107 -2.456 1.368 -13.148 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -1.494 2.309 -12.764 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -2.161 0.001 -13.086 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -0.237 1.884 -12.319 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -0.904 -0.425 -12.640 1.00 0.00 C ATOM 1651 CZ PHE A 107 0.058 0.517 -12.256 1.00 0.00 C ATOM 0 H PHE A 107 -3.694 2.783 -10.698 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.683 3.843 -12.783 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.515 0.995 -13.612 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.745 2.169 -14.661 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -1.722 3.364 -12.811 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.903 -0.725 -13.382 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.506 2.611 -12.024 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.677 -1.480 -12.592 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.028 0.189 -11.911 1.00 0.00 H new ATOM 1661 N LEU A 108 -6.505 3.939 -12.277 1.00 0.00 N ATOM 1662 CA LEU A 108 -7.879 4.381 -12.663 1.00 0.00 C ATOM 1663 C LEU A 108 -8.665 4.836 -11.424 1.00 0.00 C ATOM 1664 O LEU A 108 -8.107 5.378 -10.485 1.00 0.00 O ATOM 1665 CB LEU A 108 -8.530 3.144 -13.294 1.00 0.00 C ATOM 1666 CG LEU A 108 -9.107 3.511 -14.663 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -9.767 2.280 -15.286 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -10.151 4.617 -14.498 1.00 0.00 C ATOM 0 H LEU A 108 -6.256 4.093 -11.300 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.862 5.228 -13.349 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.794 2.347 -13.400 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.319 2.765 -12.645 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.304 3.862 -15.311 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.178 2.542 -16.261 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.025 1.490 -15.405 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.569 1.929 -14.637 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.562 4.878 -15.473 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.953 4.266 -13.849 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.683 5.496 -14.054 1.00 0.00 H new ATOM 1680 N ASP A 109 -9.958 4.625 -11.417 1.00 0.00 N ATOM 1681 CA ASP A 109 -10.783 5.043 -10.244 1.00 0.00 C ATOM 1682 C ASP A 109 -10.034 4.751 -8.944 1.00 0.00 C ATOM 1683 O ASP A 109 -10.197 5.437 -7.954 1.00 0.00 O ATOM 1684 CB ASP A 109 -12.057 4.203 -10.331 1.00 0.00 C ATOM 1685 CG ASP A 109 -13.176 4.885 -9.541 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -13.057 6.073 -9.286 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -14.133 4.209 -9.203 1.00 0.00 O ATOM 0 H ASP A 109 -10.477 4.181 -12.174 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.002 6.111 -10.253 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.355 4.082 -11.373 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.874 3.204 -9.934 1.00 0.00 H new ATOM 1692 N SER A 110 -9.205 3.744 -8.944 1.00 0.00 N ATOM 1693 CA SER A 110 -8.436 3.415 -7.712 1.00 0.00 C ATOM 1694 C SER A 110 -7.603 4.620 -7.293 1.00 0.00 C ATOM 1695 O SER A 110 -7.772 5.151 -6.215 1.00 0.00 O ATOM 1696 CB SER A 110 -7.532 2.254 -8.102 1.00 0.00 C ATOM 1697 OG SER A 110 -6.949 1.702 -6.929 1.00 0.00 O ATOM 0 H SER A 110 -9.027 3.136 -9.743 1.00 0.00 H new ATOM 0 HA SER A 110 -9.083 3.157 -6.874 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.105 1.493 -8.631 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.753 2.597 -8.783 1.00 0.00 H new ATOM 0 HG SER A 110 -7.480 1.961 -6.147 1.00 0.00 H new ATOM 1703 N GLU A 111 -6.714 5.066 -8.144 1.00 0.00 N ATOM 1704 CA GLU A 111 -5.887 6.256 -7.797 1.00 0.00 C ATOM 1705 C GLU A 111 -6.786 7.292 -7.128 1.00 0.00 C ATOM 1706 O GLU A 111 -6.406 7.970 -6.191 1.00 0.00 O ATOM 1707 CB GLU A 111 -5.366 6.775 -9.136 1.00 0.00 C ATOM 1708 CG GLU A 111 -4.444 5.731 -9.769 1.00 0.00 C ATOM 1709 CD GLU A 111 -3.033 6.306 -9.899 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -2.371 6.434 -8.882 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -2.639 6.612 -11.013 1.00 0.00 O ATOM 0 H GLU A 111 -6.527 4.658 -9.060 1.00 0.00 H new ATOM 0 HA GLU A 111 -5.068 6.032 -7.113 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -6.201 6.990 -9.803 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.826 7.710 -8.989 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -4.425 4.829 -9.158 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -4.822 5.443 -10.750 1.00 0.00 H new ATOM 1718 N LEU A 112 -8.001 7.376 -7.588 1.00 0.00 N ATOM 1719 CA LEU A 112 -8.967 8.331 -6.969 1.00 0.00 C ATOM 1720 C LEU A 112 -9.294 7.825 -5.569 1.00 0.00 C ATOM 1721 O LEU