USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 667 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 46 MET CE :methyl -165:sc= -6.14! (180deg=-6.32!) USER MOD Set 1.2: B 9 ASN : amide:sc= -1.48 K(o=-7.6,f=-13!) USER MOD Set 2.1: A 18 GLN : amide:sc=-0.00531 X(o=-0.0053,f=0.17) USER MOD Set 2.2: B 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -31:sc= 0.0482 USER MOD Single : A 10 SER OG : rot 180:sc= 0.147 USER MOD Single : A 11 MET CE :methyl -121:sc= -0.0341 (180deg=-0.348) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.32) USER MOD Single : A 21 LYS NZ :NH3+ -99:sc=-0.000814 (180deg=-1.33) USER MOD Single : A 22 GLN : amide:sc= 0.444 K(o=0.44,f=-5.3!) USER MOD Single : A 23 MET CE :methyl 152:sc= -0.0933 (180deg=-1.41!) USER MOD Single : A 33 GLN : amide:sc= 0.425 K(o=0.42,f=-2.2!) USER MOD Single : A 35 MET CE :methyl -130:sc= -7.75! (180deg=-9.89!) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -3.9! C(o=-5.8!,f=-3.9!) USER MOD Single : A 38 THR OG1 : rot -160:sc= -1.82! USER MOD Single : A 42 LYS NZ :NH3+ -98:sc= -0.0435 (180deg=-0.777!) USER MOD Single : A 44 THR OG1 : rot 59:sc= -0.78 USER MOD Single : A 52 ASN : amide:sc= -3.55! C(o=-3.6!,f=-4.5!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0084 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 139:sc= -0.195 (180deg=-2.79!) USER MOD Single : A 61 SER OG : rot 180:sc=-0.00944 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 73:sc= 1.22 USER MOD Single : A 68 LYS NZ :NH3+ -146:sc= 0.511 (180deg=0.183) USER MOD Single : A 77 GLN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 SER OG : rot 118:sc= -0.58 USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot 80:sc= -1.21 USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -3.220 -8.086 -12.168 1.00 0.00 N ATOM 95 CA THR A 8 -4.044 -6.912 -11.910 1.00 0.00 C ATOM 96 C THR A 8 -5.088 -6.734 -12.997 1.00 0.00 C ATOM 97 O THR A 8 -6.225 -6.356 -12.715 1.00 0.00 O ATOM 98 CB THR A 8 -3.166 -5.662 -11.842 1.00 0.00 C ATOM 99 OG1 THR A 8 -2.518 -5.442 -13.083 1.00 0.00 O ATOM 100 CG2 THR A 8 -2.094 -5.730 -10.774 1.00 0.00 C ATOM 0 HA THR A 8 -4.552 -7.057 -10.956 1.00 0.00 H new ATOM 0 HB THR A 8 -3.847 -4.847 -11.594 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.353 -6.302 -13.523 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.511 -4.809 -10.785 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.561 -5.852 -9.797 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.438 -6.578 -10.971 1.00 0.00 H new ATOM 108 N ALA A 9 -4.718 -7.031 -14.236 1.00 0.00 N ATOM 109 CA ALA A 9 -5.661 -6.920 -15.334 1.00 0.00 C ATOM 110 C ALA A 9 -6.863 -7.799 -15.042 1.00 0.00 C ATOM 111 O ALA A 9 -7.965 -7.306 -14.803 1.00 0.00 O ATOM 112 CB ALA A 9 -5.005 -7.307 -16.654 1.00 0.00 C ATOM 0 H ALA A 9 -3.785 -7.346 -14.501 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.989 -5.885 -15.428 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.731 -7.216 -17.462 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.161 -6.645 -16.849 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.653 -8.337 -16.597 1.00 0.00 H new ATOM 118 N SER A 10 -6.647 -9.107 -15.077 1.00 0.00 N ATOM 119 CA SER A 10 -7.715 -10.067 -14.832 1.00 0.00 C ATOM 120 C SER A 10 -8.368 -9.870 -13.465 1.00 0.00 C ATOM 121 O SER A 10 -9.533 -10.225 -13.278 1.00 0.00 O ATOM 122 CB SER A 10 -7.171 -11.493 -14.944 1.00 0.00 C ATOM 123 OG SER A 10 -5.763 -11.494 -15.100 1.00 0.00 O ATOM 0 H SER A 10 -5.739 -9.529 -15.273 1.00 0.00 H new ATOM 0 HA SER A 10 -8.481 -9.900 -15.589 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.441 -12.059 -14.052 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.634 -11.996 -15.793 1.00 0.00 H new ATOM 0 HG SER A 10 -5.442 -12.417 -15.167 1.00 0.00 H new ATOM 129 N MET A 11 -7.636 -9.301 -12.507 1.00 0.00 N ATOM 130 CA MET A 11 -8.197 -9.087 -11.184 1.00 0.00 C ATOM 131 C MET A 11 -9.370 -8.117 -11.275 1.00 0.00 C ATOM 132 O MET A 11 -10.424 -8.336 -10.677 1.00 0.00 O ATOM 133 CB MET A 11 -7.101 -8.592 -10.228 1.00 0.00 C ATOM 134 CG MET A 11 -7.367 -7.248 -9.580 1.00 0.00 C ATOM 135 SD MET A 11 -8.578 -7.344 -8.251 1.00 0.00 S ATOM 136 CE MET A 11 -7.608 -8.148 -6.977 1.00 0.00 C ATOM 0 H MET A 11 -6.672 -8.987 -12.623 1.00 0.00 H new ATOM 0 HA MET A 11 -8.579 -10.025 -10.781 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.964 -9.335 -9.442 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.162 -8.533 -10.778 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.433 -6.848 -9.186 1.00 0.00 H new ATOM 0 HG3 MET A 11 -7.720 -6.548 -10.337 1.00 0.00 H new ATOM 0 HE1 MET A 11 -8.090 -9.082 -6.688 1.00 0.00 H new ATOM 0 HE2 MET A 11 -6.609 -8.358 -7.359 1.00 0.00 H new ATOM 0 HE3 MET A 11 -7.535 -7.494 -6.108 1.00 0.00 H new ATOM 146 N LEU A 12 -9.183 -7.062 -12.045 1.00 0.00 N ATOM 147 CA LEU A 12 -10.230 -6.070 -12.239 1.00 0.00 C ATOM 148 C LEU A 12 -11.485 -6.731 -12.797 1.00 0.00 C ATOM 149 O LEU A 12 -12.557 -6.659 -12.198 1.00 0.00 O ATOM 150 CB LEU A 12 -9.752 -4.958 -13.183 1.00 0.00 C ATOM 151 CG LEU A 12 -10.150 -3.535 -12.777 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.498 -3.168 -13.373 1.00 0.00 C ATOM 153 CD2 LEU A 12 -10.182 -3.391 -11.260 1.00 0.00 C ATOM 0 H LEU A 12 -8.317 -6.867 -12.547 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.466 -5.624 -11.273 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.665 -5.007 -13.254 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.146 -5.157 -14.180 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.399 -2.849 -13.168 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.764 -2.154 -13.074 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.442 -3.223 -14.460 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.256 -3.863 -13.013 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.467 -2.372 -10.997 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.907 -4.090 -10.843 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.194 -3.608 -10.853 1.00 0.00 H new ATOM 165 N ALA A 13 -11.333 -7.399 -13.938 1.00 0.00 N ATOM 166 CA ALA A 13 -12.441 -8.104 -14.572 1.00 0.00 C ATOM 167 C ALA A 13 -12.835 -9.356 -13.784 1.00 0.00 C ATOM 168 O ALA A 13 -13.673 -10.142 -14.228 1.00 0.00 O ATOM 169 CB ALA A 13 -12.076 -8.471 -15.998 1.00 0.00 C ATOM 0 H ALA A 13 -10.449 -7.466 -14.443 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.302 -7.436 -14.583 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.910 -8.997 -16.463 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.859 -7.564 -16.563 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.197 -9.116 -15.994 1.00 0.00 H new ATOM 175 N SER A 14 -12.244 -9.520 -12.604 1.00 0.00 N ATOM 176 CA SER A 14 -12.549 -10.656 -11.742 1.00 0.00 C ATOM 177 C SER A 14 -13.568 -10.279 -10.666 1.00 0.00 C ATOM 178 O SER A 14 -13.837 -11.067 -9.759 1.00 0.00 O ATOM 179 CB SER A 14 -11.278 -11.191 -11.077 1.00 0.00 C ATOM 180 OG SER A 14 -11.121 -12.577 -11.328 1.00 0.00 O ATOM 0 H SER A 14 -11.549 -8.878 -12.223 1.00 0.00 H new ATOM 0 HA SER A 14 -12.979 -11.435 -12.372 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.410 -10.649 -11.453 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.323 -11.015 -10.002 1.00 0.00 H new ATOM 0 HG SER A 14 -10.302 -12.897 -10.895 1.00 0.00 H new ATOM 186 N ALA A 15 -14.137 -9.076 -10.765 1.00 0.00 N ATOM 187 CA ALA A 15 -15.122 -8.624 -9.790 1.00 0.00 C ATOM 188 C ALA A 15 -16.308 -7.934 -10.470 1.00 0.00 C ATOM 189 O ALA A 15 -16.165 -7.351 -11.546 1.00 0.00 O ATOM 190 CB ALA A 15 -14.461 -7.694 -8.789 1.00 0.00 C ATOM 0 H ALA A 15 -13.933 -8.405 -11.505 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.512 -9.496 -9.265 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.200 -7.358 -8.062 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.660 -8.224 -8.274 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.048 -6.831 -9.312 1.00 0.00 H new ATOM 196 N PRO A 16 -17.504 -8.005 -9.846 1.00 0.00 N ATOM 197 CA PRO A 16 -18.731 -7.403 -10.378 1.00 0.00 C ATOM 198 C PRO A 16 -18.518 -5.994 -10.941 1.00 0.00 C ATOM 199 O PRO A 16 -17.425 -5.436 -10.858 1.00 0.00 O ATOM 200 CB PRO A 16 -19.680 -7.354 -9.169 1.00 0.00 C ATOM 201 CG PRO A 16 -18.946 -7.966 -8.017 1.00 0.00 C ATOM 