USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 784 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 Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.447 K(o=-0.45,f=-1.5) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -160:sc= -1.94! USER MOD Single : A 20 GLN : amide:sc= -0.0743 X(o=-0.074,f=0) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 145:sc= -0.148 (180deg=-0.585) USER MOD Single : A 40 ASN : amide:sc= -0.0558 X(o=-0.056,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.663 K(o=-0.66,f=-8.1!) USER MOD Single : A 44 SER OG : rot 160:sc= -1.04 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -1.76! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 123:sc= -0.185 (180deg=-0.891) USER MOD Single : A 57 HIS : no HE2:sc= -5.28! C(o=-5.3!,f=-6.4!) USER MOD Single : A 58 CYS SG : rot 180:sc= -3.75! USER MOD Single : A 61 GLN : amide:sc= 0.0585 K(o=0.059,f=-1.2) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 66 THR OG1 : rot 166:sc= 0.3 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.55) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -0.225 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -133:sc= 0.0187 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -2.21 X(o=-2.2,f=-2.3!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.025) USER MOD Single : A 93 MET CE :methyl -159:sc= -4.45! (180deg=-5.99!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N TRP A 11 -2.484 10.508 -0.239 1.00 0.00 N ATOM 142 CA TRP A 11 -1.340 9.561 -0.362 1.00 0.00 C ATOM 143 C TRP A 11 -1.502 8.720 -1.630 1.00 0.00 C ATOM 144 O TRP A 11 -0.671 7.891 -1.945 1.00 0.00 O ATOM 145 CB TRP A 11 -1.303 8.641 0.863 1.00 0.00 C ATOM 146 CG TRP A 11 -2.697 8.347 1.323 1.00 0.00 C ATOM 147 CD1 TRP A 11 -3.547 9.256 1.854 1.00 0.00 C ATOM 148 CD2 TRP A 11 -3.412 7.076 1.312 1.00 0.00 C ATOM 149 NE1 TRP A 11 -4.739 8.625 2.165 1.00 0.00 N ATOM 150 CE2 TRP A 11 -4.705 7.281 1.850 1.00 0.00 C ATOM 151 CE3 TRP A 11 -3.068 5.780 0.889 1.00 0.00 C ATOM 152 CZ2 TRP A 11 -5.623 6.237 1.965 1.00 0.00 C ATOM 153 CZ3 TRP A 11 -3.991 4.726 1.003 1.00 0.00 C ATOM 154 CH2 TRP A 11 -5.266 4.955 1.540 1.00 0.00 C ATOM 0 HA TRP A 11 -0.409 10.125 -0.420 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.789 7.712 0.615 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.738 9.114 1.666 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.331 10.303 2.010 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.545 9.096 2.577 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.089 5.593 0.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.603 6.419 2.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.717 3.734 0.675 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -5.971 4.141 1.625 1.00 0.00 H new ATOM 165 N TYR A 12 -2.564 8.927 -2.361 1.00 0.00 N ATOM 166 CA TYR A 12 -2.777 8.138 -3.608 1.00 0.00 C ATOM 167 C TYR A 12 -2.157 8.874 -4.797 1.00 0.00 C ATOM 168 O TYR A 12 -1.856 10.049 -4.727 1.00 0.00 O ATOM 169 CB TYR A 12 -4.279 7.961 -3.847 1.00 0.00 C ATOM 170 CG TYR A 12 -4.887 9.287 -4.235 1.00 0.00 C ATOM 171 CD1 TYR A 12 -4.798 9.738 -5.557 1.00 0.00 C ATOM 172 CD2 TYR A 12 -5.539 10.067 -3.272 1.00 0.00 C ATOM 173 CE1 TYR A 12 -5.363 10.968 -5.916 1.00 0.00 C ATOM 174 CE2 TYR A 12 -6.103 11.296 -3.631 1.00 0.00 C ATOM 175 CZ TYR A 12 -6.014 11.747 -4.953 1.00 0.00 C ATOM 176 OH TYR A 12 -6.569 12.960 -5.308 1.00 0.00 O ATOM 0 H TYR A 12 -3.293 9.608 -2.149 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.305 7.161 -3.502 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.449 7.227 -4.635 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.759 7.579 -2.946 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.294 9.138 -6.300 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -5.607 9.720 -2.252 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.296 11.315 -6.936 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.607 11.897 -2.888 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.984 13.373 -4.522 1.00 0.00 H new ATOM 186 N HIS A 13 -1.965 8.188 -5.892 1.00 0.00 N ATOM 187 CA HIS A 13 -1.365 8.842 -7.089 1.00 0.00 C ATOM 188 C HIS A 13 -2.099 8.374 -8.349 1.00 0.00 C ATOM 189 O HIS A 13 -2.027 7.223 -8.731 1.00 0.00 O ATOM 190 CB HIS A 13 0.114 8.463 -7.190 1.00 0.00 C ATOM 191 CG HIS A 13 0.881 9.141 -6.088 1.00 0.00 C ATOM 192 ND1 HIS A 13 0.692 10.476 -5.770 1.00 0.00 N ATOM 193 CD2 HIS A 13 1.840 8.681 -5.220 1.00 0.00 C ATOM 194 CE1 HIS A 13 1.518 10.771 -4.751 1.00 0.00 C ATOM 195 NE2 HIS A 13 2.242 9.713 -4.376 1.00 0.00 N ATOM 0 H HIS A 13 -2.198 7.202 -6.008 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.457 9.924 -6.996 1.00 0.00 H new ATOM 0 HB2 HIS A 13 0.229 7.382 -7.116 1.00 0.00 H new ATOM 0 HB3 HIS A 13 0.511 8.760 -8.161 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.224 7.672 -5.195 1.00 0.00 H new ATOM 0 HE1 HIS A 13 1.588 11.746 -4.291 1.00 0.00 H new ATOM 0 HE2 HIS A 13 2.939 9.670 -3.632 1.00 0.00 H new ATOM 203 N ALA A 14 -2.806 9.258 -8.999 1.00 0.00 N ATOM 204 CA ALA A 14 -3.543 8.859 -10.231 1.00 0.00 C ATOM 205 C ALA A 14 -2.610 8.943 -11.444 1.00 0.00 C ATOM 206 O ALA A 14 -3.051 8.943 -12.576 1.00 0.00 O ATOM 207 CB ALA A 14 -4.732 9.799 -10.440 1.00 0.00 C ATOM 0 H ALA A 14 -2.905 10.237 -8.731 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.900 7.835 -10.120 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.272 9.508 -11.341 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.400 9.737 -9.581 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.372 10.822 -10.547 1.00 0.00 H new ATOM 213 N SER A 15 -1.327 9.016 -11.218 1.00 0.00 N ATOM 214 CA SER A 15 -0.377 9.102 -12.362 1.00 0.00 C ATOM 215 C SER A 15 0.938 8.409 -11.994 1.00 0.00 C ATOM 216 O SER A 15 1.514 8.662 -10.953 1.00 0.00 O ATOM 217 CB SER A 15 -0.104 10.570 -12.688 1.00 0.00 C ATOM 218 OG SER A 15 -0.385 11.365 -11.543 1.00 0.00 O ATOM 0 H SER A 15 -0.897 9.020 -10.293 1.00 0.00 H new ATOM 0 HA SER A 15 -0.814 8.610 -13.231 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.935 10.700 -12.990 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.722 10.889 -13.527 1.00 0.00 H new ATOM 0 HG SER A 15 -0.209 12.307 -11.748 1.00 0.00 H new ATOM 224 N LEU A 16 1.417 7.539 -12.840 1.00 0.00 N ATOM 225 CA LEU A 16 2.695 6.832 -12.543 1.00 0.00 C ATOM 226 C LEU A 16 3.019 5.866 -13.684 1.00 0.00 C ATOM 227 O LEU A 16 2.241 5.687 -14.599 1.00 0.00 O ATOM 228 CB LEU A 16 2.556 6.052 -11.233 1.00 0.00 C ATOM 229 CG LEU A 16 3.480 6.661 -10.178 1.00 0.00 C ATOM 230 CD1 LEU A 16 3.025 6.227 -8.784 1.00 0.00 C ATOM 231 CD2 LEU A 16 4.912 6.179 -10.418 1.00 0.00 C ATOM 0 H LEU A 16 0.978 7.287 -13.725 1.00 0.00 H new ATOM 0 HA LEU A 16 3.500 7.561 -12.445 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.523 6.081 -10.888 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.809 5.004 -11.393 1.00 0.00 H new ATOM 0 HG LEU A 16 3.443 7.748 -10.248 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.685 6.662 -8.034 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.004 6.569 -8.612 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.061 5.140 -8.712 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.572 6.612 -9.667 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.947 5.092 -10.348 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.239 6.489 -11.411 1.00 0.00 H new ATOM 243 N THR A 17 4.166 5.242 -13.639 1.00 0.00 N ATOM 244 CA THR A 17 4.538 4.291 -14.725 1.00 0.00 C ATOM 245 C THR A 17 4.443 2.855 -14.204 1.00 0.00 C ATOM 246 O THR A 17 4.321 2.620 -13.018 1.00 0.00 O ATOM 247 CB THR A 17 5.971 4.576 -15.182 1.00 0.00 C ATOM 248 OG1 THR A 17 6.399 5.816 -14.639 1.00 0.00 O ATOM 249 CG2 THR A 17 6.019 4.642 -16.708 1.00 0.00 C ATOM 0 H THR A 17 4.859 5.350 -12.899 1.00 0.00 H new ATOM 0 HA THR A 17 3.856 4.416 -15.566 1.00 0.00 H new ATOM 0 HB THR A 17 6.629 3.779 -14.836 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.157 6.156 -15.159 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.040 4.845 -17.031 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.689 3.690 -17.124 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.362 5.438 -17.059 1.00 0.00 H new ATOM 257 N ARG A 18 4.493 1.891 -15.084 1.00 0.00 N ATOM 258 CA ARG A 18 4.402 0.469 -14.642 1.00 0.00 C ATOM 259 C ARG A 18 5.789 -0.047 -14.249 1.00 0.00 C ATOM 260 O ARG A 18 6.031 -1.238 -14.226 1.00 0.00 O ATOM 261 CB ARG A 18 3.848 -0.382 -15.787 1.00 0.00 C ATOM 262 CG ARG A 18 4.868 -0.432 -16.926 1.00 0.00 C ATOM 263 CD ARG A 18 5.153 -1.889 -17.293 1.00 0.00 C ATOM 264 NE ARG A 18 5.038 -2.061 -18.768 1.00 0.00 N ATOM 265 CZ ARG A 18 5.522 -3.129 -19.341 1.00 0.00 C ATOM 266 NH1 ARG A 18 4.807 -4.221 -19.395 1.00 0.00 N ATOM 267 NH2 ARG A 18 6.718 -3.106 -19.862 1.00 0.00 N ATOM 0 H ARG A 18 4.593 2.027 -16.090 1.00 0.00 H new ATOM 0 HA ARG A 18 3.739 0.403 -13.779 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.632 -1.390 -15.433 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.908 0.038 -16.145 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.486 0.105 -17.794 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.790 0.065 -16.625 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.152 -2.170 -16.960 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.450 -2.548 -16.783 1.00 0.00 H new ATOM 0 HE ARG A 18 4.581 -1.344 -19.331 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.871 -4.238 -18.990 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.185 -5.056 -19.843 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.276 -2.253 -19.822 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.095 -3.941 -20.310 1.00 0.00 H new ATOM 281 N ALA A 19 6.703 0.831 -13.938 1.00 0.00 N ATOM 282 CA ALA A 19 8.067 0.376 -13.548 1.00 0.00 C ATOM 283 C ALA A 19 8.782 1.496 -12.789 1.00 0.00 C ATOM 284 O ALA A 19 9.380 1.274 -11.755 1.00 0.00 O ATOM 285 CB ALA A 19 8.865 0.017 -14.803 1.00 0.00 C ATOM 0 H ALA A 19 6.564 1.842 -13.937 1.00 0.00 H new ATOM 0 HA ALA A 19 7.987 -0.502 -12.907 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.863 -0.316 -14.517 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.356 -0.783 -15.341 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.945 0.893 -15.446 1.00 0.00 H new ATOM 291 N GLN A 20 8.729 2.699 -13.293 1.00 0.00 N ATOM 292 CA GLN A 20 9.408 3.826 -12.596 1.00 0.00 C ATOM 293 C GLN A 20 8.920 3.895 -11.148 1.00 0.00 C ATOM 294 O GLN A 20 9.634 4.321 -10.261 1.00 0.00 O ATOM 295 CB GLN A 20 9.082 5.141 -13.307 1.00 0.00 C ATOM 296 CG GLN A 20 9.778 5.174 -14.669 1.00 0.00 C ATOM 297 CD GLN A 20 10.425 6.544 -14.880 1.00 0.00 C ATOM 298 OE1 GLN A 20 11.564 6.635 -15.292 1.00 0.00 O ATOM 299 NE2 GLN A 20 9.740 7.622 -14.613 1.00 0.00 N ATOM 0 H GLN A 20 8.246 2.949 -14.156 1.00 0.00 H new ATOM 0 HA GLN A 20 10.486 3.665 -12.611 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.004 5.239 -13.436 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.409 5.985 -12.700 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.535 4.391 -14.721 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.057 4.975 -15.462 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.783 7.546 -14.267 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.161 8.541 -14.750 1.00 0.00 H new ATOM 308 N ALA A 21 7.709 3.476 -10.899 1.00 0.00 N ATOM 309 CA ALA A 21 7.180 3.517 -9.507 1.00 0.00 C ATOM 310 C ALA A 21 8.107 2.715 -8.591 1.00 0.00 C ATOM 311 O ALA A 21 8.465 3.153 -7.516 1.00 0.00 O ATOM 312 CB ALA A 21 5.779 2.904 -9.474 1.00 0.00 C ATOM 0 H ALA A 21 7.064 3.108 -11.598 1.00 0.00 H new ATOM 0 HA ALA A 21 7.131 4.551 -9.166 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.393 2.934 -8.455 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.118 3.471 -10.130 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.827 