A 112 -9.236 8.551 -4.597 1.00 0.00 O ATOM 1722 CB LEU A 112 -10.230 8.318 -7.847 1.00 0.00 C ATOM 1723 CG LEU A 112 -9.868 8.048 -9.309 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -11.055 8.402 -10.207 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -8.657 8.898 -9.703 1.00 0.00 C ATOM 0 H LEU A 112 -8.369 6.827 -8.365 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.566 9.342 -6.900 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.919 7.553 -7.490 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.746 9.275 -7.765 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.625 6.992 -9.431 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.794 8.209 -11.248 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -11.916 7.793 -9.929 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.302 9.457 -10.085 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.400 8.705 -10.745 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.898 9.954 -9.578 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.810 8.641 -9.067 1.00 0.00 H new ATOM 1737 N GLU A 113 -9.610 6.563 -5.463 1.00 0.00 N ATOM 1738 CA GLU A 113 -9.913 5.982 -4.131 1.00 0.00 C ATOM 1739 C GLU A 113 -8.648 6.019 -3.286 1.00 0.00 C ATOM 1740 O GLU A 113 -8.694 6.199 -2.091 1.00 0.00 O ATOM 1741 CB GLU A 113 -10.325 4.527 -4.407 1.00 0.00 C ATOM 1742 CG GLU A 113 -11.294 4.494 -5.592 1.00 0.00 C ATOM 1743 CD GLU A 113 -12.510 3.638 -5.235 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -12.314 2.508 -4.821 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -13.618 4.128 -5.382 1.00 0.00 O ATOM 0 H GLU A 113 -9.671 5.911 -6.245 1.00 0.00 H new ATOM 0 HA GLU A 113 -10.695 6.523 -3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -9.445 3.922 -4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.797 4.096 -3.524 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.610 5.506 -5.845 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.795 4.087 -6.472 1.00 0.00 H new ATOM 1752 N ALA A 114 -7.517 5.840 -3.912 1.00 0.00 N ATOM 1753 CA ALA A 114 -6.229 5.836 -3.156 1.00 0.00 C ATOM 1754 C ALA A 114 -5.959 7.177 -2.481 1.00 0.00 C ATOM 1755 O ALA A 114 -5.193 7.255 -1.541 1.00 0.00 O ATOM 1756 CB ALA A 114 -5.153 5.533 -4.197 1.00 0.00 C ATOM 0 H ALA A 114 -7.428 5.696 -4.918 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.249 5.099 -2.353 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.176 5.514 -3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.352 4.564 -4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.163 6.305 -4.966 1.00 0.00 H new ATOM 1762 N VAL A 115 -6.560 8.235 -2.932 1.00 0.00 N ATOM 1763 CA VAL A 115 -6.289 9.537 -2.265 1.00 0.00 C ATOM 1764 C VAL A 115 -7.492 9.976 -1.428 1.00 0.00 C ATOM 1765 O VAL A 115 -7.340 10.595 -0.394 1.00 0.00 O ATOM 1766 CB VAL A 115 -6.008 10.526 -3.394 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -5.385 11.791 -2.810 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -5.030 9.900 -4.392 1.00 0.00 C ATOM 0 H VAL A 115 -7.213 8.260 -3.715 1.00 0.00 H new ATOM 0 HA VAL A 115 -5.446 9.473 -1.577 1.00 0.00 H new ATOM 0 HB VAL A 115 -6.940 10.772 -3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -5.182 12.501 -3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.074 12.239 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.453 11.538 -2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.830 10.607 -5.197 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.097 9.656 -3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.465 8.991 -4.807 1.00 0.00 H new ATOM 1778 N LEU A 116 -8.683 9.652 -1.846 1.00 0.00 N ATOM 1779 CA LEU A 116 -9.871 10.051 -1.040 1.00 0.00 C ATOM 1780 C LEU A 116 -9.865 9.288 0.286 1.00 0.00 C ATOM 1781 O LEU A 116 -10.606 9.597 1.198 1.00 0.00 O ATOM 1782 CB LEU A 116 -11.084 9.660 -1.882 1.00 0.00 C ATOM 1783 CG LEU A 116 -11.539 10.863 -2.709 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -11.694 10.445 -4.172 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -12.883 11.364 -2.177 1.00 0.00 C ATOM 0 H LEU A 116 -8.885 9.134 -2.701 1.00 0.00 H new ATOM 0 HA LEU A 116 -9.878 11.115 -0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.831 8.828 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.894 9.321 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.798 11.659 -2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -12.018 11.302 -4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.738 10.084 -4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -12.437 9.651 -4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -13.210 12.222 -2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -13.624 10.568 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.774 11.659 -1.133 1.00 0.00 H new