202 CD PRO A 16 -17.757 -8.696 -8.578 1.00 0.00 C ATOM 0 HA PRO A 16 -19.116 -7.983 -11.217 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -19.966 -6.327 -8.943 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -20.599 -7.902 -9.377 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.627 -7.197 -7.313 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -19.594 -8.651 -7.470 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.898 -8.638 -7.910 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -17.970 -9.754 -8.732 1.00 0.00 H new ATOM 210 N PRO A 17 -19.576 -5.404 -11.532 1.00 0.00 N ATOM 211 CA PRO A 17 -19.517 -4.059 -12.122 1.00 0.00 C ATOM 212 C PRO A 17 -18.887 -3.020 -11.198 1.00 0.00 C ATOM 213 O PRO A 17 -17.748 -2.615 -11.410 1.00 0.00 O ATOM 214 CB PRO A 17 -20.985 -3.727 -12.397 1.00 0.00 C ATOM 215 CG PRO A 17 -21.641 -5.049 -12.581 1.00 0.00 C ATOM 216 CD PRO A 17 -20.915 -6.008 -11.677 1.00 0.00 C ATOM 0 HA PRO A 17 -18.886 -4.040 -13.011 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -21.429 -3.176 -11.568 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.091 -3.105 -13.286 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -22.699 -4.997 -12.324 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.580 -5.372 -13.620 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -21.416 -6.108 -10.714 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.860 -7.006 -12.113 1.00 0.00 H new ATOM 224 N GLN A 18 -19.630 -2.579 -10.182 1.00 0.00 N ATOM 225 CA GLN A 18 -19.129 -1.572 -9.248 1.00 0.00 C ATOM 226 C GLN A 18 -17.910 -2.071 -8.485 1.00 0.00 C ATOM 227 O GLN A 18 -17.187 -1.282 -7.878 1.00 0.00 O ATOM 228 CB GLN A 18 -20.226 -1.159 -8.267 1.00 0.00 C ATOM 229 CG GLN A 18 -20.864 -2.330 -7.536 1.00 0.00 C ATOM 230 CD GLN A 18 -21.455 -1.929 -6.199 1.00 0.00 C ATOM 231 OE1 GLN A 18 -21.863 -0.785 -6.004 1.00 0.00 O ATOM 232 NE2 GLN A 18 -21.503 -2.874 -5.269 1.00 0.00 N ATOM 0 H GLN A 18 -20.577 -2.902 -9.986 1.00 0.00 H new ATOM 0 HA GLN A 18 -18.827 -0.704 -9.834 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.806 -0.470 -7.534 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -21.000 -0.615 -8.809 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -21.646 -2.761 -8.161 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -20.116 -3.108 -7.380 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -21.153 -3.810 -5.474 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -21.890 -2.665 -4.349 1.00 0.00 H new ATOM 241 N GLU A 19 -17.664 -3.372 -8.539 1.00 0.00 N ATOM 242 CA GLU A 19 -16.510 -3.941 -7.868 1.00 0.00 C ATOM 243 C GLU A 19 -15.288 -3.829 -8.773 1.00 0.00 C ATOM 244 O GLU A 19 -14.445 -4.723 -8.809 1.00 0.00 O ATOM 245 CB GLU A 19 -16.770 -5.407 -7.507 1.00 0.00 C ATOM 246 CG GLU A 19 -17.190 -5.621 -6.062 1.00 0.00 C ATOM 247 CD GLU A 19 -16.346 -6.667 -5.358 1.00 0.00 C ATOM 248 OE1 GLU A 19 -16.641 -7.871 -5.510 1.00 0.00 O ATOM 249 OE2 GLU A 19 -15.390 -6.281 -4.655 1.00 0.00 O ATOM 0 H GLU A 19 -18.244 -4.047 -9.037 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.326 -3.389 -6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.547 -5.800 -8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.866 -5.985 -7.702 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.116 -4.677 -5.522 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.237 -5.924 -6.033 1.00 0.00 H new ATOM 256 N GLN A 20 -15.178 -2.699 -9.471 1.00 0.00 N ATOM 257 CA GLN A 20 -14.027 -2.451 -10.335 1.00 0.00 C ATOM 258 C GLN A 20 -12.794 -2.225 -9.474 1.00 0.00 C ATOM 259 O GLN A 20 -12.028 -3.144 -9.192 1.00 0.00 O ATOM 260 CB GLN A 20 -14.246 -1.254 -11.287 1.00 0.00 C ATOM 261 CG GLN A 20 -15.560 -0.511 -11.094 1.00 0.00 C ATOM 262 CD GLN A 20 -15.876 0.412 -12.253 1.00 0.00 C ATOM 263 OE1 GLN A 20 -16.961 0.350 -12.832 1.00 0.00 O ATOM 264 NE2 GLN A 20 -14.925 1.270 -12.600 1.00 0.00 N ATOM 0 H GLN A 20 -15.867 -1.947 -9.455 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.888 -3.329 -10.966 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.425 -0.549 -11.155 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.196 -1.613 -12.315 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.369 -1.232 -10.977 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.514 0.069 -10.173 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.041 1.285 -12.091 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.078 1.914 -13.376 1.00 0.00 H new ATOM 273 N LYS A 21 -12.636 -0.978 -9.047 1.00 0.00 N ATOM 274 CA LYS A 21 -11.524 -0.566 -8.197 1.00 0.00 C ATOM 275 C LYS A 21 -11.773 -0.947 -6.739 1.00 0.00 C ATOM 276 O LYS A 21 -11.128 -0.421 -5.831 1.00 0.00 O ATOM 277 CB LYS A 21 -11.319 0.942 -8.330 1.00 0.00 C ATOM 278 CG LYS A 21 -11.570 1.447 -9.743 1.00 0.00 C ATOM 279 CD LYS A 21 -10.278 1.614 -10.527 1.00 0.00 C ATOM 280 CE LYS A 21 -10.270 0.752 -11.777 1.00 0.00 C ATOM 281 NZ LYS A 21 -9.690 1.473 -12.943 1.00 0.00 N ATOM 0 H LYS A 21 -13.278 -0.221 -9.281 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.622 -1.085 -8.522 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.987 1.457 -7.640 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.300 1.193 -8.034 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.224 0.749 -10.266 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.093 2.402 -9.699 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.152 2.661 -10.805 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.431 1.348 -9.895 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.696 -0.155 -11.589 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.288 0.442 -12.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.458 1.848 -13.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.098 2.259 -12.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.109 0.817 -13.503 1.00 0.00 H new ATOM 295 N GLN A 22 -12.710 -1.866 -6.525 1.00 0.00 N ATOM 296 CA GLN A 22 -13.057 -2.323 -5.177 1.00 0.00 C ATOM 297 C GLN A 22 -11.868 -2.978 -4.495 1.00 0.00 C ATOM 298 O GLN A 22 -11.356 -2.476 -3.494 1.00 0.00 O ATOM 299 CB GLN A 22 -14.228 -3.313 -5.232 1.00 0.00 C ATOM 300 CG GLN A 22 -15.471 -2.837 -4.495 1.00 0.00 C ATOM 301 CD GLN A 22 -15.482 -3.238 -3.029 1.00 0.00 C ATOM 302 OE1 GLN A 22 -15.569 -2.387 -2.144 1.00 0.00 O ATOM 303 NE2 GLN A 22 -15.393 -4.536 -2.763 1.00 0.00 N ATOM 0 H GLN A 22 -13.246 -2.312 -7.269 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.350 -1.448 -4.597 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.485 -3.500 -6.275 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.907 -4.264 -4.807 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.538 -1.752 -4.570 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.355 -3.245 -4.984 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -15.322 -5.209 -3.526 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.395 -4.860 -1.796 1.00 0.00 H new ATOM 312 N MET A 23 -11.445 -4.109 -5.034 1.00 0.00 N ATOM 313 CA MET A 23 -10.326 -4.842 -4.469 1.00 0.00 C ATOM 314 C MET A 23 -9.056 -3.992 -4.480 1.00 0.00 C ATOM 315 O MET A 23 -8.772 -3.292 -3.514 1.00 0.00 O ATOM 316 CB MET A 23 -10.109 -6.157 -5.220 1.00 0.00 C ATOM 317 CG MET A 23 -11.364 -7.009 -5.329 1.00 0.00 C ATOM 318 SD MET A 23 -11.444 -8.293 -4.061 1.00 0.00 S ATOM 319 CE MET A 23 -11.952 -7.341 -2.630 1.00 0.00 C ATOM 0 H MET A 23 -11.859 -4.539 -5.861 1.00 0.00 H new ATOM 0 HA MET A 23 -10.563 -5.078 -3.431 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.741 -5.937 -6.222 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.333 -6.731 -4.714 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.242 -6.368 -5.248 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.399 -7.474 -6.314 1.00 0.00 H new ATOM 0 HE1 MET A 23 -12.507 -7.982 -1.945 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.071 -6.947 -2.124 1.00 0.00 H new ATOM 0 HE3 MET A 23 -12.587 -6.515 -2.949 1.00 0.00 H new ATOM 329 N LEU A 24 -8.286 -4.069 -5.557 1.00 0.00 N ATOM 330 CA LEU A 24 -7.042 -3.313 -5.665 1.00 0.00 C ATOM 331 C LEU A 24 -7.244 -1.793 -5.650 1.00 0.00 C ATOM 332 O LEU A 24 -6.828 -1.122 -6.597 1.00 0.00 O ATOM 333 CB LEU A 24 -6.285 -3.724 -6.931 1.00 0.00 C ATOM 334 CG LEU A 24 -7.126 -3.938 -8.189 1.00 0.00 C ATOM 