1.869 -9.813 1.00 0.00 H new ATOM 318 N GLU A 22 8.500 1.543 -9.011 1.00 0.00 N ATOM 319 CA GLU A 22 9.406 0.715 -8.167 1.00 0.00 C ATOM 320 C GLU A 22 10.775 1.391 -8.078 1.00 0.00 C ATOM 321 O GLU A 22 11.512 1.199 -7.132 1.00 0.00 O ATOM 322 CB GLU A 22 9.561 -0.673 -8.793 1.00 0.00 C ATOM 323 CG GLU A 22 8.571 -1.640 -8.142 1.00 0.00 C ATOM 324 CD GLU A 22 8.844 -1.716 -6.638 1.00 0.00 C ATOM 325 OE1 GLU A 22 8.282 -0.911 -5.913 1.00 0.00 O ATOM 326 OE2 GLU A 22 9.611 -2.576 -6.238 1.00 0.00 O ATOM 0 H GLU A 22 8.233 1.124 -9.902 1.00 0.00 H new ATOM 0 HA GLU A 22 8.983 0.616 -7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.382 -0.621 -9.867 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.581 -1.033 -8.657 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.549 -1.305 -8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.665 -2.629 -8.590 1.00 0.00 H new ATOM 333 N HIS A 23 11.120 2.184 -9.055 1.00 0.00 N ATOM 334 CA HIS A 23 12.440 2.873 -9.023 1.00 0.00 C ATOM 335 C HIS A 23 12.480 3.834 -7.835 1.00 0.00 C ATOM 336 O HIS A 23 13.473 3.942 -7.143 1.00 0.00 O ATOM 337 CB HIS A 23 12.641 3.656 -10.322 1.00 0.00 C ATOM 338 CG HIS A 23 13.961 3.280 -10.936 1.00 0.00 C ATOM 339 ND1 HIS A 23 14.060 2.373 -11.979 1.00 0.00 N ATOM 340 CD2 HIS A 23 15.247 3.681 -10.665 1.00 0.00 C ATOM 341 CE1 HIS A 23 15.363 2.257 -12.295 1.00 0.00 C ATOM 342 NE2 HIS A 23 16.130 3.033 -11.524 1.00 0.00 N ATOM 0 H HIS A 23 10.545 2.384 -9.873 1.00 0.00 H new ATOM 0 HA HIS A 23 13.235 2.134 -8.921 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.830 3.441 -11.018 1.00 0.00 H new ATOM 0 HB3 HIS A 23 12.613 4.727 -10.121 1.00 0.00 H new ATOM 0 HD2 HIS A 23 15.530 4.391 -9.902 1.00 0.00 H new ATOM 0 HE1 HIS A 23 15.742 1.615 -13.076 1.00 0.00 H new ATOM 0 HE2 HIS A 23 17.145 3.130 -11.558 1.00 0.00 H new ATOM 350 N MET A 24 11.405 4.532 -7.590 1.00 0.00 N ATOM 351 CA MET A 24 11.379 5.483 -6.445 1.00 0.00 C ATOM 352 C MET A 24 11.640 4.718 -5.145 1.00 0.00 C ATOM 353 O MET A 24 12.419 5.138 -4.312 1.00 0.00 O ATOM 354 CB MET A 24 10.008 6.157 -6.371 1.00 0.00 C ATOM 355 CG MET A 24 9.631 6.699 -7.751 1.00 0.00 C ATOM 356 SD MET A 24 9.277 8.470 -7.626 1.00 0.00 S ATOM 357 CE MET A 24 9.154 8.803 -9.400 1.00 0.00 C ATOM 0 H MET A 24 10.544 4.484 -8.134 1.00 0.00 H new ATOM 0 HA MET A 24 12.149 6.242 -6.585 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.258 5.443 -6.032 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.028 6.968 -5.643 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.445 6.529 -8.456 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.760 6.169 -8.136 1.00 0.00 H new ATOM 0 HE1 MET A 24 8.936 9.859 -9.558 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.098 8.551 -9.884 1.00 0.00 H new ATOM 0 HE3 MET A 24 8.354 8.199 -9.829 1.00 0.00 H new ATOM 367 N LEU A 25 10.994 3.599 -4.967 1.00 0.00 N ATOM 368 CA LEU A 25 11.203 2.806 -3.723 1.00 0.00 C ATOM 369 C LEU A 25 12.614 2.216 -3.730 1.00 0.00 C ATOM 370 O LEU A 25 13.149 1.845 -2.704 1.00 0.00 O ATOM 371 CB LEU A 25 10.177 1.673 -3.666 1.00 0.00 C ATOM 372 CG LEU A 25 8.774 2.248 -3.869 1.00 0.00 C ATOM 373 CD1 LEU A 25 7.734 1.159 -3.605 1.00 0.00 C ATOM 374 CD2 LEU A 25 8.555 3.408 -2.897 1.00 0.00 C ATOM 0 H LEU A 25 10.330 3.199 -5.630 1.00 0.00 H new ATOM 0 HA LEU A 25 11.082 3.451 -2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.393 0.932 -4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.237 1.161 -2.706 1.00 0.00 H new ATOM 0 HG LEU A 25 8.672 2.607 -4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.734 1.568 -3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.891 0.331 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.835 0.800 -2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.556 3.819 -3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.656 3.049 -1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.297 4.184 -3.084 1.00 0.00 H new ATOM 386 N MET A 26 13.224 2.129 -4.881 1.00 0.00 N ATOM 387 CA MET A 26 14.599 1.567 -4.956 1.00 0.00 C ATOM 388 C MET A 26 15.607 2.645 -4.556 1.00 0.00 C ATOM 389 O MET A 26 16.730 2.358 -4.194 1.00 0.00 O ATOM 390 CB MET A 26 14.880 1.106 -6.387 1.00 0.00 C ATOM 391 CG MET A 26 16.354 0.727 -6.524 1.00 0.00 C ATOM 392 SD MET A 26 16.493 -0.844 -7.412 1.00 0.00 S ATOM 393 CE MET A 26 18.015 -1.420 -6.619 1.00 0.00 C ATOM 0 H MET A 26 12.827 2.424 -5.773 1.00 0.00 H new ATOM 0 HA MET A 26 14.688 0.718 -4.278 1.00 0.00 H new ATOM 0 HB2 MET A 26 14.250 0.252 -6.635 1.00 0.00 H new ATOM 0 HB3 MET A 26 14.631 1.900 -7.091 1.00 0.00 H new ATOM 0 HG2 MET A 26 16.893 1.509 -7.059 1.00 0.00 H new ATOM 0 HG3 MET A 26 16.812 0.642 -5.538 1.00 0.00 H new ATOM 0 HE1 MET A 26 18.291 -2.393 -7.025 1.00 0.00 H new ATOM 0 HE2 MET A 26 18.817 -0.707 -6.810 1.00 0.00 H new ATOM 0 HE3 MET A 26 17.855 -1.507 -5.544 1.00 0.00 H new ATOM 403 N ARG A 27 15.212 3.888 -4.616 1.00 0.00 N ATOM 404 CA ARG A 27 16.144 4.985 -4.237 1.00 0.00 C ATOM 405 C ARG A 27 16.396 4.941 -2.729 1.00 0.00 C ATOM 406 O ARG A 27 17.429 5.366 -2.250 1.00 0.00 O ATOM 407 CB ARG A 27 15.522 6.331 -4.610 1.00 0.00 C ATOM 408 CG ARG A 27 16.102 6.814 -5.940 1.00 0.00 C ATOM 409 CD ARG A 27 16.703 8.208 -5.758 1.00 0.00 C ATOM 410 NE ARG A 27 16.743 8.905 -7.074 1.00 0.00 N ATOM 411 CZ ARG A 27 16.939 10.194 -7.122 1.00 0.00 C ATOM 412 NH1 ARG A 27 16.034 11.010 -6.656 1.00 0.00 N ATOM 413 NH2 ARG A 27 18.041 10.667 -7.636 1.00 0.00 N ATOM 0 H ARG A 27 14.284 4.190 -4.911 1.00 0.00 H new ATOM 0 HA ARG A 27 17.088 4.860 -4.767 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.439 6.233 -4.688 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.720 7.064 -3.828 1.00 0.00 H new ATOM 0 HG2 ARG A 27 16.866 6.120 -6.289 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.322 6.839 -6.701 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.108 8.783 -5.048 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.708 8.131 -5.344 1.00 0.00 H new ATOM 0 HE ARG A 27 16.617 8.375 -7.936 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.173 10.640 -6.254 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.188 12.018 -6.694 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.749 10.029 -8.000 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.195 11.675 -7.674 1.00 0.00 H new ATOM 427 N VAL A 28 15.460 4.432 -1.976 1.00 0.00 N ATOM 428 CA VAL A 28 15.647 4.363 -0.500 1.00 0.00 C ATOM 429 C VAL A 28 16.418 3.080 -0.145 1.00 0.00 C ATOM 430 O VAL A 28 15.958 1.990 -0.418 1.00 0.00 O ATOM 431 CB VAL A 28 14.277 4.359 0.187 1.00 0.00 C ATOM 432 CG1 VAL A 28 13.339 3.383 -0.527 1.00 0.00 C ATOM 433 CG2 VAL A 28 14.440 3.935 1.647 1.00 0.00 C ATOM 0 H VAL A 28 14.574 4.061 -2.319 1.00 0.00 H new ATOM 0 HA VAL A 28 16.215 5.229 -0.158 1.00 0.00 H new ATOM 0 HB VAL A 28 13.851 5.361 0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.367 3.385 -0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.219 3.688 -1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.762 2.379 -0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.466 3.932 2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.870 2.934 1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.100 4.636 2.158 1.00 0.00 H new ATOM 443 N PRO A 29 17.572 3.252 0.450 1.00 0.00 N ATOM 444 CA PRO A 29 18.478 2.148 0.870 1.00 0.00 C ATOM 445 C PRO A 29 17.997 1.536 2.188 1.00 0.00 C ATOM 446 O PRO A 29 18.378 1.969 3.257 1.00 0.00 O ATOM 447 CB PRO A 29 19.850 2.793 1.055 1.00 0.00 C ATOM 448 CG PRO A 29 19.591 4.282 1.308 1.00 0.00 C ATOM 449 CD PRO A 29 18.172 4.571 0.801 1.00 0.00 C ATOM 0 HA PRO A 29 18.504 1.345 0.134 1.00 0.00 H new ATOM 0 HB2 PRO A 29 20.382 2.343 1.893 1.00 0.00 H new ATOM 0 HB3 PRO A 29 20.470 2.650 0.170 1.00 0.00 H new ATOM 0 HG2 PRO A 29 19.679 4.516 2.369 1.00 0.00 H new ATOM 0 HG3 PRO A 29 20.323 4.897 0.784 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.581 5.075 1.566 1.00 0.00 H new ATOM 0 HD3 PRO A 29 18.197 5.230 -0.067 1.00 0.00 H new ATOM 457 N ARG A 30 17.164 0.530 2.117 1.00 0.00 N ATOM 458 CA ARG A 30 16.653 -0.119 3.361 1.00 0.00 C ATOM 459 C ARG A 30 15.772 0.868 4.132 1.00 0.00 C ATOM 460 O ARG A 30 16.199 1.945 4.495 1.00 0.00 O ATOM 461 CB ARG A 30 17.831 -0.549 4.241 1.00 0.00 C ATOM 462 CG ARG A 30 18.868 -1.282 3.387 1.00 0.00 C ATOM 463 CD ARG A 30 19.290 -2.570 4.096 1.00 0.00 C ATOM 464 NE ARG A 30 19.875 -3.518 3.107 1.00 0.00 N ATOM 465 CZ ARG A 30 20.567 -4.546 3.518 1.00 0.00 C ATOM 466 NH1 ARG A 30 20.042 -5.388 4.365 1.00 0.00 N ATOM 467 NH2 ARG A 30 21.783 -4.730 3.083 1.00 0.00 N ATOM 0 H ARG A 30 16.814 0.129 1.247 1.00 0.00 H new ATOM 0 HA ARG A 30 16.064 -0.996 3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 30 18.284 0.323 4.712 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.481 -1.199 5.043 1.00 0.00 H new ATOM 0 HG2 ARG A 30 18.451 -1.513 2.407 1.00 0.00 H new ATOM 0 HG3 ARG A 30 19.736 -0.644 3.221 1.00 0.00 H new ATOM 0 HD2 ARG A 30 20.019 -2.346 4.875 1.00 0.00 H new ATOM 0 HD3 ARG A 30 18.430 -3.026 4.586 1.00 0.00 H new ATOM 0 HE ARG A 30 19.735 -3.364 2.108 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.092 -5.243 4.706 1.00 0.00 H new ATOM 0 HH12 ARG A 30 20.582 -6.191 4.687 1.00 0.00 H new ATOM 0 HH21 ARG A 30 22.193 -4.071 2.422 1.00 0.00 H new ATOM 0 HH22 ARG A 30 22.323 -5.533 3.404 1.00 0.00 H new ATOM 481 N ASP A 31 14.542 0.511 4.383 1.00 0.00 N ATOM 482 CA ASP A 31 13.641 1.435 5.126 1.00 0.00 C ATOM 483 C ASP A 31 12.269 0.786 5.313 1.00 0.00 C ATOM 484 O ASP A 31 12.150 -0.417 5.436 1.00 0.00 O ATOM 485 CB ASP A 31 13.491 2.735 4.335 1.00 0.00 C ATOM 486 CG ASP A 31 13.353 3.910 5.304 1.00 0.00 C ATOM 487 OD1 ASP A 31 14.346 4.263 5.918 1.00 0.00 O ATOM 488 OD2 ASP A 31 12.259 4.437 5.414 1.00 0.00 O ATOM 0 H ASP A 31 14.124 -0.377 4.107 1.00 0.00 H new ATOM 0 HA ASP A 31 14.069 1.648 6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.357 2.882 3.690 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.616 2.680 3.687 1.00 0.00 H new ATOM 493 N GLY A 32 11.233 1.576 5.338 1.00 0.00 N ATOM 494 CA GLY A 32 9.866 1.018 5.521 1.00 0.00 C ATOM 495 C GLY A 32 8.840 2.139 5.357 1.00 0.00 C ATOM 496 O GLY A 32 8.527 2.844 6.291 1.00 0.00 O ATOM 0 H GLY A 32 11.275 2.590 5.239 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.681 0.230 4.791 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.774 0.566 6.509 1.00 0.00 H new ATOM 500 N ALA A 33 8.325 2.314 4.172 1.00 0.00 N ATOM 501 CA ALA A 33 7.321 3.397 3.936 1.00 0.00 C ATOM 502 C ALA A 33 6.397 2.981 2.794 1.00 0.00 C ATOM 503 O ALA A 33 6.753 2.148 1.984 1.00 0.00 O ATOM 504 CB ALA A 33 8.051 4.685 3.549 1.00 0.00 C ATOM 0 H ALA A 33 8.555 1.753 3.352 1.00 0.00 H new ATOM 0 HA ALA A 33 6.738 3.563 4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.323 5.478 3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.723 4.979 4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.628 4.517 2.640 1.00 0.00 H new ATOM 510 N PHE A 34 5.214 3.541 2.711 1.00 0.00 N ATOM 511 CA PHE A 34 4.305 3.120 1.583 1.00 0.00 C ATOM 512 C PHE A 34 3.876 4.300 0.704 1.00 0.00 C ATOM 513 O PHE A 34 4.033 5.454 1.046 1.00 0.00 O ATOM 514 CB PHE A 34 3.059 2.392 2.121 1.00 0.00 C ATOM 515 CG PHE A 34 1.906 3.353 2.372 1.00 0.00 C ATOM 516 CD1 PHE A 34 2.142 4.664 2.812 1.00 0.00 C ATOM 517 CD2 PHE A 34 0.593 2.923 2.142 1.00 0.00 C ATOM 518 CE1 PHE A 34 1.065 5.538 3.019 1.00 0.00 C ATOM 519 CE2 PHE A 34 -0.481 3.796 2.354 1.00 0.00 C ATOM 520 CZ PHE A 34 -0.245 5.103 2.791 1.00 0.00 C ATOM 0 H PHE A 34 4.842 4.247 3.347 1.00 0.00 H new ATOM 0 HA PHE A 34 4.883 2.436 0.961 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.747 1.629 1.407 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.311 1.877 3.048 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.153 5.000 2.991 