335 CD1 LEU A 24 -8.119 -2.805 -8.397 1.00 0.00 C ATOM 336 CD2 LEU A 24 -6.212 -4.080 -9.395 1.00 0.00 C ATOM 0 H LEU A 24 -8.500 -4.647 -6.370 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.458 -3.558 -4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.539 -2.959 -7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.744 -4.647 -6.721 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.703 -4.854 -8.065 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.699 -2.991 -9.301 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.790 -2.748 -7.540 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.580 -1.863 -8.500 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.813 -4.233 -10.291 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.615 -3.175 -9.508 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.551 -4.935 -9.252 1.00 0.00 H new ATOM 348 N GLY A 25 -7.866 -1.240 -4.594 1.00 0.00 N ATOM 349 CA GLY A 25 -8.079 0.200 -4.531 1.00 0.00 C ATOM 350 C GLY A 25 -8.320 0.805 -5.901 1.00 0.00 C ATOM 351 O GLY A 25 -8.831 0.139 -6.801 1.00 0.00 O ATOM 0 H GLY A 25 -8.220 -1.763 -3.793 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.933 0.411 -3.887 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.210 0.674 -4.074 1.00 0.00 H new ATOM 355 N GLU A 26 -7.919 2.055 -6.074 1.00 0.00 N ATOM 356 CA GLU A 26 -8.060 2.720 -7.362 1.00 0.00 C ATOM 357 C GLU A 26 -7.023 2.151 -8.334 1.00 0.00 C ATOM 358 O GLU A 26 -7.308 1.234 -9.103 1.00 0.00 O ATOM 359 CB GLU A 26 -7.898 4.240 -7.224 1.00 0.00 C ATOM 360 CG GLU A 26 -7.316 4.691 -5.887 1.00 0.00 C ATOM 361 CD GLU A 26 -5.857 4.311 -5.733 1.00 0.00 C ATOM 362 OE1 GLU A 26 -5.580 3.176 -5.295 1.00 0.00 O ATOM 363 OE2 GLU A 26 -4.992 5.138 -6.069 1.00 0.00 O ATOM 0 H GLU A 26 -7.495 2.628 -5.344 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.062 2.535 -7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.254 4.599 -8.027 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.871 4.711 -7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.418 5.772 -5.796 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.892 4.247 -5.075 1.00 0.00 H new ATOM 370 N ARG A 27 -5.812 2.708 -8.275 1.00 0.00 N ATOM 371 CA ARG A 27 -4.702 2.279 -9.126 1.00 0.00 C ATOM 372 C ARG A 27 -3.385 2.223 -8.344 1.00 0.00 C ATOM 373 O ARG A 27 -2.312 2.047 -8.930 1.00 0.00 O ATOM 374 CB ARG A 27 -4.549 3.236 -10.306 1.00 0.00 C ATOM 375 CG ARG A 27 -4.692 2.565 -11.657 1.00 0.00 C ATOM 376 CD ARG A 27 -5.981 1.765 -11.748 1.00 0.00 C ATOM 377 NE ARG A 27 -6.544 1.800 -13.092 1.00 0.00 N ATOM 378 CZ ARG A 27 -6.177 0.977 -14.068 1.00 0.00 C ATOM 379 NH1 ARG A 27 -5.226 0.074 -13.861 1.00 0.00 N ATOM 380 NH2 ARG A 27 -6.754 1.060 -15.257 1.00 0.00 N ATOM 0 H ARG A 27 -5.574 3.468 -7.637 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.930 1.276 -9.488 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.296 4.025 -10.221 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.571 3.715 -10.250 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.675 3.320 -12.443 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.841 1.906 -11.829 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.789 0.731 -11.461 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.707 2.163 -11.039 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.261 2.497 -13.295 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.773 0.010 -12.949 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.948 -0.556 -14.614 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.481 1.756 -15.424 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.472 0.428 -16.006 1.00 0.00 H new ATOM 394 N LEU A 28 -3.463 2.378 -7.027 1.00 0.00 N ATOM 395 CA LEU A 28 -2.269 2.355 -6.189 1.00 0.00 C ATOM 396 C LEU A 28 -1.720 0.948 -5.995 1.00 0.00 C ATOM 397 O LEU A 28 -0.521 0.725 -6.157 1.00 0.00 O ATOM 398 CB LEU A 28 -2.561 2.964 -4.826 1.00 0.00 C ATOM 399 CG LEU A 28 -2.438 4.482 -4.765 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.108 5.009 -3.513 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.977 4.908 -4.824 1.00 0.00 C ATOM 0 H LEU A 28 -4.336 2.520 -6.518 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.515 2.945 -6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.571 2.683 -4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.879 2.529 -4.095 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.943 4.909 -5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.014 6.094 -3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.163 4.736 -3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.629 4.576 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.913 5.995 -4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.438 4.478 -3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.533 4.557 -5.755 1.00 0.00 H new ATOM 413 N PHE A 29 -2.585 0.002 -5.633 1.00 0.00 N ATOM 414 CA PHE A 29 -2.147 -1.375 -5.407 1.00 0.00 C ATOM 415 C PHE A 29 -1.257 -1.869 -6.550 1.00 0.00 C ATOM 416 O PHE A 29 -0.207 -2.463 -6.310 1.00 0.00 O ATOM 417 CB PHE A 29 -3.341 -2.298 -5.224 1.00 0.00 C ATOM 418 CG PHE A 29 -2.967 -3.708 -4.867 1.00 0.00 C ATOM 419 CD1 PHE A 29 -2.070 -3.989 -3.836 1.00 0.00 C ATOM 420 CD2 PHE A 29 -3.540 -4.758 -5.559 1.00 0.00 C ATOM 421 CE1 PHE A 29 -1.766 -5.303 -3.520 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.248 -6.062 -5.245 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.360 -6.342 -4.221 1.00 0.00 C ATOM 0 H PHE A 29 -3.583 0.160 -5.491 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.556 -1.389 -4.491 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.985 -1.894 -4.443 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.925 -2.309 -6.144 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.612 -3.181 -3.284 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.231 -4.549 -6.362 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.066 -5.519 -2.727 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.710 -6.868 -5.796 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.130 -7.367 -3.968 1.00 0.00 H new ATOM 433 N PRO A 30 -1.653 -1.618 -7.814 1.00 0.00 N ATOM 434 CA PRO A 30 -0.863 -2.029 -8.973 1.00 0.00 C ATOM 435 C PRO A 30 0.529 -1.415 -8.941 1.00 0.00 C ATOM 436 O PRO A 30 1.523 -2.086 -9.205 1.00 0.00 O ATOM 437 CB PRO A 30 -1.651 -1.495 -10.178 1.00 0.00 C ATOM 438 CG PRO A 30 -3.022 -1.211 -9.669 1.00 0.00 C ATOM 439 CD PRO A 30 -2.878 -0.907 -8.204 1.00 0.00 C ATOM 0 HA PRO A 30 -0.718 -3.109 -9.004 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.188 -0.594 -10.580 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.677 -2.227 -10.985 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.466 -0.368 -10.199 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.679 -2.067 -9.825 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.792 0.165 -8.025 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.741 -1.257 -7.637 1.00 0.00 H new ATOM 447 N LEU A 31 0.590 -0.127 -8.615 1.00 0.00 N ATOM 448 CA LEU A 31 1.865 0.580 -8.551 1.00 0.00 C ATOM 449 C LEU A 31 2.712 0.097 -7.370 1.00 0.00 C ATOM 450 O LEU A 31 3.918 -0.163 -7.500 1.00 0.00 O ATOM 451 CB LEU A 31 1.616 2.084 -8.450 1.00 0.00 C ATOM 452 CG LEU A 31 0.545 2.615 -9.402 1.00 0.00 C ATOM 453 CD1 LEU A 31 -0.055 3.902 -8.864 1.00 0.00 C ATOM 454 CD2 LEU A 31 1.125 2.824 -10.790 1.00 0.00 C ATOM 0 H LEU A 31 -0.224 0.446 -8.392 1.00 0.00 H new ATOM 0 HA LEU A 31 2.421 0.368 -9.464 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.326 2.323 -7.427 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.551 2.608 -8.647 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.252 1.875 -9.475 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.816 4.266 -9.555 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.509 3.713 -7.891 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.728 4.653 -8.759 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.349 3.202 -11.455 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.942 3.544 -10.738 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.501 1.876 -11.174 1.00 0.00 H new ATOM 466 N ILE A 32 2.077 -0.058 -6.220 1.00 0.00 N ATOM 467 CA ILE A 32 2.789 -0.536 -5.048 1.00 0.00 C ATOM 468 C ILE A 32 3.210 -1.972 -5.268 1.00 0.00 C ATOM 469 O ILE A 32 4.304 -2.372 -4.879 1.00 0.00 O ATOM 470 CB ILE A 32 1.945 -0.451 -3.766 1.00 0.00 C ATOM 471 CG1 ILE A 32 2.693 -1.088 -2.598 1.00 0.00 C ATOM 472 CG2 ILE A 32 0.615 -1.131 -3.972 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.860 -0.269 -2.125 1.00 0.00 C ATOM 0 H ILE A 32 1.086 0.137 -6.074 1.00 0.00 H new ATOM 0 HA ILE A 32 3.657 0.109 -4.913 1.00 0.00 H new ATOM 0 HB ILE A 32 1.766 0.599 -3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.001 -1.235 -1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.047 -2.075 -2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.027 -1.064 -3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.078 -0.642 -4.785 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.777 -2.179 -4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.348 -0.777 -1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.571 -0.143 -2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.509 0.709 -1.796 1.00 0.00 H new ATOM 485 N GLN A 33 2.344 -2.742 -5.918 1.00 0.00 N ATOM 486 CA GLN A 33 2.651 -4.129 -6.209 1.00 0.00 C ATOM 487 C GLN A 33 4.048 -4.215 -6.817 1.00 0.00 C ATOM 488 O GLN A 33 4.845 -5.086 -6.476 1.00 0.00 O ATOM 489 CB GLN A 33 1.626 -4.719 -7.184 1.00 0.00 C ATOM 490 CG GLN A 33 0.553 -5.557 -6.510 1.00 0.00 C ATOM 491 CD GLN A 33 0.438 -6.948 -7.102 1.00 0.00 C ATOM 492 OE1 GLN A 33 1.363 -7.444 -7.743 1.00 0.00 O ATOM 493 NE2 GLN A 33 -0.706 -7.586 -6.885 1.00 0.00 N ATOM 0 H GLN A 33 1.432 -2.428 -6.249 1.00 0.00 H new ATOM 0 HA GLN A 33 2.612 -4.702 -5.282 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.149 -3.906 -7.731 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.148 -5.334 -7.917 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.775 -5.637 -5.446 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.407 -5.049 -6.598 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.447 -7.136 -6.347 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.844 -8.526 -7.256 1.00 0.00 H new ATOM 502 N ALA A 34 4.318 -3.285 -7.734 1.00 0.00 N ATOM 503 CA ALA A 34 5.602 -3.212 -8.428 1.00 0.00 C ATOM 504 C ALA A 34 6.769 -3.066 -7.464 1.00 0.00 C ATOM 505 O ALA A 34 7.866 -3.565 -7.717 1.00 0.00 O ATOM 506 CB ALA A 34 5.592 -2.056 -9.420 1.00 0.00 C ATOM 0 H ALA A 34 3.654 -2.564 -8.015 1.00 0.00 H new ATOM 0 HA ALA A 34 5.740 -4.152 -8.962 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.553 -2.008 -9.933 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.798 -2.210 -10.150 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.419 -1.121 -8.887 1.00 0.00 H new ATOM 512 N MET A 35 6.530 -2.363 -6.377 1.00 0.00 N ATOM 513 CA MET A 35 7.575 -2.127 -5.375 1.00 0.00 C ATOM 514 C MET A 35 7.454 -3.077 -4.178 1.00 0.00 C ATOM 515 O MET A 35 8.406 -3.778 -3.836 1.00 0.00 O ATOM 516 CB MET A 35 7.525 -0.678 -4.906 1.00 0.00 C ATOM 517 CG MET A 35 7.596 0.322 -6.047 1.00 0.00 C ATOM 518 SD MET A 35 8.587 1.771 -5.648 1.00 0.00 S ATOM 519 CE MET A 35 7.305 3.005 -5.455 1.00 0.00 C ATOM 0 H MET A 35 5.628 -1.942 -6.155 1.00 0.00 H new ATOM 0 HA MET A 35 8.537 -2.326 -5.848 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.604 -0.516 -4.346 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.352 -0.496 -4.220 1.00 0.00 H new ATOM 0 HG2 MET A 35 8.015 -0.167 -6.927 1.00 0.00 H new ATOM 0 HG3 MET A 35 6.587 0.639 -6.309 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.556 3.886 -6.046 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.354 2.598 -5.797 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.224 3.284 -4.404 1.00 0.00 H new ATOM 529 N HIS A 36 6.275 -3.120 -3.570 1.00 0.00 N ATOM 530 CA HIS A 36 6.013 -4.009 -2.442 1.00 0.00 C ATOM 531 C HIS A 36 6.923 -3.756 -1.239 1.00 0.00 C ATOM 532 O HIS A 36 7.392 -4.700 -0.601 1.00 0.00 O ATOM 533 CB HIS A 36 6.151 -5.461 -2.883 1.00 0.00 C ATOM 534 CG HIS A 36 4.857 -6.073 -3.297 1.00 0.00 C ATOM 535 ND1 HIS A 36 3.609 -5.556 -3.324 1.00 0.00 N flip ATOM 536 CD2 HIS A 36 4.746 -7.368 -3.750 1.00 0.00 C flip ATOM 537 CE1 HIS A 36 2.774 -6.540 -3.789 1.00 0.00 C flip ATOM 538 NE2 HIS A 36 3.484 -7.624 -4.038 1.00 0.00 N flip ATOM 0 H HIS A 36 5.478 -2.545 -3.841 1.00 0.00 H new ATOM 0 HA HIS A 36 4.994 -3.799 -2.117 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.854 -5.517 -3.714 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.576 -6.044 -2.066 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.564 -8.066 -3.854 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.707 -6.443 -3.929 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.120 -8.508 -4.392 1.00 0.00 H new ATOM 546 N PRO A 37 7.158 -2.490 -0.878 1.00 0.00 N ATOM 547 CA PRO A 37 7.975 -2.158 0.283 1.00 0.00 C ATOM 548 C PRO A 37 7.382 -2.760 1.558 1.00 0.00 C ATOM 549 O PRO A 37 7.908 -3.733 2.099 1.00 0.00 O ATOM 550 CB PRO A 37 7.941 -0.622 0.332 1.00 0.00 C ATOM 551 CG PRO A 37 6.763 -0.231 -0.494 1.00 0.00 C ATOM 552 CD PRO A 37 6.622 -1.302 -1.539 1.00 0.00 C ATOM 0 HA PRO A 37 8.988 -2.553 0.211 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.841 -0.263 1.356 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.861 -0.195 -0.067 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.863 -0.160 0.117 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.914 0.746 -0.953 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.582 -1.441 -1.835 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.180 -1.058 -2.443 1.00 0.00 H new ATOM 560 N THR A 38 6.297 -2.158 2.043 1.00 0.00 N ATOM 561 CA THR A 38 5.642 -2.613 3.271 1.00 0.00 C ATOM 562 C THR A 38 4.510 -3.600 2.983 1.00 0.00 C ATOM 563 O THR A 38 4.576 -4.768 3.373 1.00 0.00 O ATOM 564 CB THR A 38 5.102 -1.408 4.065 1.00 0.00 C ATOM 565 OG1 THR A 38 3.858 -0.968 3.543 1.00 0.00 O ATOM 566 CG2 THR A 38 6.041 -0.218 4.075 1.00 0.00 C ATOM 0 H THR A 38 5.851 -1.352 1.604 1.00 0.00 H new ATOM 0 HA THR A 38 6.391 -3.134 3.867 1.00 0.00 H new ATOM 0 HB THR A 38 4.993 -1.773 5.086 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.690 -0.047 3.832 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.595 0.592 4.652 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.990 -0.507 4.527 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.214 0.118 3.052 1.00 0.00 H new ATOM 574 N LEU A 39 3.466 -3.119 2.311 1.00 0.00 N ATOM 575 CA LEU A 39 2.309 -3.950 1.981 1.00 0.00 C ATOM 576 C LEU A 39 1.427 -3.250 0.951 1.00 0.00 C ATOM 577 O LEU A 39 0.751 -2.280 1.268 1.00 0.00 O ATOM 578 CB LEU A 39 1.488 -4.240 3.245 1.00 0.00 C ATOM 579 CG LEU A 39 1.537 -5.683 3.758 1.00 0.00 C ATOM 580 CD1 LEU A 39 0.706 -5.826 5.027 1.00 0.00 C ATOM 581 CD2 LEU A 39 1.045 -6.651 2.688 1.00 0.00 C ATOM 0 H LEU A 39 3.397 -2.155 1.983 1.00 0.00 H new ATOM 0 HA LEU A 39 2.669 -4.889 1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.836 -3.580 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.448 -3.980 3.047 1.00 0.00 H new ATOM 0 HG LEU A 39 2.573 -5.928 3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.752 -6.857 5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.101 -5.163 5.797 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.330 -5.560 4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.088 -7.670 3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.017 -6.407 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.678 -6.569 1.805 1.00 0.00 H new ATOM 593 N ALA A 40 1.430 -3.751 -0.277 1.00 0.00 N ATOM 594 CA ALA A 40 0.620 -3.166 -1.345 1.00 0.00 C ATOM 595 C ALA A 40 -0.854 -3.083 -0.978 1.00 0.00 C ATOM 596 O ALA A 40 -1.470 -2.030 -1.141 1.00 0.00 O ATOM 597 CB ALA A 40 0.862 -3.915 -2.642 1.00 0.00 C ATOM 0 H ALA A 40 1.982 -4.560 -0.561 1.00 0.00 H new ATOM 0 HA ALA A 40 0.935 -2.132 -1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.256 -3.475 -3.434 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.916 -3.846 -2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.588 -4.962 -2.514 1.00 0.00 H new ATOM 603 N GLY A 41 -1.431 -4.170 -0.494 1.00 0.00 N ATOM 604 CA GLY A 41 -2.834 -4.132 -0.127 1.00 0.00 C ATOM 605 C GLY A 41 -3.140 -3.009 0.852 1.00 0.00 C ATOM 606 O GLY A 41 -4.094 -2.256 0.672 1.00 0.00 O ATOM 0 H GLY A 41 -0.965 -5.066 -0.349 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.440 -4.005 -1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.118 -5.086 0.317 1.00 0.00 H new ATOM 610 N LYS A 42 -2.326 -2.916 1.893 1.00 0.00 N ATOM 611 CA LYS A 42 -2.507 -1.897 2.926 1.00 0.00 C ATOM 612 C LYS A 42 -2.001 -0.515 2.497 1.00 0.00 C ATOM 613 O LYS A 42 -2.644 0.495 2.783 1.00 0.00 O ATOM 614 CB LYS A 42 -1.812 -2.329 4.215 1.00 0.00 C ATOM 615 CG LYS A 42 -2.756 -2.966 5.222 1.00 0.00 C ATOM 616 CD LYS A 42 -3.039 -2.034 6.390 1.00 0.00 C ATOM 617 CE LYS A 42 -4.124 -1.023 6.050 1.00 0.00 C ATOM 618 NZ LYS A 42 -5.454 -1.430 6.584 1.00 0.00 N ATOM 0 H LYS A 42 -1.530 -3.534 2.048 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.580 -1.805 3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.019 -3.036 3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.336 -1.461 4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.692 -3.228 4.729 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.321 -3.894 5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.345 -2.619 7.257 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.125 -1.508 6.667 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.852 -0.049 6.457 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.187 -0.909 4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.005 -1.889 5.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.323 -2.096 7.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.964 -0.589 6.923 1.00 0.00 H new ATOM 632 N ILE A 43 -0.865 -0.471 1.808 1.00 0.00 N ATOM 633 CA ILE A 43 -0.300 0.799 1.351 1.00 0.00 C ATOM 634 C ILE A 43 -1.302 1.546 0.482 1.00 0.00 C ATOM 635 O ILE A 43 -1.477 2.759 0.603 1.00 0.00 O ATOM 636 CB ILE A 43 1.008 0.582 0.547 1.00 0.00 C ATOM 637 CG1 ILE A 43 2.041 1.650 0.895 1.00 0.00 C ATOM 638 CG2 ILE A 43 0.751 0.577 -0.956 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.447 1.099 1.026 1.00 0.00 C ATOM 0 H ILE A 43 -0.318 -1.294 1.554 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.071 1.389 2.238 1.00 0.00 H new ATOM 0 HB ILE A 43 1.400 -0.396 0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.030 2.422 0.125 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.757 2.130 1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.691 0.422 -1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.058 -0.227 -1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.319 1.532 -1.255 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.133 1.909 1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.471 0.348 1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.749 0.644 0.083 1.00 0.00 H new ATOM 651 N THR A 44 -1.938 0.796 -0.409 1.00 0.00 N ATOM 652 CA THR A 44 -2.911 1.349 -1.338 1.00 0.00 C ATOM 653 C THR A 44 -3.902 2.255 -0.623 1.00 0.00 C ATOM 654 O THR A 44 -4.112 3.394 -1.028 1.00 0.00 O ATOM 655 CB THR A 44 -3.657 0.213 -2.055 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.754 -0.593 -2.795 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.725 0.694 -3.014 1.00 0.00 C ATOM 0 H THR A 44 -1.794 -0.209 -0.507 1.00 0.00 H new ATOM 0 HA THR A 44 -2.375 1.949 -2.073 1.00 0.00 H new ATOM 0 HB THR A 44 -4.139 -0.353 -1.258 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.085 -0.976 -2.189 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.207 -0.164 -3.482 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.468 1.276 -2.469 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.269 1.318 -3.783 1.00 0.00 H new ATOM 665 N GLY A 45 -4.505 1.749 0.438 1.00 0.00 N ATOM 666 CA GLY A 45 -5.466 2.544 1.175 1.00 0.00 C ATOM 667 C GLY A 45 -4.884 3.832 1.707 1.00 0.00 C ATOM 668 O GLY A 45 -5.549 4.868 1.705 1.00 0.00 O ATOM 0 H GLY A 45 -4.350 0.809 0.802 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.311 2.775 0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.853 1.956 2.007 1.00 0.00 H new ATOM 672 N MET A 46 -3.648 3.774 2.171 1.00 0.00 N ATOM 673 CA MET A 46 -2.992 4.944 2.719 1.00 0.00 C ATOM 674 C MET A 46 -2.766 5.993 1.641 1.00 0.00 C ATOM 675 O MET A 46 -3.229 7.125 1.768 1.00 0.00 O ATOM 676 CB MET A 46 -1.688 4.539 3.395 1.00 0.00 C ATOM 677 CG MET A 46 -1.874 4.181 4.863 1.00 0.00 C ATOM 678 SD MET A 46 -2.973 2.774 5.100 1.00 0.00 S ATOM 679 CE MET A 46 -1.769 1.483 5.391 1.00 0.00 C ATOM 0 H MET A 46 -3.079 2.927 2.178 1.00 0.00 H new ATOM 0 HA MET A 46 -3.638 5.394 3.473 1.00 0.00 H new ATOM 0 HB2 MET A 46 -1.260 3.686 2.869 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.972 5.356 3.312 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.903 3.957 5.304 1.00 0.00 H new ATOM 0 HG3 MET A 46 -2.275 5.044 5.395 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.249 0.509 5.293 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.963 1.566 4.661 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.360 1.587 6.396 1.00 0.00 H new ATOM 689 N LEU A 47 -2.056 5.630 0.577 1.00 0.00 N ATOM 690 CA LEU A 47 -1.794 6.568 -0.492 1.00 0.00 C ATOM 691 C LEU A 47 -3.106 7.089 -1.071 1.00 0.00 C ATOM 692 O LEU A 47 -3.120 8.113 -1.756 1.00 0.00 O ATOM 693 CB LEU A 47 -0.968 5.895 -1.586 1.00 0.00 C ATOM 694 CG LEU A 47 0.485 5.578 -1.250 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.414 6.696 -1.724 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.679 5.299 0.229 1.00 0.00 C ATOM 0 H LEU A 47 -1.658 4.701 0.439 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.231 7.410 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.464 4.965 -1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.981 6.538 -2.466 1.00 0.00 H new ATOM 0 HG LEU A 47 0.748 4.666 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.444 6.444 -1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.323 6.812 -2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.138 7.630 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.729 5.078 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.380 6.174 0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.068 4.445 0.521 1.00 0.00 H new ATOM 708 N LEU A 48 -4.209 6.373 -0.822 1.00 0.00 N ATOM 709 CA LEU A 48 -5.521 6.771 -1.351 1.00 0.00 C ATOM 710 C LEU A 48 -5.982 8.142 -0.826 1.00 0.00 C ATOM 711 O LEU A 48 -7.180 8.427 -0.805 1.00 0.00 O ATOM 712 CB LEU A 48 -6.576 5.700 -1.016 1.00 0.00 C ATOM 713 CG LEU A 48 -7.148 4.937 -2.220 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.270 3.750 -2.569 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.563 4.457 -1.940 1.00 0.00 C ATOM 0 H LEU A 48 -4.221 5.521 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.413 6.859 -2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.132 4.980 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.400 6.179 -0.487 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.171 5.625 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.693 3.223 -3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.268 4.099 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.217 3.073 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.944 3.920 -2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.557 3.792 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.204 5.314 -1.734 1.00 0.00 H new ATOM 727 N GLU A 49 -5.041 8.997 -0.420 1.00 0.00 N ATOM 728 CA GLU A 49 -5.378 10.328 0.080 1.00 0.00 C ATOM 729 C GLU A 49 -5.751 11.272 -1.062 1.00 0.00 C ATOM 730 O GLU A 49 -6.223 12.385 -0.829 1.00 0.00 O ATOM 731 CB GLU A 49 -4.186 10.915 0.840 1.00 0.00 C ATOM 732 CG GLU A 49 -2.951 11.107 -0.027 1.00 0.00 C ATOM 733 CD GLU A 49 -1.660 10.975 0.756 1.00 0.00 C ATOM 734 OE1 GLU A 49 -1.199 11.991 1.318 1.00 0.00 O ATOM 735 OE2 GLU A 49 -1.110 9.855 0.805 1.00 0.00 O ATOM 0 H GLU A 49 -4.042 8.790 -0.428 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.236 10.227 0.745 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.474 11.876 1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.937 10.258 1.673 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.960 10.372 -0.832 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.989 12.091 -0.494 1.00 0.00 H new ATOM 742 N ILE A 50 -5.512 10.830 -2.293 1.00 0.00 N ATOM 743 CA ILE A 50 -5.795 11.638 -3.469 1.00 0.00 C ATOM 744 C ILE A 50 -6.998 11.074 -4.244 1.00 0.00 C ATOM 745 O ILE A 50 -7.473 9.979 -3.947 1.00 0.00 O ATOM 746 CB ILE A 50 -4.524 11.719 -4.355 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.443 13.051 -5.111 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.431 10.543 -5.311 1.00 0.00 C ATOM 749 CD1 ILE A 50 -4.494 14.266 -4.211 1.00 0.00 C ATOM 0 H ILE A 50 -5.121 9.911 -2.500 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.064 12.648 -3.160 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.666 11.668 -3.684 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.518 13.076 -5.687 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.265 13.104 -5.825 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.528 10.635 -5.914 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.394 9.614 -4.742 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.304 10.535 -5.964 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.432 15.170 -4.817 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.430 14.267 -3.653 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.657 14.238 -3.514 1.00 0.00 H new ATOM 761 N ASP A 51 -7.464 11.811 -5.250 1.00 0.00 N ATOM 762 CA ASP A 51 -8.582 11.375 -6.084 1.00 0.00 C ATOM 763 C ASP A 51 -8.172 10.258 -7.041 1.00 0.00 C ATOM 764 O ASP A 51 -7.042 10.230 -7.527 1.00 0.00 O ATOM 765 CB ASP A 51 -9.134 12.559 -6.883 1.00 0.00 C ATOM 766 CG ASP A 51 -10.362 13.175 -6.244 1.00 0.00 C ATOM 767 OD1 ASP A 51 -11.045 12.474 -5.467 1.00 0.00 O ATOM 768 OD2 ASP A 51 -10.643 14.361 -6.520 1.00 0.00 O ATOM 0 H ASP A 51 -7.081 12.720 -5.509 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.354 10.985 -5.421 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.359 13.320 -6.979 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.382 12.227 -7.891 1.00 0.00 H new ATOM 773 N ASN A 52 -9.106 9.356 -7.332 1.00 0.00 N ATOM 774 CA ASN A 52 -8.847 8.255 -8.260 1.00 0.00 C ATOM 775 C ASN A 52 -8.221 8.778 -9.563 1.00 0.00 C ATOM 776 O ASN A 52 -7.558 8.036 -10.284 1.00 0.00 O ATOM 777 CB ASN A 52 -10.162 7.505 -8.542 1.00 0.00 C ATOM 778 CG ASN A 52 -10.188 6.757 -9.871 1.00 0.00 C ATOM 779 OD1 ASN A 52 -10.223 7.373 -10.935 1.00 0.00 O ATOM 780 ND2 ASN A 52 -10.181 5.422 -9.821 1.00 0.00 N ATOM 0 H ASN A 52 -10.048 9.364 -6.940 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.135 7.564 -7.808 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.341 6.794 -7.735 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.985 8.220 -8.525 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.205 4.879 -10.684 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.152 4.946 -8.920 1.00 0.00 H new ATOM 787 N SER A 53 -8.454 10.060 -9.860 1.00 0.00 N ATOM 788 CA SER A 53 -7.933 10.683 -11.077 1.00 0.00 C ATOM 789 C SER A 53 -6.425 10.933 -11.001 1.00 0.00 C ATOM 790 O SER A 53 -5.721 10.819 -12.005 1.00 0.00 O ATOM 791 CB SER A 53 -8.657 12.006 -11.336 1.00 0.00 C ATOM 792 OG SER A 53 -8.071 13.060 -10.592 1.00 0.00 O ATOM 0 H SER A 53 -9.002 10.687 -9.271 1.00 0.00 H new ATOM 0 HA SER A 53 -8.113 9.989 -11.898 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.620 12.243 -12.399 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.709 11.908 -11.068 1.00 0.00 H new ATOM 0 HG SER A 53 -8.550 13.895 -10.775 1.00 0.00 H new ATOM 798 N GLU A 54 -5.932 11.280 -9.813 1.00 0.00 N ATOM 799 CA GLU A 54 -4.505 11.545 -9.632 1.00 0.00 C ATOM 800 C GLU A 54 -3.717 10.243 -9.591 1.00 0.00 C ATOM 801 O GLU A 54 -2.648 10.130 -10.193 1.00 0.00 O ATOM 802 CB GLU A 54 -4.257 12.349 -8.349 1.00 0.00 C ATOM 803 CG GLU A 54 -3.764 13.766 -8.600 1.00 0.00 C ATOM 804 CD GLU A 54 -2.487 13.801 -9.420 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.395 13.665 -8.827 1.00 0.00 O ATOM 806 OE2 GLU A 54 -2.579 13.965 -10.656 1.00 0.00 O ATOM 0 H GLU A 54 -6.494 11.384 -8.968 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.164 12.135 -10.483 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.182 12.392 -7.774 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.525 11.822 -7.737 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.540 14.331 -9.117 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.592 14.262 -7.645 1.00 0.00 H new ATOM 813 N LEU A 55 -4.248 9.260 -8.876 1.00 0.00 N ATOM 814 CA LEU A 55 -3.591 7.968 -8.758 1.00 0.00 C ATOM 815 C LEU A 55 -3.491 7.283 -10.114 1.00 0.00 C ATOM 816 O LEU A 55 -2.568 6.508 -10.358 1.00 0.00 O ATOM 817 CB LEU A 55 -4.335 7.101 -7.750 1.00 0.00 C ATOM 818 CG LEU A 55 -4.679 7.835 -6.455 1.00 0.00 C ATOM 819 CD1 LEU A 55 -6.149 7.682 -6.104 1.00 0.00 C ATOM 820 CD2 LEU A 55 -3.805 7.354 -5.309 1.00 0.00 C ATOM 0 H LEU A 55 -5.131 9.334 -8.370 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.574 8.120 -8.397 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.254 6.734 -8.206 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.726 6.228 -7.514 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.482 8.895 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.359 8.216 -5.177 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.760 8.094 -6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.384 6.626 -5.975 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.070 7.892 -4.399 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.960 6.286 -5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.758 7.539 -5.548 1.00 0.00 H new ATOM 832 N LEU A 56 -4.428 7.600 -11.001 1.00 0.00 N ATOM 833 CA LEU A 56 -4.420 7.039 -12.345 1.00 0.00 C ATOM 834 C LEU A 56 -3.227 7.587 -13.123 1.00 0.00 C ATOM 835 O LEU A 56 -2.541 6.857 -13.839 1.00 0.00 O ATOM 836 CB LEU A 56 -5.720 7.374 -13.076 1.00 0.00 C ATOM 837 CG LEU A 56 -6.877 6.405 -12.820 1.00 0.00 C ATOM 838 CD1 LEU A 56 -8.207 7.072 -13.132 1.00 0.00 C ATOM 839 CD2 LEU A 56 -6.709 5.135 -13.644 1.00 0.00 C ATOM 0 H LEU A 56 -5.200 8.240 -10.814 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.336 5.955 -12.272 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.035 8.376 -12.785 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.520 7.401 -14.147 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.867 6.130 -11.765 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.019 6.370 -12.945 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.332 7.949 -12.497 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.225 7.376 -14.178 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.542 4.460 -13.447 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.691 5.389 -14.704 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.774 4.646 -13.372 1.00 0.00 H new ATOM 851 N HIS A 57 -2.993 8.889 -12.971 1.00 0.00 N ATOM 852 CA HIS A 57 -1.889 9.562 -13.651 1.00 0.00 C ATOM 853 C HIS A 57 -0.560 8.896 -13.301 1.00 0.00 C ATOM 854 O HIS A 57 0.328 8.785 -14.144 1.00 0.00 O ATOM 855 CB HIS A 57 -1.851 11.043 -13.258 1.00 0.00 C ATOM 856 CG HIS A 57 -2.182 11.977 -14.384 1.00 0.00 C ATOM 857 ND1 HIS A 57 -1.226 12.690 -15.078 1.00 0.00 N ATOM 858 CD2 HIS A 57 -3.372 12.319 -14.933 1.00 0.00 C ATOM 859 CE1 HIS A 57 -1.813 13.430 -16.002 1.00 0.00 C ATOM 860 NE2 HIS A 57 -3.115 13.224 -15.935 1.00 0.00 N ATOM 0 H HIS A 57 -3.556 9.501 -12.380 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.047 9.483 -14.727 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.553 11.211 -12.441 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.858 11.283 -12.879 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.343 11.949 -14.638 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.313 14.091 -16.694 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.816 13.665 -16.530 1.00 0.00 H new ATOM 868 N MET A 58 -0.438 8.449 -12.055 1.00 0.00 N ATOM 869 CA MET A 58 0.775 7.785 -11.598 1.00 0.00 C ATOM 870 C MET A 58 0.988 6.480 -12.364 1.00 0.00 C ATOM 871 O MET A 58 2.107 6.155 -12.762 1.00 0.00 O ATOM 872 CB MET A 58 0.698 7.531 -10.088 1.00 0.00 C ATOM 873 CG MET A 58 0.875 8.797 -9.258 1.00 0.00 C ATOM 874 SD MET A 58 -0.366 8.973 -7.966 1.00 0.00 S ATOM 875 CE MET A 58 0.152 7.707 -6.811 1.00 0.00 C ATOM 0 H MET A 58 -1.165 8.535 -11.345 1.00 0.00 H new ATOM 0 HA MET A 58 1.630 8.433 -11.793 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.265 7.080 -9.850 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.466 6.810 -9.807 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.866 8.791 -8.804 