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.408 1.915 1.800 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.247 6.548 3.355 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.492 3.460 2.180 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.074 5.777 2.952 1.00 0.00 H new ATOM 530 N LEU A 35 3.306 3.980 -0.428 1.00 0.00 N ATOM 531 CA LEU A 35 2.809 5.016 -1.375 1.00 0.00 C ATOM 532 C LEU A 35 1.607 4.421 -2.116 1.00 0.00 C ATOM 533 O LEU A 35 1.488 3.219 -2.239 1.00 0.00 O ATOM 534 CB LEU A 35 3.901 5.378 -2.390 1.00 0.00 C ATOM 535 CG LEU A 35 5.269 5.394 -1.707 1.00 0.00 C ATOM 536 CD1 LEU A 35 6.370 5.350 -2.768 1.00 0.00 C ATOM 537 CD2 LEU A 35 5.410 6.677 -0.883 1.00 0.00 C ATOM 0 H LEU A 35 3.162 3.020 -0.741 1.00 0.00 H new ATOM 0 HA LEU A 35 2.531 5.920 -0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.902 4.657 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.693 6.355 -2.827 1.00 0.00 H new ATOM 0 HG LEU A 35 5.359 4.527 -1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.345 5.361 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.270 4.439 -3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.281 6.218 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.385 6.691 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.321 7.543 -1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.625 6.712 -0.127 1.00 0.00 H new ATOM 549 N VAL A 36 0.710 5.232 -2.604 1.00 0.00 N ATOM 550 CA VAL A 36 -0.470 4.668 -3.322 1.00 0.00 C ATOM 551 C VAL A 36 -0.567 5.283 -4.719 1.00 0.00 C ATOM 552 O VAL A 36 -0.281 6.447 -4.919 1.00 0.00 O ATOM 553 CB VAL A 36 -1.747 4.968 -2.529 1.00 0.00 C ATOM 554 CG1 VAL A 36 -2.973 4.757 -3.421 1.00 0.00 C ATOM 555 CG2 VAL A 36 -1.827 4.023 -1.329 1.00 0.00 C ATOM 0 H VAL A 36 0.740 6.249 -2.539 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.353 3.588 -3.416 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.725 6.002 -2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.878 4.972 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.917 5.425 -4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.998 3.723 -3.766 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.734 4.232 -0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.848 2.991 -1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.956 4.172 -0.690 1.00 0.00 H new ATOM 565 N ARG A 37 -0.970 4.507 -5.689 1.00 0.00 N ATOM 566 CA ARG A 37 -1.086 5.045 -7.071 1.00 0.00 C ATOM 567 C ARG A 37 -2.264 4.374 -7.777 1.00 0.00 C ATOM 568 O ARG A 37 -3.069 3.704 -7.160 1.00 0.00 O ATOM 569 CB ARG A 37 0.206 4.764 -7.841 1.00 0.00 C ATOM 570 CG ARG A 37 0.437 3.255 -7.920 1.00 0.00 C ATOM 571 CD ARG A 37 1.555 2.960 -8.923 1.00 0.00 C ATOM 572 NE ARG A 37 1.031 2.067 -9.995 1.00 0.00 N ATOM 573 CZ ARG A 37 1.709 1.903 -11.098 1.00 0.00 C ATOM 574 NH1 ARG A 37 2.607 0.959 -11.176 1.00 0.00 N ATOM 575 NH2 ARG A 37 1.492 2.684 -12.121 1.00 0.00 N ATOM 0 H ARG A 37 -1.223 3.525 -5.582 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.252 6.122 -7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.143 5.186 -8.844 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.049 5.246 -7.346 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.704 2.866 -6.937 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.481 2.752 -8.224 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.925 3.889 -9.356 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.397 2.486 -8.418 1.00 0.00 H new ATOM 0 HE ARG A 37 0.142 1.584 -9.867 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.778 0.351 -10.375 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.138 0.830 -12.038 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.792 3.423 -12.059 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.022 2.555 -12.983 1.00 0.00 H new ATOM 589 N LYS A 38 -2.377 4.546 -9.065 1.00 0.00 N ATOM 590 CA LYS A 38 -3.508 3.915 -9.802 1.00 0.00 C ATOM 591 C LYS A 38 -2.970 3.190 -11.037 1.00 0.00 C ATOM 592 O LYS A 38 -1.894 3.482 -11.522 1.00 0.00 O ATOM 593 CB LYS A 38 -4.501 4.995 -10.235 1.00 0.00 C ATOM 594 CG LYS A 38 -5.930 4.491 -10.025 1.00 0.00 C ATOM 595 CD LYS A 38 -6.179 4.263 -8.533 1.00 0.00 C ATOM 596 CE LYS A 38 -5.763 5.509 -7.748 1.00 0.00 C ATOM 597 NZ LYS A 38 -6.438 6.707 -8.322 1.00 0.00 N ATOM 0 H LYS A 38 -1.736 5.095 -9.638 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.012 3.200 -9.152 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.337 5.906 -9.659 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.344 5.248 -11.283 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.643 5.216 -10.417 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.084 3.563 -10.576 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.233 4.046 -8.359 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.614 3.397 -8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.031 5.396 -6.697 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.681 5.633 -7.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.668 7.375 -7.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.805 7.168 -9.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.313 6.416 -8.802 1.00 0.00 H new ATOM 611 N ARG A 39 -3.710 2.245 -11.551 1.00 0.00 N ATOM 612 CA ARG A 39 -3.241 1.503 -12.754 1.00 0.00 C ATOM 613 C ARG A 39 -3.387 2.397 -13.987 1.00 0.00 C ATOM 614 O ARG A 39 -3.384 3.609 -13.891 1.00 0.00 O ATOM 615 CB ARG A 39 -4.088 0.242 -12.937 1.00 0.00 C ATOM 616 CG ARG A 39 -4.095 -0.561 -11.636 1.00 0.00 C ATOM 617 CD ARG A 39 -2.762 -1.296 -11.482 1.00 0.00 C ATOM 618 NE ARG A 39 -2.581 -2.249 -12.614 1.00 0.00 N ATOM 619 CZ ARG A 39 -3.607 -2.900 -13.093 1.00 0.00 C ATOM 620 NH1 ARG A 39 -4.332 -3.644 -12.303 1.00 0.00 N ATOM 621 NH2 ARG A 39 -3.908 -2.805 -14.359 1.00 0.00 N ATOM 0 H ARG A 39 -4.619 1.956 -11.189 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.195 1.223 -12.626 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.107 0.512 -13.215 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.686 -0.364 -13.749 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.256 0.103 -10.787 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.918 -1.276 -11.642 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.941 -0.580 -11.462 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.739 -1.834 -10.534 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.654 -2.393 -13.015 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.097 -3.716 -11.313 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.134 -4.153 -12.675 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.342 -2.222 -14.975 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.709 -3.314 -14.732 1.00 0.00 H new ATOM 635 N ASN A 40 -3.517 1.810 -15.144 1.00 0.00 N ATOM 636 CA ASN A 40 -3.666 2.629 -16.380 1.00 0.00 C ATOM 637 C ASN A 40 -5.147 2.945 -16.603 1.00 0.00 C ATOM 638 O ASN A 40 -5.648 2.885 -17.708 1.00 0.00 O ATOM 639 CB ASN A 40 -3.121 1.847 -17.578 1.00 0.00 C ATOM 640 CG ASN A 40 -1.773 2.434 -17.999 1.00 0.00 C ATOM 641 OD1 ASN A 40 -0.755 1.777 -17.907 1.00 0.00 O ATOM 642 ND2 ASN A 40 -1.722 3.654 -18.460 1.00 0.00 N ATOM 0 H ASN A 40 -3.527 0.800 -15.287 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.109 3.559 -16.272 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -3.006 0.795 -17.317 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -3.826 1.895 -18.408 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.828 4.055 -18.743 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.576 4.206 -18.537 1.00 0.00 H new ATOM 649 N GLU A 41 -5.851 3.280 -15.558 1.00 0.00 N ATOM 650 CA GLU A 41 -7.299 3.598 -15.702 1.00 0.00 C ATOM 651 C GLU A 41 -7.932 3.710 -14.315 1.00 0.00 C ATOM 652 O GLU A 41 -7.300 3.424 -13.318 1.00 0.00 O ATOM 653 CB GLU A 41 -7.992 2.485 -16.491 1.00 0.00 C ATOM 654 CG GLU A 41 -8.418 3.020 -17.860 1.00 0.00 C ATOM 655 CD GLU A 41 -9.837 2.542 -18.177 1.00 0.00 C ATOM 656 OE1 GLU A 41 -10.281 1.602 -17.538 1.00 0.00 O ATOM 657 OE2 GLU A 41 -10.453 3.124 -19.054 1.00 0.00 O ATOM 0 H GLU A 41 -5.485 3.347 -14.608 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.414 4.543 -16.234 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.318 1.637 -16.614 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.862 2.124 -15.943 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.381 4.109 -17.864 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.726 2.674 -18.628 1.00 0.00 H new ATOM 664 N PRO A 42 -9.166 4.133 -14.303 1.00 0.00 N ATOM 665 CA PRO A 42 -9.995 4.326 -13.084 1.00 0.00 C ATOM 666 C PRO A 42 -10.601 2.992 -12.640 1.00 0.00 C ATOM 667 O PRO A 42 -11.803 2.856 -12.523 1.00 0.00 O ATOM 668 CB PRO A 42 -11.106 5.285 -13.498 1.00 0.00 C ATOM 669 CG PRO A 42 -11.241 5.147 -15.017 1.00 0.00 C ATOM 670 CD PRO A 42 -9.945 4.500 -15.518 1.00 0.00 C ATOM 0 HA PRO A 42 -9.406 4.713 -12.252 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.042 5.035 -12.999 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.860 6.310 -13.220 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.104 4.534 -15.275 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.392 6.121 -15.482 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.159 3.619 -16.124 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.383 5.191 -16.147 1.00 0.00 H new ATOM 678 N ASN A 43 -9.787 2.004 -12.395 1.00 0.00 N ATOM 679 CA ASN A 43 -10.329 0.688 -11.964 1.00 0.00 C ATOM 680 C ASN A 43 -9.727 0.304 -10.607 1.00 0.00 C ATOM 681 O ASN A 43 -10.063 0.878 -9.590 1.00 0.00 O ATOM 682 CB ASN A 43 -9.987 -0.369 -13.019 1.00 0.00 C ATOM 683 CG ASN A 43 -8.589 -0.100 -13.578 1.00 0.00 C ATOM 684 OD1 ASN A 43 -7.691 0.271 -12.849 1.00 0.00 O ATOM 685 ND2 ASN A 43 -8.366 -0.272 -14.852 1.00 0.00 N ATOM 0 H ASN A 43 -8.771 2.052 -12.475 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.412 0.749 -11.861 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.028 -1.365 -12.578 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.722 -0.346 -13.823 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.438 -0.095 -15.236 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.120 -0.584 -15.464 1.00 0.00 H new ATOM 692 N SER A 44 -8.846 -0.656 -10.576 1.00 0.00 N ATOM 693 CA SER A 44 -8.233 -1.067 -9.281 1.00 0.00 C ATOM 694 C SER A 44 -7.224 -0.007 -8.832 1.00 0.00 C ATOM 695 O SER A 44 -7.204 1.099 -9.333 1.00 0.00 O ATOM 696 CB SER A 44 -7.517 -2.406 -9.460 1.00 0.00 C ATOM 697 OG SER A 44 -6.512 -2.271 -10.455 1.00 0.00 O ATOM 0 H SER A 44 -8.523 -1.175 -11.392 1.00 0.00 H new ATOM 0 HA SER A 44 -9.013 -1.168 -8.527 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.071 -2.722 -8.517 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.231 -3.177 -9.750 1.00 0.00 H new ATOM 0 HG SER A 44 -5.855 -2.991 -10.356 1.00 0.00 H new ATOM 703 N TYR A 45 -6.385 -0.340 -7.889 1.00 0.00 N ATOM 704 CA TYR A 45 -5.375 0.642 -7.404 1.00 0.00 C ATOM 705 C TYR A 45 -4.065 -0.088 -7.107 1.00 0.00 C ATOM 706 O TYR A 45 -3.968 -1.290 -7.260 1.00 0.00 O ATOM 707 CB TYR A 45 -5.887 1.309 -6.126 1.00 0.00 C ATOM 708 CG TYR A 45 -7.369 1.574 -6.252 1.00 0.00 C ATOM 709 CD1 TYR A 45 -8.276 0.509 -6.206 1.00 0.00 C ATOM 710 CD2 TYR A 45 -7.834 2.884 -6.416 1.00 0.00 C ATOM 711 CE1 TYR A 45 -9.650 0.753 -6.323 1.00 0.00 C ATOM 712 CE2 TYR A 45 -9.208 3.129 -6.532 1.00 0.00 C ATOM 713 CZ TYR A 45 -10.116 2.064 -6.486 1.00 0.00 C ATOM 714 OH TYR A 45 -11.470 2.306 -6.599 1.00 0.00 O ATOM 0 H TYR A 45 -6.356 -1.252 -7.433 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.206 1.402 -8.167 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.694 0.667 -5.266 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.354 2.244 -5.953 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.916 -0.501 -6.080 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.134 3.705 -6.453 