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.832 9.665 -9.916 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.060 8.084 -5.792 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.478 6.826 -6.930 1.00 0.00 H new ATOM 0 HE3 MET A 58 1.190 7.439 -7.006 1.00 0.00 H new ATOM 885 N LEU A 59 -0.099 5.740 -12.571 1.00 0.00 N ATOM 886 CA LEU A 59 -0.033 4.471 -13.294 1.00 0.00 C ATOM 887 C LEU A 59 0.468 4.690 -14.717 1.00 0.00 C ATOM 888 O LEU A 59 1.112 3.814 -15.297 1.00 0.00 O ATOM 889 CB LEU A 59 -1.409 3.783 -13.306 1.00 0.00 C ATOM 890 CG LEU A 59 -1.642 2.799 -14.462 1.00 0.00 C ATOM 891 CD1 LEU A 59 -2.150 1.459 -13.947 1.00 0.00 C ATOM 892 CD2 LEU A 59 -2.612 3.393 -15.476 1.00 0.00 C ATOM 0 H LEU A 59 -1.033 5.995 -12.250 1.00 0.00 H new ATOM 0 HA LEU A 59 0.672 3.819 -12.778 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.538 3.249 -12.365 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.181 4.552 -13.344 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.687 2.623 -14.958 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.306 0.782 -14.787 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.416 1.029 -13.266 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.092 1.606 -13.419 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.767 2.684 -16.289 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.565 3.601 -14.989 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.199 4.319 -15.876 1.00 0.00 H new ATOM 904 N GLU A 60 0.185 5.859 -15.271 1.00 0.00 N ATOM 905 CA GLU A 60 0.625 6.179 -16.621 1.00 0.00 C ATOM 906 C GLU A 60 1.948 6.943 -16.600 1.00 0.00 C ATOM 907 O GLU A 60 2.550 7.182 -17.647 1.00 0.00 O ATOM 908 CB GLU A 60 -0.447 6.991 -17.348 1.00 0.00 C ATOM 909 CG GLU A 60 -1.793 6.288 -17.419 1.00 0.00 C ATOM 910 CD GLU A 60 -2.370 6.259 -18.821 1.00 0.00 C ATOM 911 OE1 GLU A 60 -2.374 7.318 -19.482 1.00 0.00 O ATOM 912 OE2 GLU A 60 -2.816 5.178 -19.256 1.00 0.00 O ATOM 0 H GLU A 60 -0.345 6.599 -14.810 1.00 0.00 H new ATOM 0 HA GLU A 60 0.784 5.244 -17.158 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.572 7.949 -16.843 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.105 7.207 -18.360 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.683 5.266 -17.055 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.495 6.790 -16.753 1.00 0.00 H new ATOM 919 N SER A 61 2.402 7.325 -15.405 1.00 0.00 N ATOM 920 CA SER A 61 3.654 8.058 -15.266 1.00 0.00 C ATOM 921 C SER A 61 4.406 7.622 -14.009 1.00 0.00 C ATOM 922 O SER A 61 4.228 8.201 -12.937 1.00 0.00 O ATOM 923 CB SER A 61 3.385 9.562 -15.223 1.00 0.00 C ATOM 924 OG SER A 61 2.502 9.947 -16.263 1.00 0.00 O ATOM 0 H SER A 61 1.921 7.138 -14.525 1.00 0.00 H new ATOM 0 HA SER A 61 4.277 7.834 -16.132 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.956 9.832 -14.258 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.324 10.107 -15.318 1.00 0.00 H new ATOM 0 HG SER A 61 2.342 10.913 -16.216 1.00 0.00 H new ATOM 930 N PRO A 62 5.258 6.589 -14.125 1.00 0.00 N ATOM 931 CA PRO A 62 6.037 6.075 -12.996 1.00 0.00 C ATOM 932 C PRO A 62 6.787 7.177 -12.251 1.00 0.00 C ATOM 933 O PRO A 62 7.038 7.068 -11.049 1.00 0.00 O ATOM 934 CB PRO A 62 7.023 5.111 -13.653 1.00 0.00 C ATOM 935 CG PRO A 62 6.347 4.668 -14.903 1.00 0.00 C ATOM 936 CD PRO A 62 5.528 5.841 -15.370 1.00 0.00 C ATOM 0 HA PRO A 62 5.399 5.610 -12.244 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.972 5.602 -13.869 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.243 4.265 -13.001 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.076 4.376 -15.659 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.715 3.800 -14.718 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.072 6.448 -16.093 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.605 5.520 -15.854 1.00 0.00 H new ATOM 944 N GLU A 63 7.146 8.233 -12.975 1.00 0.00 N ATOM 945 CA GLU A 63 7.878 9.356 -12.393 1.00 0.00 C ATOM 946 C GLU A 63 7.127 9.946 -11.202 1.00 0.00 C ATOM 947 O GLU A 63 7.660 10.026 -10.094 1.00 0.00 O ATOM 948 CB GLU A 63 8.121 10.442 -13.449 1.00 0.00 C ATOM 949 CG GLU A 63 6.897 10.760 -14.300 1.00 0.00 C ATOM 950 CD GLU A 63 7.210 10.862 -15.780 1.00 0.00 C ATOM 951 OE1 GLU A 63 8.405 10.851 -16.141 1.00 0.00 O ATOM 952 OE2 GLU A 63 6.255 10.951 -16.581 1.00 0.00 O ATOM 0 H GLU A 63 6.942 8.336 -13.969 1.00 0.00 H new ATOM 0 HA GLU A 63 8.839 8.981 -12.040 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.451 11.353 -12.950 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.933 10.124 -14.103 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.145 9.986 -14.147 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.461 11.700 -13.962 1.00 0.00 H new ATOM 959 N SER A 64 5.881 10.343 -11.432 1.00 0.00 N ATOM 960 CA SER A 64 5.056 10.909 -10.377 1.00 0.00 C ATOM 961 C SER A 64 4.628 9.809 -9.423 1.00 0.00 C ATOM 962 O SER A 64 4.476 10.025 -8.222 1.00 0.00 O ATOM 963 CB SER A 64 3.826 11.601 -10.972 1.00 0.00 C ATOM 964 OG SER A 64 3.705 12.932 -10.497 1.00 0.00 O ATOM 0 H SER A 64 5.422 10.282 -12.341 1.00 0.00 H new ATOM 0 HA SER A 64 5.637 11.653 -9.832 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.899 11.606 -12.060 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.929 11.038 -10.715 1.00 0.00 H new ATOM 0 HG SER A 64 2.913 13.350 -10.894 1.00 0.00 H new ATOM 970 N LEU A 65 4.424 8.624 -9.981 1.00 0.00 N ATOM 971 CA LEU A 65 4.004 7.482 -9.197 1.00 0.00 C ATOM 972 C LEU A 65 4.997 7.206 -8.079 1.00 0.00 C ATOM 973 O LEU A 65 4.649 7.284 -6.901 1.00 0.00 O ATOM 974 CB LEU A 65 3.848 6.251 -10.094 1.00 0.00 C ATOM 975 CG LEU A 65 3.674 4.917 -9.368 1.00 0.00 C ATOM 976 CD1 LEU A 65 5.029 4.346 -8.984 1.00 0.00 C ATOM 977 CD2 LEU A 65 2.778 5.083 -8.145 1.00 0.00 C ATOM 0 H LEU A 65 4.544 8.433 -10.976 1.00 0.00 H new ATOM 0 HA LEU A 65 3.038 7.708 -8.746 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.986 6.405 -10.743 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.724 6.181 -10.738 1.00 0.00 H new ATOM 0 HG LEU A 65 3.188 4.212 -10.042 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.890 3.396 -8.468 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.625 4.187 -9.883 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.545 5.045 -8.326 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.667 4.122 -7.642 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.228 5.801 -7.459 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.798 5.444 -8.458 1.00 0.00 H new ATOM 989 N ARG A 66 6.233 6.889 -8.436 1.00 0.00 N ATOM 990 CA ARG A 66 7.246 6.605 -7.427 1.00 0.00 C ATOM 991 C ARG A 66 7.337 7.743 -6.420 1.00 0.00 C ATOM 992 O ARG A 66 7.675 7.535 -5.255 1.00 0.00 O ATOM 993 CB ARG A 66 8.609 6.357 -8.081 1.00 0.00 C ATOM 994 CG ARG A 66 8.818 4.910 -8.504 1.00 0.00 C ATOM 995 CD ARG A 66 10.240 4.651 -8.974 1.00 0.00 C ATOM 996 NE ARG A 66 10.277 4.187 -10.359 1.00 0.00 N ATOM 997 CZ ARG A 66 9.695 3.063 -10.780 1.00 0.00 C ATOM 998 NH1 ARG A 66 9.053 2.278 -9.923 1.00 0.00 N ATOM 999 NH2 ARG A 66 9.757 2.720 -12.061 1.00 0.00 N ATOM 0 H ARG A 66 6.557 6.822 -9.401 1.00 0.00 H new ATOM 0 HA ARG A 66 6.951 5.700 -6.896 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.708 7.002 -8.954 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.397 6.642 -7.383 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.588 4.251 -7.667 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.121 4.663 -9.305 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.826 5.565 -8.881 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.706 3.907 -8.329 1.00 0.00 H new ATOM 0 HE ARG A 66 10.777 4.755 -11.043 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.003 2.533 -8.937 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.610 1.420 -10.251 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.250 3.316 -12.725 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.311 1.860 -12.381 1.00 0.00 H new ATOM 1013 N SER A 67 7.034 8.948 -6.882 1.00 0.00 N ATOM 1014 CA SER A 67 7.081 10.128 -6.024 1.00 0.00 C ATOM 1015 C SER A 67 6.153 9.988 -4.816 1.00 0.00 C ATOM 1016 O SER A 67 6.529 10.333 -3.701 1.00 0.00 O ATOM 1017 CB SER A 67 6.701 11.376 -6.816 1.00 0.00 C ATOM 1018 OG SER A 67 7.480 11.493 -7.993 1.00 0.00 O ATOM 0 H SER A 67 6.753 