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.350 -0.069 -6.288 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.567 4.140 -6.657 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.623 3.268 -6.705 1.00 0.00 H new ATOM 724 N ALA A 46 -3.054 0.619 -6.677 1.00 0.00 N ATOM 725 CA ALA A 46 -1.761 -0.052 -6.371 1.00 0.00 C ATOM 726 C ALA A 46 -1.160 0.555 -5.104 1.00 0.00 C ATOM 727 O ALA A 46 -1.639 1.547 -4.591 1.00 0.00 O ATOM 728 CB ALA A 46 -0.791 0.138 -7.539 1.00 0.00 C ATOM 0 H ALA A 46 -3.069 1.628 -6.525 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.935 -1.117 -6.218 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.154 -0.355 -7.311 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.219 -0.298 -8.442 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.616 1.202 -7.698 1.00 0.00 H new ATOM 734 N ILE A 47 -0.116 -0.034 -4.591 1.00 0.00 N ATOM 735 CA ILE A 47 0.512 0.507 -3.355 1.00 0.00 C ATOM 736 C ILE A 47 2.024 0.287 -3.412 1.00 0.00 C ATOM 737 O ILE A 47 2.512 -0.793 -3.148 1.00 0.00 O ATOM 738 CB ILE A 47 -0.059 -0.214 -2.132 1.00 0.00 C ATOM 739 CG1 ILE A 47 -1.586 -0.270 -2.233 1.00 0.00 C ATOM 740 CG2 ILE A 47 0.336 0.542 -0.863 1.00 0.00 C ATOM 741 CD1 ILE A 47 -2.133 -1.237 -1.181 1.00 0.00 C ATOM 0 H ILE A 47 0.329 -0.867 -4.975 1.00 0.00 H new ATOM 0 HA ILE A 47 0.301 1.574 -3.280 1.00 0.00 H new ATOM 0 HB ILE A 47 0.340 -1.228 -2.094 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.008 0.724 -2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.883 -0.595 -3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.071 0.028 0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.423 0.581 -0.786 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.062 1.556 -0.905 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.220 -1.276 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.722 -2.232 -1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.848 -0.893 -0.187 1.00 0.00 H new ATOM 753 N SER A 48 2.769 1.304 -3.750 1.00 0.00 N ATOM 754 CA SER A 48 4.249 1.152 -3.819 1.00 0.00 C ATOM 755 C SER A 48 4.839 1.358 -2.424 1.00 0.00 C ATOM 756 O SER A 48 4.993 2.472 -1.964 1.00 0.00 O ATOM 757 CB SER A 48 4.826 2.200 -4.772 1.00 0.00 C ATOM 758 OG SER A 48 3.955 3.322 -4.819 1.00 0.00 O ATOM 0 H SER A 48 2.416 2.233 -3.981 1.00 0.00 H new ATOM 0 HA SER A 48 4.498 0.155 -4.182 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.816 2.508 -4.436 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.945 1.775 -5.769 1.00 0.00 H new ATOM 0 HG SER A 48 4.323 3.996 -5.428 1.00 0.00 H new ATOM 764 N PHE A 49 5.169 0.295 -1.744 1.00 0.00 N ATOM 765 CA PHE A 49 5.745 0.444 -0.380 1.00 0.00 C ATOM 766 C PHE A 49 6.930 -0.510 -0.211 1.00 0.00 C ATOM 767 O PHE A 49 6.871 -1.664 -0.584 1.00 0.00 O ATOM 768 CB PHE A 49 4.664 0.138 0.666 1.00 0.00 C ATOM 769 CG PHE A 49 4.522 -1.352 0.863 1.00 0.00 C ATOM 770 CD1 PHE A 49 3.809 -2.115 -0.068 1.00 0.00 C ATOM 771 CD2 PHE A 49 5.096 -1.968 1.982 1.00 0.00 C ATOM 772 CE1 PHE A 49 3.671 -3.495 0.118 1.00 0.00 C ATOM 773 CE2 PHE A 49 4.959 -3.348 2.168 1.00 0.00 C ATOM 774 CZ PHE A 49 4.245 -4.112 1.237 1.00 0.00 C ATOM 0 H PHE A 49 5.065 -0.665 -2.072 1.00 0.00 H new ATOM 0 HA PHE A 49 6.096 1.466 -0.242 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.922 0.613 1.613 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.711 0.561 0.347 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.365 -1.639 -0.930 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.644 -1.378 2.701 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.122 -4.085 -0.601 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.404 -3.824 3.029 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.137 -5.177 1.382 1.00 0.00 H new ATOM 784 N ARG A 50 8.004 -0.031 0.353 1.00 0.00 N ATOM 785 CA ARG A 50 9.193 -0.903 0.550 1.00 0.00 C ATOM 786 C ARG A 50 9.325 -1.249 2.033 1.00 0.00 C ATOM 787 O ARG A 50 8.876 -0.518 2.894 1.00 0.00 O ATOM 788 CB ARG A 50 10.449 -0.164 0.088 1.00 0.00 C ATOM 789 CG ARG A 50 10.592 1.136 0.881 1.00 0.00 C ATOM 790 CD ARG A 50 10.191 2.317 -0.002 1.00 0.00 C ATOM 791 NE ARG A 50 10.132 3.556 0.822 1.00 0.00 N ATOM 792 CZ ARG A 50 10.095 4.725 0.242 1.00 0.00 C ATOM 793 NH1 ARG A 50 9.103 5.029 -0.548 1.00 0.00 N ATOM 794 NH2 ARG A 50 11.051 5.588 0.452 1.00 0.00 N ATOM 0 H ARG A 50 8.109 0.927 0.686 1.00 0.00 H new ATOM 0 HA ARG A 50 9.075 -1.818 -0.031 1.00 0.00 H new ATOM 0 HB2 ARG A 50 11.328 -0.791 0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.386 0.052 -0.978 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.963 1.103 1.771 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.620 1.256 1.222 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.910 2.440 -0.812 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.222 2.128 -0.463 1.00 0.00 H new ATOM 0 HE ARG A 50 10.120 3.491 1.840 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.357 4.354 -0.712 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.074 5.942 -1.001 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.827 5.349 1.069 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.022 6.501 -0.001 1.00 0.00 H new ATOM 808 N ALA A 51 9.940 -2.358 2.335 1.00 0.00 N ATOM 809 CA ALA A 51 10.108 -2.758 3.759 1.00 0.00 C ATOM 810 C ALA A 51 11.256 -3.764 3.864 1.00 0.00 C ATOM 811 O ALA A 51 11.736 -4.276 2.873 1.00 0.00 O ATOM 812 CB ALA A 51 8.813 -3.398 4.261 1.00 0.00 C ATOM 0 H ALA A 51 10.335 -3.007 1.654 1.00 0.00 H new ATOM 0 HA ALA A 51 10.335 -1.882 4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.933 -3.692 5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.997 -2.681 4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.585 -4.278 3.660 1.00 0.00 H new ATOM 818 N GLU A 52 11.706 -4.049 5.056 1.00 0.00 N ATOM 819 CA GLU A 52 12.827 -5.019 5.210 1.00 0.00 C ATOM 820 C GLU A 52 13.979 -4.605 4.288 1.00 0.00 C ATOM 821 O GLU A 52 14.230 -3.434 4.085 1.00 0.00 O ATOM 822 CB GLU A 52 12.342 -6.422 4.832 1.00 0.00 C ATOM 823 CG GLU A 52 12.999 -7.455 5.750 1.00 0.00 C ATOM 824 CD GLU A 52 12.773 -8.858 5.183 1.00 0.00 C ATOM 825 OE1 GLU A 52 12.137 -8.961 4.147 1.00 0.00 O ATOM 826 OE2 GLU A 52 13.241 -9.805 5.794 1.00 0.00 O ATOM 0 H GLU A 52 11.348 -3.654 5.926 1.00 0.00 H new ATOM 0 HA GLU A 52 13.172 -5.025 6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.257 -6.479 4.921 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.589 -6.635 3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.067 -7.254 5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.579 -7.385 6.753 1.00 0.00 H new ATOM 833 N GLY A 53 14.684 -5.552 3.729 1.00 0.00 N ATOM 834 CA GLY A 53 15.816 -5.200 2.825 1.00 0.00 C ATOM 835 C GLY A 53 15.385 -5.382 1.368 1.00 0.00 C ATOM 836 O GLY A 53 16.131 -5.877 0.547 1.00 0.00 O ATOM 0 H GLY A 53 14.525 -6.551 3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 53 16.125 -4.169 2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 53 16.678 -5.832 3.042 1.00 0.00 H new ATOM 840 N LYS A 54 14.185 -4.984 1.038 1.00 0.00 N ATOM 841 CA LYS A 54 13.709 -5.133 -0.366 1.00 0.00 C ATOM 842 C LYS A 54 12.454 -4.282 -0.576 1.00 0.00 C ATOM 843 O LYS A 54 11.724 -4.001 0.353 1.00 0.00 O ATOM 844 CB LYS A 54 13.381 -6.603 -0.638 1.00 0.00 C ATOM 845 CG LYS A 54 14.339 -7.152 -1.697 1.00 0.00 C ATOM 846 CD LYS A 54 15.154 -8.302 -1.102 1.00 0.00 C ATOM 847 CE LYS A 54 14.206 -9.332 -0.485 1.00 0.00 C ATOM 848 NZ LYS A 54 14.607 -10.699 -0.923 1.00 0.00 N ATOM 0 H LYS A 54 13.515 -4.562 1.681 1.00 0.00 H new ATOM 0 HA LYS A 54 14.489 -4.801 -1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.468 -7.182 0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.350 -6.700 -0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.778 -7.501 -2.564 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.005 -6.362 -2.045 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.762 -8.770 -1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.839 -7.922 -0.344 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.235 -9.264 0.602 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.180 -9.127 -0.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.963 -11.400 -0.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.558 -10.760 -1.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.580 -10.892 -0.611 1.00 0.00 H new ATOM 862 N ILE A 55 12.198 -3.869 -1.788 1.00 0.00 N ATOM 863 CA ILE A 55 10.989 -3.036 -2.052 1.00 0.00 C ATOM 864 C ILE A 55 9.741 -3.921 -2.000 1.00 0.00 C ATOM 865 O ILE A 55 9.829 -5.133 -1.984 1.00 0.00 O ATOM 866 CB ILE A 55 11.105 -2.394 -3.435 1.00 0.00 C ATOM 867 CG1 ILE A 55 12.376 -1.542 -3.492 1.00 0.00 C ATOM 868 CG2 ILE A 55 9.885 -1.506 -3.690 1.00 0.00 C ATOM 869 CD1 ILE A 55 12.696 -1.197 -4.947 1.00 0.00 C ATOM 0 H ILE A 55 12.773 -4.072 -2.606 1.00 0.00 H new ATOM 0 HA ILE A 55 10.912 -2.255 -1.296 1.00 0.00 H new ATOM 0 HB ILE A 55 11.152 -3.173 -4.196 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.240 -0.629 -2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 55 13.209 -2.083 -3.044 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.968 -1.048 -4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.979 -2.111 -3.645 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.838 -0.726 -2.931 1.00 0.00 H new ATOM 0 HD11 ILE A 55 13.601 -0.591 -4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.850 -2.116 -5.513 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.866 -0.639 -5.380 1.00 0.00 H new ATOM 881 N LYS A 56 8.578 -3.328 -1.970 1.00 0.00 N ATOM 882 CA LYS A 56 7.331 -4.143 -1.915 1.00 0.00 C ATOM 883 C LYS A 56 6.211 -3.434 -2.679 1.00 0.00 C ATOM 884 O LYS A 56 6.324 -2.279 -3.039 1.00 0.00 O ATOM 885 CB LYS A 56 6.913 -4.332 -0.456 1.00 0.00 C ATOM 886 CG LYS A 56 6.722 -5.823 -0.169 1.00 0.00 C ATOM 887 CD LYS A 56 7.703 -6.263 0.920 1.00 0.00 C ATOM 888 CE LYS A 56 7.864 -7.783 0.877 1.00 0.00 C ATOM 889 NZ LYS A 56 8.538 -8.175 -0.393 1.00 0.00 N ATOM 0 H LYS A 56 8.438 -2.318 -1.981 1.00 0.00 H new ATOM 0 HA LYS A 56 7.516 -5.115 -2.373 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.672 -3.917 0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.987 -3.791 -0.259 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.698 -6.014 0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.886 -6.403 -1.077 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.669 -5.780 0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.339 -5.953 1.899 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.450 -8.122 1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.889 -8.265 0.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.402 -8.712 -0.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.896 -8.765 -0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.788 -7.321 -0.931 1.00 0.00 H new ATOM 903 N HIS A 57 5.128 -4.120 -2.930 1.00 0.00 N ATOM 904 CA HIS A 57 3.998 -3.493 -3.672 1.00 0.00 C ATOM 905 C HIS A 57 2.690 -4.191 -3.290 1.00 0.00 C ATOM 906 O HIS A 57 2.693 -5.266 -2.730 1.00 0.00 O ATOM 907 CB HIS A 57 4.236 -3.645 -5.175 1.00 0.00 C ATOM 908 CG HIS A 57 4.269 -2.290 -5.828 1.00 0.00 C ATOM 909 ND1 HIS A 57 3.210 -1.806 -6.580 1.00 0.00 N ATOM 910 CD2 HIS A 57 5.229 -1.310 -5.857 1.00 0.00 C ATOM 911 CE1 HIS A 57 3.556 -0.585 -7.028 1.00 0.00 C ATOM 912 NE2 HIS A 57 4.777 -0.235 -6.615 1.00 0.00 N ATOM 0 H HIS A 57 4.978 -5.090 -2.652 1.00 0.00 H new ATOM 0 HA HIS A 57 3.933 -2.435 -3.417 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.177 -4.167 -5.352 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.446 -4.252 -5.617 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.329 -2.287 -6.761 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.189 -1.365 -5.366 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.924 0.036 -7.646 1.00 0.00 H new ATOM 920 N CYS A 58 1.571 -3.592 -3.589 1.00 0.00 N ATOM 921 CA CYS A 58 0.269 -4.234 -3.241 1.00 0.00 C ATOM 922 C CYS A 58 -0.848 -3.611 -4.084 1.00 0.00 C ATOM 923 O CYS A 58 -0.998 -2.408 -4.139 1.00 0.00 O ATOM 924 CB CYS A 58 -0.025 -4.020 -1.752 1.00 0.00 C ATOM 925 SG CYS A 58 -1.727 -4.522 -1.392 1.00 0.00 S ATOM 0 H CYS A 58 1.500 -2.689 -4.058 1.00 0.00 H new ATOM 0 HA CYS A 58 0.322 -5.303 -3.447 1.00 0.00 H new ATOM 0 HB2 CYS A 58 0.672 -4.599 -1.146 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.119 -2.972 -1.489 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.975 -4.342 -0.129 1.00 0.00 H new ATOM 931 N ARG A 59 -1.629 -4.423 -4.746 1.00 0.00 N ATOM 932 CA ARG A 59 -2.732 -3.873 -5.587 1.00 0.00 C ATOM 933 C ARG A 59 -4.079 -4.142 -4.914 1.00 0.00 C ATOM 934 O ARG A 59 -4.180 -4.925 -3.991 1.00 0.00 O ATOM 935 CB ARG A 59 -2.711 -4.544 -6.963 1.00 0.00 C ATOM 936 CG ARG A 59 -2.986 -6.040 -6.809 1.00 0.00 C ATOM 937 CD ARG A 59 -4.496 -6.288 -6.844 1.00 0.00 C ATOM 938 NE ARG A 59 -4.767 -7.692 -7.271 1.00 0.00 N ATOM 939 CZ ARG A 59 -4.021 -8.258 -8.181 1.00 0.00 C ATOM 940 NH1 ARG A 59 -3.937 -7.736 -9.375 1.00 0.00 N ATOM 941 NH2 ARG A 59 -3.358 -9.346 -7.898 1.00 0.00 N ATOM 0 H ARG A 59 -1.551 -5.440 -4.741 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.592 -2.798 -5.702 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.461 -4.091 -7.611 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.743 -4.389 -7.439 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.497 -6.595 -7.610 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.569 -6.402 -5.869 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.926 -6.108 -5.859 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.973 -5.590 -7.532 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.538 -8.211 -6.851 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.454 -6.886 -9.597 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.354 -8.179 -10.085 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.422 -9.755 -6.966 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.775 -9.788 -8.609 1.00 0.00 H new ATOM 955 N VAL A 60 -5.116 -3.498 -5.374 1.00 0.00 N ATOM 956 CA VAL A 60 -6.463 -3.712 -4.769 1.00 0.00 C ATOM 957 C VAL A 60 -7.518 -3.692 -5.877 1.00 0.00 C ATOM 958 O VAL A 60 -7.793 -2.666 -6.465 1.00 0.00 O ATOM 959 CB VAL A 60 -6.765 -2.602 -3.756 1.00 0.00 C ATOM 960 CG1 VAL A 60 -6.395 -3.081 -2.351 1.00 0.00 C ATOM 961 CG2 VAL A 60 -5.951 -1.348 -4.096 1.00 0.00 C ATOM 0 H VAL A 60 -5.089 -2.831 -6.145 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.481 -4.674 -4.257 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.827 -2.362 -3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.609 -2.292 -1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.979 -3.968 -2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.333 -3.325 -2.318 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.171 -0.564 -3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.887 -1.584 -4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.215 -1.003 -5.096 1.00 0.00 H new ATOM 971 N GLN A 61 -8.109 -4.819 -6.167 1.00 0.00 N ATOM 972 CA GLN A 61 -9.141 -4.860 -7.243 1.00 0.00 C ATOM 973 C GLN A 61 -10.530 -4.668 -6.630 1.00 0.00 C ATOM 974 O GLN A 61 -10.694 -4.662 -5.426 1.00 0.00 O ATOM 975 CB GLN A 61 -9.078 -6.212 -7.956 1.00 0.00 C ATOM 976 CG GLN A 61 -9.631 -7.302 -7.036 1.00 0.00 C ATOM 977 CD GLN A 61 -8.922 -8.627 -7.329 1.00 0.00 C ATOM 978 OE1 GLN A 61 -7.720 -8.730 -7.185 1.00 0.00 O ATOM 979 NE2 GLN A 61 -9.621 -9.651 -7.738 1.00 0.00 N ATOM 0 H GLN A 61 -7.923 -5.710 -5.707 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.950 -4.061 -7.960 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.655 -6.175 -8.880 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.049 -6.442 -8.232 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.484 -7.022 -5.993 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.705 -7.411 -7.188 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.630 -9.564 -7.859 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.158 -10.538 -7.937 1.00 0.00 H new ATOM 988 N GLN A 62 -11.532 -4.510 -7.451 1.00 0.00 N ATOM 989 CA GLN A 62 -12.910 -4.318 -6.918 1.00 0.00 C ATOM 990 C GLN A 62 -13.872 -5.263 -7.642 1.00 0.00 C ATOM 991 O GLN A 62 -13.753 -5.494 -8.829 1.00 0.00 O ATOM 992 CB GLN A 62 -13.350 -2.871 -7.147 1.00 0.00 C ATOM 993 CG GLN A 62 -13.783 -2.251 -5.817 1.00 0.00 C ATOM 994 CD GLN A 62 -14.086 -0.766 -6.019 1.00 0.00 C ATOM 995 OE1 GLN A 62 -13.694 -0.183 -7.011 1.00 0.00 O ATOM 996 NE2 GLN A 62 -14.774 -0.123 -5.114 1.00 0.00 N ATOM 0 H GLN A 62 -11.456 -4.506 -8.468 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.919 -4.536 -5.850 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -12.532 -2.295 -7.579 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -14.174 -2.839 -7.860 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -14.666 -2.764 -5.435 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.996 -2.374 -5.073 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -15.103 -0.611 -4.281 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -14.982 0.868 -5.240 1.00 0.00 H new ATOM 1005 N GLU A 63 -14.824 -5.815 -6.938 1.00 0.00 N ATOM 1006 CA GLU A 63 -15.788 -6.744 -7.590 1.00 0.00 C ATOM 1007 C GLU A 63 -17.127 -6.033 -7.797 1.00 0.00 C ATOM 1008 O GLU A 63 -18.180 -6.629 -7.688 1.00 0.00 O ATOM 1009 CB GLU A 63 -15.995 -7.973 -6.702 1.00 0.00 C ATOM 1010 CG GLU A 63 -15.683 -9.239 -7.502 1.00 0.00 C ATOM 1011 CD GLU A 63 -16.614 -9.322 -8.712 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -17.733 -9.777 -8.543 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -16.192 -8.930 -9.787 1.00 0.00 O ATOM 0 H GLU A 63 -14.975 -5.662 -5.941 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.391 -7.056 -8.556 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.349 -7.915 -5.826 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -17.022 -8.004 -6.339 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.644 -9.227 -7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.809 -10.120 -6.872 1.00 0.00 H new ATOM 1020 N GLY A 64 -17.095 -4.764 -8.097 1.00 0.00 N ATOM 1021 CA GLY A 64 -18.367 -4.019 -8.314 1.00 0.00 C ATOM 1022 C GLY A 64 -18.790 -3.329 -7.016 1.00 0.00 C ATOM 1023 O GLY A 64 -19.013 -2.135 -6.980 1.00 0.00 O ATOM 0 H GLY A 64 -16.244 -4.211 -8.201 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -18.236 -3.279 -9.104 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -19.148 -4.703 -8.644 1.00 0.00 H new ATOM 1027 N GLN A 65 -18.908 -4.072 -5.948 1.00 0.00 N ATOM 1028 CA GLN A 65 -19.322 -3.455 -4.656 1.00 0.00 C ATOM 1029 C GLN A 65 -18.196 -3.605 -3.630 1.00 0.00 C ATOM 1030 O GLN A 65 -17.681 -2.633 -3.112 1.00 0.00 O ATOM 1031 CB GLN A 65 -20.580 -4.153 -4.137 1.00 0.00 C ATOM 1032 CG GLN A 65 -21.446 -3.146 -3.378 1.00 0.00 C ATOM 1033 CD GLN A 65 -22.517 -2.584 -4.315 1.00 0.00 C ATOM 1034 OE1 GLN A 65 -23.434 -3.283 -4.697 1.00 0.00 O ATOM 1035 NE2 GLN A 65 -22.437 -1.340 -4.704 1.00 0.00 N ATOM 0 H GLN A 65 -18.736 -5.077 -5.915 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.531 -2.397 -4.812 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -21.142 -4.578 -4.968 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -20.306 -4.980 -3.482 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -21.915 -3.628 -2.520 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.827 -2.337 -2.990 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -21.667 -0.754 -4.383 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -23.145 -0.955 -5.329 1.00 0.00 H new ATOM 1044 N THR A 66 -17.809 -4.815 -3.330 1.00 0.00 N ATOM 1045 CA THR A 66 -16.718 -5.024 -2.336 1.00 0.00 C ATOM 1046 C THR A 66 -15.363 -4.800 -3.009 1.00 0.00 C ATOM 1047 O THR A 66 -15.287 -4.434 -4.165 1.00 0.00 O ATOM 1048 CB THR A 66 -16.789 -6.453 -1.796 1.00 0.00 C ATOM 1049 OG1 THR A 66 -18.038 -7.030 -2.150 1.00 0.00 O ATOM 1050 CG2 THR A 66 -16.647 -6.433 -0.273 1.00 0.00 C ATOM 0 H THR A 66 -18.201 -5.667 -3.730 1.00 0.00 H new ATOM 0 HA THR A 66 -16.835 -4.318 -1.514 1.00 0.00 H new ATOM 0 HB THR A 66 -15.981 -7.044 -2.226 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.001 -8.000 -2.014 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.698 -7.452 0.111 1.00 0.00 H new ATOM 0 HG22 THR A 66 -15.688 -5.991 -0.003 1.00 0.00 H new ATOM 0 HG23 THR A 66 -17.454 -5.842 0.160 1.00 0.00 H new ATOM 1058 N VAL A 67 -14.292 -5.014 -2.294 1.00 0.00 N ATOM 1059 CA VAL A 67 -12.942 -4.813 -2.894 1.00 0.00 C ATOM 1060 C VAL A 67 -12.000 -5.914 -2.412 1.00 0.00 C ATOM 1061 O VAL A 67 -11.867 -6.154 -1.231 1.00 0.00 O ATOM 1062 CB VAL A 67 -12.385 -3.458 -2.462 1.00 0.00 C ATOM 1063 CG1 VAL A 67 -12.038 -3.502 -0.972 1.00 0.00 C ATOM 1064 CG2 VAL A 67 -11.122 -3.147 -3.267 1.00 0.00 C ATOM 0 H VAL A 67 -14.293 -5.319 -1.321 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.025 -4.847 -3.980 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.132 -2.684 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.640 -2.536 -0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.936 -3.727 -0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.291 -4.275 -0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.723 -2.180 -2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.376 -3.921 -3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.365 -3.118 -4.329 1.00 0.00 H new ATOM 1074 N MET A 68 -11.338 -6.576 -3.318 1.00 0.00 N ATOM 1075 CA MET A 68 -10.395 -7.654 -2.912 1.00 0.00 C ATOM 1076 C MET A 68 -9.004 -7.051 -2.701 1.00 0.00 C ATOM 1077 O MET A 68 -8.375 -6.584 -3.630 1.00 0.00 O ATOM 1078 CB MET A 68 -10.331 -8.718 -4.011 1.00 0.00 C ATOM 1079 CG MET A 68 -10.645 -10.091 -3.415 1.00 0.00 C ATOM 1080 SD MET A 68 -12.225 -10.683 -4.069 1.00 0.00 S ATOM 1081 CE MET A 68 -12.423 -12.091 -2.949 1.00 0.00 C ATOM 0 H MET A 68 -11.409 -6.417 -4.323 1.00 0.00 H new ATOM 0 HA MET A 68 -10.739 -8.114 -1.986 1.00 0.00 H new ATOM 0 HB2 MET A 68 -11.043 -8.482 -4.802 1.00 0.00 H new ATOM 0 HB3 MET A 68 -9.341 -8.726 -4.466 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.851 -10.796 -3.659 1.00 0.00 H new ATOM 0 HG3 MET A 68 -10.690 -10.026 -2.328 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.353 -12.611 -3.179 1.00 0.00 H new ATOM 0 HE2 MET A 68 -11.584 -12.776 -3.073 1.00 0.00 H new ATOM 0 HE3 MET A 68 -12.452 -11.735 -1.919 1.00 0.00 H new ATOM 1091 N LEU A 69 -8.519 -7.053 -1.488 1.00 0.00 N ATOM 1092 CA LEU A 69 -7.170 -6.473 -1.229 1.00 0.00 C ATOM 1093 C LEU A 69 -6.093 -7.526 -1.508 1.00 0.00 C ATOM 1094 O LEU A 69 -4.911 -7.260 -1.415 1.00 0.00 O ATOM 1095 CB LEU A 69 -7.073 -6.005 0.229 1.00 0.00 C ATOM 1096 CG LEU A 69 -7.742 -7.021 1.164 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -7.252 -8.434 0.842 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -7.381 -6.684 2.613 1.00 0.00 C ATOM 0 H LEU A 69 -8.996 -7.429 -0.669 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.017 -5.618 -1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.027 -5.879 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.552 -5.032 0.338 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.822 -6.976 1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.733 -9.147 1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.502 -8.679 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.171 -8.483 0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.854 -7.403 3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.299 -6.729 2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.733 -5.680 2.852 1.00 0.00 H new ATOM 1110 N GLY A 70 -6.494 -8.721 -1.848 1.00 0.00 N ATOM 1111 CA GLY A 70 -5.499 -9.793 -2.130 1.00 0.00 C ATOM 1112 C GLY A 70 -6.200 -11.152 -2.103 1.00 0.00 C ATOM 1113 O GLY A 70 -6.603 -11.674 -3.124 1.00 0.00 O ATOM 0 H GLY A 70 -7.470 -9.001 -1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.036 -9.629 -3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.700 -9.768 -1.389 1.00 0.00 H new ATOM 1117 N ASN A 71 -6.359 -11.726 -0.943 1.00 0.00 N ATOM 1118 CA ASN A 71 -7.043 -13.047 -0.851 1.00 0.00 C ATOM 1119 C ASN A 71 -8.477 -12.836 -0.368 1.00 0.00 C ATOM 1120 O ASN A 71 -9.386 -13.543 -0.757 1.00 0.00 O ATOM 1121 CB ASN A 71 -6.299 -13.944 0.140 1.00 0.00 C ATOM 1122 CG ASN A 71 -6.482 -15.408 -0.263 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -6.278 -15.766 -1.406 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -6.862 -16.276 0.635 1.00 0.00 N ATOM 0 H ASN A 71 -6.045 -11.337 -0.054 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.050 -13.523 -1.832 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.239 -13.689 0.154 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.679 -13.783 1.149 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.988 -17.255 0.377 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.033 -15.975 1.595 1.00 0.00 H new ATOM 1131 N SER A 72 -8.687 -11.863 0.476 1.00 0.00 N ATOM 1132 CA SER A 72 -10.061 -11.599 0.985 1.00 0.00 C ATOM 1133 C SER A 72 -10.533 -10.240 0.465 1.00 0.00 C ATOM 1134 O SER A 72 -9.819 -9.554 -0.239 1.00 0.00 O ATOM 1135 CB SER A 72 -10.044 -11.587 2.513 1.00 0.00 C ATOM 1136 OG SER A 72 -11.330 -11.947 2.999 1.00 0.00 O ATOM 0 H SER A 72 -7.965 -11.239 0.835 1.00 0.00 H new ATOM 0 HA SER A 72 -10.740 -12.379 0.640 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.293 -12.284 2.885 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.769 -10.597 2.877 1.00 0.00 H new ATOM 0 HG SER A 72 -11.323 -11.942 3.979 1.00 0.00 H new ATOM 1142 N GLU A 73 -11.728 -9.844 0.802 1.00 0.00 N ATOM 1143 CA GLU A 73 -12.231 -8.529 0.316 1.00 0.00 C ATOM 1144 C GLU A 73 -12.585 -7.640 1.510 1.00 0.00 C ATOM 1145 O GLU A 73 -13.386 -8.001 2.349 1.00 0.00 O ATOM 1146 CB GLU A 73 -13.474 -8.742 -0.549 1.00 0.00 C ATOM 1147 CG GLU A 73 -14.631 -9.228 0.326 1.00 0.00 C ATOM 1148 CD GLU A 73 -15.704 -9.869 -0.557 1.00 0.00 C ATOM 1149 OE1 GLU A 73 -16.347 -9.141 -1.297 1.00 0.00 O ATOM 1150 OE2 GLU A 73 -15.864 -11.076 -0.479 1.00 0.00 O ATOM 0 H GLU A 73 -12.375 -10.370 1.389 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.456 -8.045 -0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.747 -7.811 -1.047 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.265 -9.472 -1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.269 -9.949 1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.055 -8.393 0.884 1.00 0.00 H new ATOM 1157 N PHE A 74 -11.994 -6.479 1.593 1.00 0.00 N ATOM 1158 CA PHE A 74 -12.298 -5.571 2.733 1.00 0.00 C ATOM 1159 C PHE A 74 -13.420 -4.607 2.344 1.00 0.00 C ATOM 1160 O PHE A 74 -14.178 -4.858 1.427 1.00 0.00 O ATOM 1161 CB PHE A 74 -11.045 -4.777 3.105 1.00 0.00 C ATOM 1162 CG PHE A 74 -10.736 -4.996 4.567 1.00 0.00 C ATOM 1163 CD1 PHE A 74 -10.020 -6.130 4.969 1.00 0.00 C ATOM 1164 CD2 PHE A 74 -11.170 -4.068 5.520 1.00 0.00 C ATOM 1165 CE1 PHE A 74 -9.739 -6.335 6.324 1.00 0.00 C ATOM 1166 CE2 PHE A 74 -10.890 -4.273 6.876 1.00 0.00 C ATOM 1167 CZ PHE A 74 -10.174 -5.408 7.277 1.00 0.00 C ATOM 0 H PHE A 74 -11.315 -6.121 0.921 1.00 0.00 H new ATOM 0 HA PHE A 74 -12.617 -6.165 3.589 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.202 -5.095 2.491 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.200 -3.716 2.908 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -9.685 -6.846 4.233 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -11.721 -3.193 5.209 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.186 -7.209 6.634 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.225 -3.557 7.612 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.958 -5.568 8.323 1.00 0.00 H new ATOM 1177 N ASP A 75 -13.535 -3.508 3.038 1.00 0.00 N ATOM 1178 CA ASP A 75 -14.611 -2.528 2.719 1.00 0.00 C ATOM 1179 C ASP A 75 -14.143 -1.586 1.606 1.00 0.00 C ATOM 1180 O ASP A 75 -14.914 -1.185 0.757 1.00 0.00 O ATOM 1181 CB ASP A 75 -14.944 -1.712 3.969 1.00 0.00 C ATOM 1182 CG ASP A 75 -16.463 -1.646 4.147 1.00 0.00 C ATOM 1183 OD1 ASP A 75 -17.143 -2.488 3.582 1.00 0.00 O ATOM 1184 OD2 ASP A 75 -16.920 -0.756 4.844 1.00 0.00 O ATOM 0 H ASP A 75 -12.928 -3.246 3.815 1.00 0.00 H new ATOM 0 HA ASP A 75 -15.498 -3.066 2.385 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -14.484 -2.167 4.846 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -14.534 -0.706 3.879 1.00 0.00 H new ATOM 1189 N SER A 76 -12.889 -1.225 1.603 1.00 0.00 N ATOM 1190 CA SER A 76 -12.386 -0.305 0.544 1.00 0.00 C ATOM 1191 C SER A 76 -10.913 0.015 0.801 1.00 0.00 C ATOM 1192 O SER A 76 -10.280 -0.571 1.655 1.00 0.00 O ATOM 1193 CB SER A 76 -13.198 0.990 0.569 1.00 0.00 C ATOM 1194 OG SER A 76 -13.654 1.233 1.894 1.00 0.00 O ATOM 0 H SER A 76 -12.193 -1.526 2.285 1.00 0.00 H new ATOM 0 HA SER A 76 -12.489 -0.783 -0.430 1.00 0.00 H new ATOM 0 HB2 SER A 76 -12.586 1.823 0.224 1.00 0.00 H new ATOM 0 HB3 SER A 76 -14.046 0.914 -0.112 1.00 0.00 H new ATOM 0 HG SER A 76 -14.174 2.064 1.914 1.00 0.00 H new ATOM 1200 N LEU A 77 -10.364 0.943 0.066 1.00 0.00 N ATOM 1201 CA LEU A 77 -8.934 1.303 0.268 1.00 0.00 C ATOM 1202 C LEU A 77 -8.766 1.954 1.643 1.00 0.00 C ATOM 1203 O LEU A 77 -7.906 1.583 2.415 1.00 0.00 O ATOM 1204 CB LEU A 77 -8.498 2.287 -0.819 1.00 0.00 C ATOM 1205 CG LEU A 77 -7.334 1.688 -1.611 1.00 0.00 C ATOM 1206 CD1 LEU A 77 -6.959 2.630 -2.757 1.00 0.00 C ATOM 1207 CD2 LEU A 77 -6.130 1.507 -0.686 1.00 0.00 C ATOM 0 H LEU A 77 -10.845 1.467 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.319 0.405 0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.333 2.503 -1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.197 3.233 -0.369 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.630 0.721 -2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.130 2.204 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.817 2.761 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.662 3.597 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.300 1.080 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.834 2.474 -0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.397 0.837 0.131 1.00 0.00 H new ATOM 1219 N VAL A 78 -9.585 2.922 1.953 1.00 0.00 N ATOM 1220 CA VAL A 78 -9.473 3.593 3.278 1.00 0.00 C ATOM 1221 C VAL A 78 -9.751 2.574 4.386 1.00 0.00 C ATOM 1222 O VAL A 78 -9.052 2.516 5.378 1.00 0.00 O ATOM 1223 CB VAL A 78 -10.495 4.729 3.361 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -10.202 5.589 4.591 1.00 0.00 C ATOM 1225 CG2 VAL A 78 -10.399 5.593 2.102 1.00 0.00 C ATOM 0 H VAL A 78 -10.325 3.276 1.347 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.469 3.999 3.399 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.498 4.310 3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.930 6.398 4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.268 4.974 5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.199 6.008 4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.127 6.403 2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.396 6.012 2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.606 4.981 1.224 1.00 0.00 H new ATOM 1235 N ASP A 79 -10.765 1.767 4.222 1.00 0.00 N ATOM 1236 CA ASP A 79 -11.086 0.751 5.263 1.00 0.00 C ATOM 1237 C ASP A 79 -9.945 -0.265 5.347 1.00 0.00 C ATOM 1238 O ASP A 79 -9.758 -0.925 6.352 1.00 0.00 O ATOM 1239 CB ASP A 79 -12.385 0.032 4.891 1.00 0.00 C ATOM 1240 CG ASP A 79 -13.051 -0.510 6.156 1.00 0.00 C ATOM 1241 OD1 ASP A 79 -13.634 0.280 6.881 1.00 0.00 O ATOM 1242 OD2 ASP A 79 -12.966 -1.706 6.381 1.00 0.00 O ATOM 0 H ASP A 79 -11.384 1.768 3.412 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.208 1.243 6.228 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.059 0.719 4.379 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.176 -0.784 4.200 1.00 0.00 H new ATOM 1247 N LEU A 80 -9.172 -0.386 4.303 1.00 0.00 N ATOM 1248 CA LEU A 80 -8.036 -1.349 4.324 1.00 0.00 C ATOM 1249 C LEU A 80 -7.059 -0.913 5.410 1.00 0.00 C ATOM 1250 O LEU A 80 -6.445 -1.721 6.077 1.00 0.00 O ATOM 1251 CB LEU A 80 -7.331 -1.340 2.965 1.00 0.00 C ATOM 1252 CG LEU A 80 -7.409 -2.734 2.338 1.00 0.00 C ATOM 1253 CD1 LEU A 80 -6.876 -2.676 0.905 1.00 0.00 C ATOM 1254 CD2 LEU A 80 -6.559 -3.708 3.156 1.00 0.00 C ATOM 0 H LEU A 80 -9.278 0.141 3.436 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.399 -2.356 4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.798 -0.607 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.289 -1.042 3.086 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.445 -3.073 2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.930 -3.668 0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.478 -1.980 0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.839 -2.339 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.614 -4.701 2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.523 -3.370 3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.934 -3.748 4.179 1.00 0.00 H new ATOM 1266 N ILE A 81 -6.924 0.369 5.595 1.00 0.00 N ATOM 1267 CA ILE A 81 -6.005 0.882 6.640 1.00 0.00 C ATOM 1268 C ILE A 81 -6.757 0.915 7.978 1.00 0.00 C ATOM 1269 O ILE A 81 -6.174 0.797 9.038 1.00 0.00 O ATOM 1270 CB ILE A 81 -5.524 2.289 6.226 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -4.064 2.206 5.776 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -5.636 3.282 7.389 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -4.009 1.844 4.290 1.00 0.00 C ATOM 0 H ILE A 81 -7.415 1.087 5.062 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.132 0.239 6.751 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.157 2.643 5.412 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.564 3.159 5.948 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.533 1.457 6.364 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.289 4.263 7.064 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.676 3.352 7.709 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.023 2.938 8.222 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.969 1.785 3.968 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.493 0.880 4.132 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.525 2.609 3.710 1.00 0.00 H new ATOM 1285 N SER A 82 -8.051 1.076 7.929 1.00 0.00 N ATOM 1286 CA SER A 82 -8.851 1.119 9.184 1.00 0.00 C ATOM 1287 C SER A 82 -8.571 -0.136 10.016 1.00 0.00 C ATOM 1288 O SER A 82 -8.332 -0.060 11.205 1.00 0.00 O ATOM 1289 CB SER A 82 -10.338 1.178 8.836 1.00 0.00 C ATOM 1290 OG SER A 82 -11.097 1.266 10.035 1.00 0.00 O ATOM 0 H SER A 82 -8.590 1.180 7.069 1.00 0.00 H new ATOM 0 HA SER A 82 -8.575 2.003 9.759 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.541 2.039 8.200 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.627 0.291 8.273 1.00 0.00 H new ATOM 0 HG SER A 82 -12.051 1.306 9.816 1.00 0.00 H new ATOM 1296 N TYR A 83 -8.603 -1.290 9.406 1.00 0.00 N ATOM 1297 CA TYR A 83 -8.342 -2.539 10.179 1.00 0.00 C ATOM 1298 C TYR A 83 -6.831 -2.707 10.392 1.00 0.00 C ATOM 1299 O TYR A 83 -6.396 -3.473 11.229 1.00 0.00 O ATOM 1300 CB TYR A 83 -8.926 -3.746 9.420 1.00 0.00 C ATOM 1301 CG TYR A 83 -7.884 -4.373 8.519 1.00 0.00 C ATOM 1302 CD1 TYR A 83 -7.607 -3.807 7.269 1.00 0.00 C ATOM 1303 CD2 TYR A 83 -7.200 -5.522 8.935 1.00 0.00 C ATOM 1304 CE1 TYR A 83 -6.644 -4.391 6.435 1.00 0.00 C ATOM 1305 CE2 TYR A 83 -6.240 -6.105 8.101 1.00 0.00 C ATOM 1306 CZ TYR A 83 -5.962 -5.539 6.851 1.00 0.00 C ATOM 1307 OH TYR A 83 -5.015 -6.116 6.028 1.00 0.00 O ATOM 0 H TYR A 83 -8.797 -1.422 8.413 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.824 -2.477 11.155 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -9.290 -4.487 10.132 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -9.782 -3.427 8.826 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.135 -2.921 6.948 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.414 -5.958 9.900 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.428 -3.955 5.471 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -5.713 -6.992 8.421 1.00 0.00 H new ATOM 0 HH TYR A 83 -4.636 -6.905 6.469 1.00 0.00 H new ATOM 1317 N TYR A 84 -6.032 -1.999 9.643 1.00 0.00 N ATOM 1318 CA TYR A 84 -4.556 -2.122 9.811 1.00 0.00 C ATOM 1319 C TYR A 84 -4.160 -1.520 11.166 1.00 0.00 C ATOM 1320 O TYR A 84 -3.234 -1.971 11.809 1.00 0.00 O ATOM 1321 CB TYR A 84 -3.848 -1.401 8.638 1.00 0.00 C ATOM 1322 CG TYR A 84 -3.023 -0.221 9.122 1.00 0.00 C ATOM 1323 CD1 TYR A 84 -1.908 -0.436 9.941 1.00 0.00 C ATOM 1324 CD2 TYR A 84 -3.377 1.081 8.749 1.00 0.00 C ATOM 1325 CE1 TYR A 84 -1.148 0.651 10.387 1.00 0.00 C ATOM 1326 CE2 TYR A 84 -2.617 2.167 9.197 1.00 0.00 C ATOM 1327 CZ TYR A 84 -1.502 1.953 10.016 1.00 0.00 C ATOM 1328 OH TYR A 84 -0.752 3.025 10.457 1.00 0.00 O ATOM 0 H TYR A 84 -6.335 -1.342 8.924 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.250 -3.168 9.797 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -3.203 -2.106 8.113 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -4.592 -1.055 7.921 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.635 -1.440 10.228 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.236 1.247 8.116 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.287 0.485 11.018 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -2.891 3.172 8.911 1.00 0.00 H new ATOM 0 HH TYR A 84 -1.133 3.857 10.107 1.00 0.00 H new ATOM 1338 N GLU A 85 -4.856 -0.505 11.600 1.00 0.00 N ATOM 1339 CA GLU A 85 -4.518 0.123 12.909 1.00 0.00 C ATOM 1340 C GLU A 85 -4.754 -0.892 14.029 1.00 0.00 C ATOM 1341 O GLU A 85 -4.355 -0.689 15.158 1.00 0.00 O ATOM 1342 CB GLU A 85 -5.408 1.347 13.132 1.00 0.00 C ATOM 1343 CG GLU A 85 -6.870 0.906 13.228 1.00 0.00 C ATOM 1344 CD GLU A 85 -7.377 1.128 14.654 1.00 0.00 C ATOM 1345 OE1 GLU A 85 -6.592 0.964 15.573 1.00 0.00 O ATOM 1346 OE2 GLU A 85 -8.543 1.457 14.803 1.00 0.00 O ATOM 0 H GLU A 85 -5.643 -0.084 11.106 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.473 0.432 12.909 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.112 1.863 14.045 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.284 2.054 12.312 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.479 1.471 12.522 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.962 -0.146 12.957 1.00 0.00 H new ATOM 1353 N LYS A 86 -5.397 -1.984 13.722 1.00 0.00 N ATOM 1354 CA LYS A 86 -5.658 -3.016 14.762 1.00 0.00 C ATOM 1355 C LYS A 86 -5.196 -4.384 14.252 1.00 0.00 C ATOM 1356 O LYS A 86 -5.356 -5.390 14.914 1.00 0.00 O ATOM 1357 CB LYS A 86 -7.157 -3.065 15.064 1.00 0.00 C ATOM 1358 CG LYS A 86 -7.516 -1.953 16.053 1.00 0.00 C ATOM 1359 CD LYS A 86 -8.782 -2.341 16.819 1.00 0.00 C ATOM 1360 CE LYS A 86 -9.810 -1.211 16.714 1.00 0.00 C ATOM 1361 NZ LYS A 86 -9.376 -0.063 17.558 1.00 0.00 N ATOM 0 H LYS A 86 -5.754 -2.206 12.793 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.111 -2.764 15.670 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.728 -2.946 14.143 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.423 -4.036 15.481 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.693 -1.791 16.749 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.673 -1.015 15.521 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.197 -3.263 16.413 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.542 -2.533 17.865 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.913 -0.894 15.676 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.789 -1.565 17.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.179 0.271 18.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.606 -0.367 18.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.040 0.709 16.948 1.00 0.00 H new ATOM 1375 N HIS A 87 -4.625 -4.432 13.077 1.00 0.00 N ATOM 1376 CA HIS A 87 -4.156 -5.736 12.528 1.00 0.00 C ATOM 1377 C HIS A 87 -2.965 -5.507 11.593 1.00 0.00 C ATOM 1378 O HIS A 87 -2.712 -4.397 11.168 1.00 0.00 O ATOM 1379 CB HIS A 87 -5.294 -6.395 11.745 1.00 0.00 C ATOM 1380 CG HIS A 87 -5.913 -7.483 12.577 1.00 0.00 C ATOM 1381 ND1 HIS A 87 -5.698 -8.828 12.315 1.00 0.00 N ATOM 1382 CD2 HIS A 87 -6.743 -7.444 13.670 1.00 0.00 C ATOM 1383 CE1 HIS A 87 -6.385 -9.535 13.230 1.00 0.00 C ATOM 1384 NE2 HIS A 87 -7.040 -8.741 14.080 1.00 0.00 N ATOM 0 H HIS A 87 -4.464 -3.625 12.475 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.850 -6.383 13.350 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -6.046 -5.652 11.482 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.914 -6.809 10.811 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -7.110 -6.544 14.140 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.404 -10.614 13.272 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -7.631 -9.024 14.862 1.00 0.00 H new ATOM 1392 N PRO A 88 -2.271 -6.575 11.304 1.00 0.00 N ATOM 1393 CA PRO A 88 -1.076 -6.604 10.420 1.00 0.00 C ATOM 1394 C PRO A 88 -1.500 -6.575 8.948 1.00 0.00 C ATOM 1395 O PRO A 88 -2.567 -7.032 8.589 1.00 0.00 O ATOM 1396 CB PRO A 88 -0.360 -7.914 10.742 1.00 0.00 C ATOM 1397 CG PRO A 88 -1.419 -8.842 11.345 1.00 0.00 C ATOM 1398 CD PRO A 88 -2.568 -7.942 11.819 1.00 0.00 C ATOM 0 HA PRO A 88 -0.431 -5.740 10.584 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.075 -8.351 9.843 1.00 0.00 H new ATOM 0 HB3 PRO A 88 0.458 -7.749 11.443 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.770 -9.562 10.606 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -1.006 -9.414 12.176 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.525 -8.301 11.439 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.637 -7.941 12.907 1.00 0.00 H new ATOM 1406 N LEU A 89 -0.669 -6.038 8.096 1.00 0.00 N ATOM 1407 CA LEU A 89 -1.018 -5.977 6.648 1.00 0.00 C ATOM 1408 C LEU A 89 -0.627 -7.297 5.978 1.00 0.00 C ATOM 1409 O LEU A 89 -1.469 -8.050 5.532 1.00 0.00 O ATOM 1410 CB LEU A 89 -0.255 -4.821 5.991 1.00 0.00 C ATOM 1411 CG LEU A 89 -0.788 -4.589 4.576 1.00 0.00 C ATOM 1412 CD1 LEU A 89 -0.330 -5.728 3.665 1.00 0.00 C ATOM 1413 CD2 LEU A 89 -2.317 -4.544 4.605 1.00 0.00 C ATOM 0 H LEU A 89 0.237 -5.639 8.341 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.090 -5.815 6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.367 -3.914 6.585 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.810 -5.049 5.956 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.404 -3.642 4.196 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.710 -5.563 2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.759 -5.760 3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.712 -6.675 4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.695 -4.379 3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.702 -5.490 4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.645 -3.731 5.253 1.00 0.00 H new ATOM 1425 N TYR A 90 0.645 -7.587 5.915 1.00 0.00 N ATOM 1426 CA TYR A 90 1.088 -8.865 5.287 1.00 0.00 C ATOM 1427 C TYR A 90 1.528 -9.826 6.408 1.00 0.00 C ATOM 1428 O TYR A 90 1.082 -9.706 7.532 1.00 0.00 O ATOM 1429 CB TYR A 90 2.240 -8.572 4.310 1.00 0.00 C ATOM 1430 CG TYR A 90 2.416 -9.709 3.314 1.00 0.00 C ATOM 1431 CD1 TYR A 90 1.509 -10.780 3.276 1.00 0.00 C ATOM 1432 CD2 TYR A 90 3.504 -9.692 2.430 1.00 0.00 C ATOM 1433 CE1 TYR A 90 1.690 -11.821 2.359 1.00 0.00 C ATOM 1434 CE2 TYR A 90 3.682 -10.736 1.514 1.00 0.00 C ATOM 1435 CZ TYR A 90 2.776 -11.799 1.479 1.00 0.00 C ATOM 1436 OH TYR A 90 2.953 -12.828 0.576 1.00 0.00 O ATOM 0 H TYR A 90 1.395 -6.995 6.271 1.00 0.00 H new ATOM 0 HA TYR A 90 0.279 -9.330 4.723 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.040 -7.644 3.775 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.165 -8.426 4.867 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.670 -10.800 3.956 1.00 0.00 H new ATOM 0 HD2 TYR A 90 4.206 -8.872 2.456 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.990 -12.643 2.331 1.00 0.00 H new ATOM 0 HE2 TYR A 90 4.521 -10.720 0.834 1.00 0.00 H new ATOM 0 HH TYR A 90 3.754 -12.657 0.039 1.00 0.00 H new ATOM 1446 N ARG A 91 2.379 -10.778 6.129 1.00 0.00 N ATOM 1447 CA ARG A 91 2.810 -11.732 7.196 1.00 0.00 C ATOM 1448 C ARG A 91 3.738 -11.033 8.192 1.00 0.00 C ATOM 1449 O ARG A 91 3.798 -11.395 9.351 1.00 0.00 O ATOM 1450 CB ARG A 91 3.552 -12.908 6.558 1.00 0.00 C ATOM 1451 CG ARG A 91 4.533 -12.385 5.509 1.00 0.00 C ATOM 1452 CD ARG A 91 3.951 -12.611 4.112 1.00 0.00 C ATOM 1453 NE ARG A 91 4.997 -13.189 3.220 1.00 0.00 N ATOM 1454 CZ ARG A 91 6.240 -12.803 3.332 1.00 0.00 C ATOM 1455 NH1 ARG A 91 6.522 -11.534 3.428 1.00 0.00 N ATOM 1456 NH2 ARG A 91 7.198 -13.689 3.350 1.00 0.00 N ATOM 0 H ARG A 91 2.794 -10.937 5.211 1.00 0.00 H new ATOM 0 HA ARG A 91 1.927 -12.091 7.724 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.087 -13.472 7.322 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.841 -13.593 6.096 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.722 -11.323 5.669 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.491 -12.897 5.603 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.095 -13.284 4.168 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.589 -11.668 3.701 1.00 0.00 H new ATOM 0 HE ARG A 91 4.742 -13.887 2.521 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.772 -10.843 3.416 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.492 -11.232 3.515 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.976 -14.682 3.277 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.169 -13.389 3.437 1.00 0.00 H new ATOM 1470 N LYS A 92 4.469 -10.042 7.759 1.00 0.00 N ATOM 1471 CA LYS A 92 5.391 -9.341 8.693 1.00 0.00 C ATOM 1472 C LYS A 92 5.302 -7.833 8.464 1.00 0.00 C ATOM 1473 O LYS A 92 6.300 -7.160 8.302 1.00 0.00 O ATOM 1474 CB LYS A 92 6.825 -9.811 8.445 1.00 0.00 C ATOM 1475 CG LYS A 92 7.185 -9.597 6.974 1.00 0.00 C ATOM 1476 CD LYS A 92 8.503 -8.826 6.876 1.00 0.00 C ATOM 1477 CE LYS A 92 9.673 -9.792 7.069 1.00 0.00 C ATOM 1478 NZ LYS A 92 10.613 -9.238 8.085 1.00 0.00 N ATOM 0 H LYS A 92 4.467 -9.689 6.802 1.00 0.00 H new ATOM 0 HA LYS A 92 5.107 -9.569 9.720 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.515 -9.259 9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.924 -10.865 8.705 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.275 -10.558 6.468 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.391 -9.045 6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.579 -8.335 5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.536 -8.042 7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.305 -10.766 7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.192 -9.945 6.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.450 -9.852 8.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.908 -8.282 7.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.138 -9.193 9.009 1.00 0.00 H new ATOM 1492 N MET A 93 4.115 -7.297 8.452 1.00 0.00 N ATOM 1493 CA MET A 93 3.963 -5.833 8.235 1.00 0.00 C ATOM 1494 C MET A 93 2.854 -5.298 9.143 1.00 0.00 C ATOM 1495 O MET A 93 2.001 -6.035 9.594 1.00 0.00 O ATOM 1496 CB MET A 93 3.593 -5.571 6.772 1.00 0.00 C ATOM 1497 CG MET A 93 4.743 -4.839 6.078 1.00 0.00 C ATOM 1498 SD MET A 93 5.992 -6.039 5.551 1.00 0.00 S ATOM 1499 CE MET A 93 7.412 -5.253 6.349 1.00 0.00 C ATOM 0 H MET A 93 3.243 -7.810 8.583 1.00 0.00 H new ATOM 0 HA MET A 93 4.901 -5.330 8.469 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.388 -6.513 6.263 1.00 0.00 H new ATOM 0 HB3 MET A 93 2.682 -4.974 6.717 1.00 0.00 H new ATOM 0 HG2 MET A 93 4.369 -4.286 5.217 1.00 0.00 H new ATOM 0 HG3 MET A 93 5.187 -4.111 6.757 1.00 0.00 H new ATOM 0 HE1 MET A 93 8.331 -5.590 5.870 1.00 0.00 H new ATOM 0 HE2 MET A 93 7.330 -4.170 6.254 1.00 0.00 H new ATOM 0 HE3 MET A 93 7.432 -5.524 7.405 1.00 0.00 H new ATOM 1509 N LYS A 94 2.850 -4.020 9.406 1.00 0.00 N ATOM 1510 CA LYS A 94 1.784 -3.443 10.272 1.00 0.00 C ATOM 1511 C LYS A 94 1.193 -2.231 9.557 1.00 0.00 C ATOM 1512 O LYS A 94 0.584 -1.369 10.158 1.00 0.00 O ATOM 1513 CB LYS A 94 2.378 -3.017 11.615 1.00 0.00 C ATOM 1514 CG LYS A 94 2.336 -4.199 12.588 1.00 0.00 C ATOM 1515 CD LYS A 94 2.092 -3.687 14.008 1.00 0.00 C ATOM 1516 CE LYS A 94 1.364 -4.760 14.821 1.00 0.00 C ATOM 1517 NZ LYS A 94 1.739 -4.633 16.258 1.00 0.00 N ATOM 0 H LYS A 94 3.538 -3.351 9.059 1.00 0.00 H new ATOM 0 HA LYS A 94 1.008 -4.185 10.458 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.406 -2.679 11.480 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.817 -2.176 12.023 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.546 -4.892 12.300 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.275 -4.751 12.546 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.040 -3.437 14.483 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.499 -2.773 13.979 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.286 -4.651 14.704 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.626 -5.752 14.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.245 -5.362 16.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.766 -4.757 16.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.468 -3.691 16.606 1.00 0.00 H new ATOM 1531 N LEU A 95 1.383 -2.171 8.269 1.00 0.00 N ATOM 1532 CA LEU A 95 0.858 -1.034 7.472 1.00 0.00 C ATOM 1533 C LEU A 95 1.173 0.293 8.166 1.00 0.00 C ATOM 1534 O LEU A 95 0.341 1.170 8.248 1.00 0.00 O ATOM 1535 CB LEU A 95 -0.653 -1.177 7.279 1.00 0.00 C ATOM 1536 CG LEU A 95 -0.970 -1.232 5.779 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -2.471 -1.041 5.565 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -0.215 -0.116 5.047 1.00 0.00 C ATOM 0 H LEU A 95 1.888 -2.874 7.729 1.00 0.00 H new ATOM 0 HA LEU A 95 1.342 -1.043 6.495 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.010 -2.082 7.771 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.171 -0.337 7.741 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.661 -2.201 5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.694 -1.080 4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.016 -1.833 6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.775 -0.073 5.964 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.444 -0.160 3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -0.521 0.852 5.444 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.857 -0.246 5.193 1.00 0.00 H new ATOM 1550 N ARG A 96 2.377 0.462 8.634 1.00 0.00 N ATOM 1551 CA ARG A 96 2.745 1.755 9.275 1.00 0.00 C ATOM 1552 C ARG A 96 3.230 2.674 8.156 1.00 0.00 C ATOM 1553 O ARG A 96 2.961 3.858 8.129 1.00 0.00 O ATOM 1554 CB ARG A 96 3.865 1.532 10.294 1.00 0.00 C ATOM 1555 CG ARG A 96 3.987 2.762 11.197 1.00 0.00 C ATOM 1556 CD ARG A 96 3.153 2.551 12.463 1.00 0.00 C ATOM 1557 NE ARG A 96 4.056 2.223 13.602 1.00 0.00 N ATOM 1558 CZ ARG A 96 3.613 2.290 14.829 1.00 0.00 C ATOM 1559 NH1 ARG A 96 2.393 2.691 15.067 1.00 0.00 N ATOM 1560 NH2 ARG A 96 4.391 1.956 15.823 1.00 0.00 N ATOM 0 H ARG A 96 3.120 -0.236 8.601 1.00 0.00 H new ATOM 0 HA ARG A 96 1.896 2.191 9.801 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.654 0.647 10.894 1.00 0.00 H new ATOM 0 HB3 ARG A 96 4.809 1.351 9.779 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.031 2.931 11.461 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.644 3.651 10.667 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.579 3.450 12.687 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.436 1.745 12.309 1.00 0.00 H new ATOM 0 HE ARG A 96 5.021 1.946 13.423 1.00 0.00 H new ATOM 0 HH11 ARG A 96 1.782 2.953 14.293 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.051 2.742 16.027 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.345 1.643 15.641 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.045 2.008 16.781 1.00 0.00 H new ATOM 1574 N TYR A 97 3.924 2.088 7.212 1.00 0.00 N ATOM 1575 CA TYR A 97 4.433 2.825 6.024 1.00 0.00 C ATOM 1576 C TYR A 97 4.943 4.232 6.344 1.00 0.00 C ATOM 1577 O TYR A 97 4.618 5.157 5.630 1.00 0.00 O ATOM 1578 CB TYR A 97 3.279 2.925 5.027 1.00 0.00 C ATOM 1579 CG TYR A 97 2.082 3.602 5.661 1.00 0.00 C ATOM 1580 CD1 TYR A 97 1.930 4.997 5.599 1.00 0.00 C ATOM 1581 CD2 TYR A 97 1.115 2.830 6.311 1.00 0.00 C ATOM 1582 CE1 TYR A 97 0.818 5.610 6.187 1.00 0.00 C ATOM 1583 CE2 TYR A 97 0.002 3.446 6.902 1.00 0.00 C ATOM 1584 CZ TYR A 97 -0.145 4.834 6.841 1.00 0.00 C ATOM 1585 OH TYR A 97 -1.240 5.440 7.422 1.00 0.00 O ATOM 0 H TYR A 97 4.164 1.097 7.221 1.00 0.00 H new ATOM 0 HA TYR A 97 5.288 2.277 5.627 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.598 3.487 4.149 1.00 0.00 H new ATOM 0 HB3 TYR A 97 3.000 1.929 4.684 1.00 0.00 H new ATOM 0 HD1 TYR A 97 2.673 5.598 5.096 1.00 0.00 H new ATOM 0 HD2 TYR A 97 1.225 1.757 6.358 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.703 6.683 6.136 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -0.742 2.846 7.405 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.812 4.758 7.833 1.00 0.00 H new ATOM 1595 N PRO A 98 5.738 4.371 7.373 1.00 0.00 N ATOM 1596 CA PRO A 98 6.299 5.674 7.800 1.00 0.00 C ATOM 1597 C PRO A 98 7.553 6.017 6.995 1.00 0.00 C ATOM 1598 O PRO A 98 7.963 5.284 6.122 1.00 0.00 O ATOM 1599 CB PRO A 98 6.651 5.500 9.274 1.00 0.00 C ATOM 1600 CG PRO A 98 6.846 3.992 9.491 1.00 0.00 C ATOM 1601 CD PRO A 98 6.227 3.287 8.273 1.00 0.00 C ATOM 0 HA PRO A 98 5.590 6.486 7.640 1.00 0.00 H new ATOM 0 HB2 PRO A 98 7.558 6.050 9.526 1.00 0.00 H new ATOM 0 HB3 PRO A 98 5.856 5.886 9.913 1.00 0.00 H new ATOM 0 HG2 PRO A 98 7.904 3.748 9.583 1.00 0.00 H new ATOM 0 HG3 PRO A 98 6.363 3.668 10.413 1.00 0.00 H new ATOM 0 HD2 PRO A 98 6.964 2.663 7.767 1.00 0.00 H new ATOM 0 HD3 PRO A 98 5.409 2.633 8.575 1.00 0.00 H new ATOM 1774 N ILE B 5 3.101 -7.813 -3.220 1.00 0.00 N ATOM 1775 CA ILE B 5 2.778 -8.832 -2.177 1.00 0.00 C ATOM 1776 C ILE B 5 1.285 -8.772 -1.846 1.00 0.00 C ATOM 1777 O ILE B 5 0.650 -7.744 -1.958 1.00 0.00 O ATOM 1778 CB ILE B 5 3.625 -8.599 -0.897 1.00 0.00 C ATOM 1779 CG1 ILE B 5 2.848 -7.791 0.162 1.00 0.00 C ATOM 1780 CG2 ILE B 5 4.917 -7.858 -1.240 1.00 0.00 C ATOM 1781 CD1 ILE B 5 2.673 -6.341 -0.294 1.00 0.00 C ATOM 0 HA ILE B 5 3.020 -9.821 -2.566 1.00 0.00 H new ATOM 0 HB ILE B 5 3.858 -9.580 -0.483 1.00 0.00 H new ATOM 0 HG12 ILE B 5 1.872 -8.246 0.331 1.00 0.00 H new ATOM 0 HG13 ILE B 5 3.381 -7.818 1.112 1.00 0.00 H new ATOM 0 HG21 ILE B 5 5.499 -7.703 -0.332 1.00 0.00 H new ATOM 0 HG22 ILE B 5 5.499 -8.449 -1.947 1.00 0.00 H new ATOM 0 HG23 ILE B 5 4.676 -6.893 -1.686 1.00 0.00 H new ATOM 0 HD11 ILE B 5 2.123 -5.785 0.465 1.00 0.00 H new ATOM 0 HD12 ILE B 5 3.652 -5.885 -0.440 1.00 0.00 H new ATOM 0 HD13 ILE B 5 2.119 -6.319 -1.233 1.00 0.00 H new ATOM 1793 N ILE B 6 0.725 -9.866 -1.420 1.00 0.00 N ATOM 1794 CA ILE B 6 -0.713 -9.865 -1.050 1.00 0.00 C ATOM 1795 C ILE B 6 -0.796 -9.589 0.448 1.00 0.00 C ATOM 1796 O ILE B 6 -0.034 -10.143 1.209 1.00 0.00 O ATOM 1797 CB ILE B 6 -1.326 -11.232 -1.362 1.00 0.00 C ATOM 1798 CG1 ILE B 6 -1.279 -11.477 -2.872 1.00 0.00 C ATOM 1799 CG2 ILE B 6 -2.779 -11.262 -0.887 1.00 0.00 C ATOM 1800 CD1 ILE B 6 -2.059 -10.378 -3.595 1.00 0.00 C ATOM 0 H ILE B 6 1.202 -10.761 -1.312 1.00 0.00 H new ATOM 0 HA ILE B 6 -1.259 -9.107 -1.612 1.00 0.00 H new ATOM 0 HB ILE B 6 -0.761 -12.009 -0.848 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -0.245 -11.490 -3.216 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -1.705 -12.453 -3.106 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -3.215 -12.236 -1.110 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -2.814 -11.086 0.188 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -3.346 -10.485 -1.400 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -2.024 -10.554 -4.670 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -3.096 -10.387 -3.259 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -1.613 -9.409 -3.372 1.00 0.00 H new ATOM 1812 N PRO B 7 -1.698 -8.728 0.828 1.00 0.00 N ATOM 1813 CA PRO B 7 -1.908 -8.317 2.238 1.00 0.00 C ATOM 1814 C PRO B 7 -2.613 -9.423 3.028 1.00 0.00 C ATOM 1815 O PRO B 7 -3.792 -9.349 3.316 1.00 0.00 O ATOM 1816 CB PRO B 7 -2.756 -7.055 2.181 1.00 0.00 C ATOM 1817 CG PRO B 7 -3.477 -7.090 0.831 1.00 0.00 C ATOM 1818 CD PRO B 7 -2.659 -8.028 -0.069 1.00 0.00 C ATOM 0 HA PRO B 7 -0.962 -8.134 2.747 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -3.470 -7.028 3.004 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -2.135 -6.164 2.268 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -4.498 -7.453 0.945 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -3.540 -6.092 0.398 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -3.306 -8.741 -0.579 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -2.133 -7.466 -0.841 1.00 0.00 H new ATOM 1826 N LEU B 8 -1.884 -10.439 3.389 1.00 0.00 N ATOM 1827 CA LEU B 8 -2.468 -11.559 4.174 1.00 0.00 C ATOM 1828 C LEU B 8 -1.474 -11.936 5.276 1.00 0.00 C ATOM 1829 O LEU B 8 -0.392 -12.410 4.992 1.00 0.00 O ATOM 1830 CB LEU B 8 -2.699 -12.763 3.257 1.00 0.00 C ATOM 1831 CG LEU B 8 -3.886 -13.576 3.773 1.00 0.00 C ATOM 1832 CD1 LEU B 8 -4.892 -13.789 2.640 1.00 0.00 C ATOM 1833 CD2 LEU B 8 -3.392 -14.935 4.276 1.00 0.00 C ATOM 0 H LEU B 8 -0.893 -10.542 3.170 1.00 0.00 H new ATOM 0 HA LEU B 8 -3.421 -11.260 4.610 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -2.891 -12.426 2.238 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.805 -13.386 3.224 1.00 0.00 H new ATOM 0 HG LEU B 8 -4.367 -13.037 4.589 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -5.738 -14.369 3.009 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -5.244 -12.822 2.280 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -4.412 -14.328 1.823 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -4.238 -15.516 4.644 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -2.911 -15.472 3.459 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -2.675 -14.785 5.083 1.00 0.00 H new ATOM 1845 N PRO B 9 -1.859 -11.697 6.500 1.00 0.00 N ATOM 1846 CA PRO B 9 -1.032 -11.967 7.705 1.00 0.00 C ATOM 1847 C PRO B 9 -0.983 -13.465 8.004 1.00 0.00 C ATOM 1848 O PRO B 9 -1.931 -14.049 8.490 1.00 0.00 O ATOM 1849 CB PRO B 9 -1.701 -11.203 8.844 1.00 0.00 C ATOM 1850 CG PRO B 9 -3.157 -10.992 8.418 1.00 0.00 C ATOM 1851 CD PRO B 9 -3.181 -11.129 6.891 1.00 0.00 C ATOM 0 HA PRO B 9 0.001 -11.648 7.564 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -1.645 -11.766 9.776 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -1.204 -10.249 9.018 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -3.810 -11.729 8.885 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -3.514 -10.009 8.726 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -3.994 -11.781 6.572 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -3.344 -10.161 6.416 1.00 0.00 H new ATOM 1859 N ASP B 10 0.129 -14.085 7.716 1.00 0.00 N ATOM 1860 CA ASP B 10 0.269 -15.542 7.980 1.00 0.00 C ATOM 1861 C ASP B 10 -0.589 -16.329 6.985 1.00 0.00 C ATOM 1862 O ASP B 10 -1.705 -15.949 6.694 1.00 0.00 O ATOM 1863 CB ASP B 10 -0.191 -15.849 9.408 1.00 0.00 C ATOM 1864 CG ASP B 10 0.919 -16.591 10.156 1.00 0.00 C ATOM 1865 OD1 ASP B 10 1.865 -17.009 9.511 1.00 0.00 O ATOM 1866 OD2 ASP B 10 0.801 -16.729 11.362 1.00 0.00 O ATOM 0 H ASP B 10 0.951 -13.640 7.307 1.00 0.00 H new ATOM 0 HA ASP B 10 1.313 -15.832 7.865 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.438 -14.924 9.928 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -1.097 -16.455 9.387 1.00 0.00 H new