9.136 -7.844 1.00 0.00 H new ATOM 0 HA SER A 67 8.104 10.223 -5.659 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.644 11.335 -7.079 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.841 12.261 -6.195 1.00 0.00 H new ATOM 0 HG SER A 67 7.187 10.824 -8.647 1.00 0.00 H new ATOM 1024 N LYS A 68 4.936 9.500 -5.045 1.00 0.00 N ATOM 1025 CA LYS A 68 3.959 9.346 -3.964 1.00 0.00 C ATOM 1026 C LYS A 68 4.220 8.088 -3.139 1.00 0.00 C ATOM 1027 O LYS A 68 4.251 8.137 -1.910 1.00 0.00 O ATOM 1028 CB LYS A 68 2.536 9.307 -4.529 1.00 0.00 C ATOM 1029 CG LYS A 68 2.343 10.165 -5.772 1.00 0.00 C ATOM 1030 CD LYS A 68 1.162 11.116 -5.622 1.00 0.00 C ATOM 1031 CE LYS A 68 1.481 12.496 -6.171 1.00 0.00 C ATOM 1032 NZ LYS A 68 0.992 12.664 -7.569 1.00 0.00 N ATOM 0 H LYS A 68 4.602 9.205 -5.963 1.00 0.00 H new ATOM 0 HA LYS A 68 4.065 10.209 -3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.278 8.275 -4.768 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.840 9.639 -3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.250 10.738 -5.963 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.185 9.522 -6.637 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.297 10.707 -6.144 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.891 11.197 -4.569 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.026 13.254 -5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.558 12.659 -6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.648 13.275 -8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.938 11.734 -8.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.048 13.100 -7.556 1.00 0.00 H new ATOM 1046 N VAL A 69 4.410 6.966 -3.821 1.00 0.00 N ATOM 1047 CA VAL A 69 4.670 5.690 -3.156 1.00 0.00 C ATOM 1048 C VAL A 69 5.880 5.783 -2.246 1.00 0.00 C ATOM 1049 O VAL A 69 5.810 5.460 -1.060 1.00 0.00 O ATOM 1050 CB VAL A 69 4.929 4.575 -4.179 1.00 0.00 C ATOM 1051 CG1 VAL A 69 4.955 3.218 -3.497 1.00 0.00 C ATOM 1052 CG2 VAL A 69 3.894 4.608 -5.287 1.00 0.00 C ATOM 0 H VAL A 69 4.389 6.911 -4.839 1.00 0.00 H new ATOM 0 HA VAL A 69 3.782 5.456 -2.569 1.00 0.00 H new ATOM 0 HB VAL A 69 5.907 4.745 -4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.140 2.441 -4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.748 3.202 -2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.996 3.036 -3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.098 3.809 -6.000 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.900 4.469 -4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.938 5.570 -5.798 1.00 0.00 H new ATOM 1062 N ASP A 70 6.988 6.229 -2.813 1.00 0.00 N ATOM 1063 CA ASP A 70 8.230 6.374 -2.059 1.00 0.00 C ATOM 1064 C ASP A 70 7.983 7.150 -0.771 1.00 0.00 C ATOM 1065 O ASP A 70 8.318 6.691 0.319 1.00 0.00 O ATOM 1066 CB ASP A 70 9.287 7.084 -2.905 1.00 0.00 C ATOM 1067 CG ASP A 70 10.667 7.030 -2.276 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.753 7.027 -1.030 1.00 0.00 O ATOM 1069 OD2 ASP A 70 11.661 6.991 -3.031 1.00 0.00 O ATOM 0 H ASP A 70 7.057 6.498 -3.794 1.00 0.00 H new ATOM 0 HA ASP A 70 8.595 5.379 -1.804 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.324 6.627 -3.894 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.996 8.125 -3.046 1.00 0.00 H new ATOM 1074 N GLU A 71 7.392 8.329 -0.913 1.00 0.00 N ATOM 1075 CA GLU A 71 7.085 9.184 0.229 1.00 0.00 C ATOM 1076 C GLU A 71 6.311 8.422 1.299 1.00 0.00 C ATOM 1077 O GLU A 71 6.699 8.407 2.467 1.00 0.00 O ATOM 1078 CB GLU A 71 6.282 10.387 -0.245 1.00 0.00 C ATOM 1079 CG GLU A 71 7.101 11.387 -1.051 1.00 0.00 C ATOM 1080 CD GLU A 71 8.371 11.835 -0.352 1.00 0.00 C ATOM 1081 OE1 GLU A 71 9.316 11.026 -0.262 1.00 0.00 O ATOM 1082 OE2 GLU A 71 8.422 13.002 0.090 1.00 0.00 O ATOM 0 H GLU A 71 7.114 8.718 -1.814 1.00 0.00 H new ATOM 0 HA GLU A 71 8.022 9.519 0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.447 10.039 -0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.856 10.893 0.621 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.362 10.941 -2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.485 12.261 -1.263 1.00 0.00 H new ATOM 1089 N ALA A 72 5.208 7.800 0.902 1.00 0.00 N ATOM 1090 CA ALA A 72 4.382 7.044 1.837 1.00 0.00 C ATOM 1091 C ALA A 72 5.210 6.043 2.618 1.00 0.00 C ATOM 1092 O ALA A 72 5.036 5.883 3.825 1.00 0.00 O ATOM 1093 CB ALA A 72 3.276 6.331 1.099 1.00 0.00 C ATOM 0 H ALA A 72 4.865 7.803 -0.058 1.00 0.00 H new ATOM 0 HA ALA A 72 3.946 7.750 2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.667 5.771 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.653 7.062 0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.708 5.645 0.371 1.00 0.00 H new ATOM 1099 N VAL A 73 6.115 5.373 1.924 1.00 0.00 N ATOM 1100 CA VAL A 73 6.972 4.392 2.568 1.00 0.00 C ATOM 1101 C VAL A 73 7.631 5.015 3.789 1.00 0.00 C ATOM 1102 O VAL A 73 7.820 4.361 4.810 1.00 0.00 O ATOM 1103 CB VAL A 73 8.053 3.865 1.611 1.00 0.00 C ATOM 1104 CG1 VAL A 73 8.809 2.712 2.259 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.425 3.431 0.292 1.00 0.00 C ATOM 0 H VAL A 73 6.275 5.489 0.923 1.00 0.00 H new ATOM 0 HA VAL A 73 6.350 3.548 2.867 1.00 0.00 H new ATOM 0 HB VAL A 73 8.762 4.666 1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.572 2.346 1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.283 3.058 3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.113 1.906 2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.202 3.060 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.698 2.640 0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.925 4.282 -0.170 1.00 0.00 H new ATOM 1115 N ALA A 74 7.951 6.299 3.678 1.00 0.00 N ATOM 1116 CA ALA A 74 8.557 7.028 4.777 1.00 0.00 C ATOM 1117 C ALA A 74 7.522 7.320 5.861 1.00 0.00 C ATOM 1118 O ALA A 74 7.654 6.869 7.000 1.00 0.00 O ATOM 1119 CB ALA A 74 9.190 8.311 4.269 1.00 0.00 C ATOM 0 H ALA A 74 7.799 6.854 2.836 1.00 0.00 H new ATOM 0 HA ALA A 74 9.340 6.411 5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.641 8.849 5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.958 8.071 3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.426 8.935 3.806 1.00 0.00 H new ATOM 1125 N VAL A 75 6.492 8.079 5.496 1.00 0.00 N ATOM 1126 CA VAL A 75 5.430 8.435 6.434 1.00 0.00 C ATOM 1127 C VAL A 75 4.706 7.197 6.970 1.00 0.00 C ATOM 1128 O VAL A 75 4.709 6.937 8.172 1.00 0.00 O ATOM 1129 CB VAL A 75 4.366 9.368 5.803 1.00 0.00 C ATOM 1130 CG1 VAL A 75 3.962 10.450 6.791 1.00 0.00 C ATOM 1131 CG2 VAL A 75 4.858 9.995 4.510 1.00 0.00 C ATOM 0 H VAL A 75 6.370 8.460 4.558 1.00 0.00 H new ATOM 0 HA VAL A 75 5.933 8.958 7.247 1.00 0.00 H new ATOM 0 HB VAL A 75 3.496 8.757 5.562 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.214 11.098 6.335 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.545 9.988 7.686 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.837 11.040 7.062 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.082 10.642 4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.753 10.584 4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.093 9.210 3.791 1.00 0.00 H new ATOM 1141 N LEU A 76 4.065 6.458 6.065 1.00 0.00 N ATOM 1142 CA LEU A 76 3.301 5.262 6.428 1.00 0.00 C ATOM 1143 C LEU A 76 4.100 4.299 7.296 1.00 0.00 C ATOM 1144 O LEU A 76 3.719 4.014 8.429 1.00 0.00 O ATOM 1145 CB LEU A 76 2.830 4.533 5.171 1.00 0.00 C ATOM 1146 CG LEU A 76 1.552 3.715 5.348 1.00 0.00 C ATOM 1147 CD1 LEU A 76 1.213 2.970 4.070 1.00 0.00 C ATOM 1148 CD2 LEU A 76 1.692 2.743 6.511 1.00 0.00 C ATOM 0 H LEU A 76 4.059 6.668 5.067 1.00 0.00 H new ATOM 0 HA LEU A 76 2.444 5.602 7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.669 5.267 4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.626 3.869 4.833 1.00 0.00 H new ATOM 0 HG LEU A 76 0.736 4.402 5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.300 2.393 4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.065 3.685 3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.031 2.296 3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.771 2.170 6.620 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.522 2.063 6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.884 3.299 7.429 1.00 0.00 H new ATOM 1160 N GLN A 77 5.201 3.784 6.757 1.00 0.00 N ATOM 1161 CA GLN A 77 6.023 2.834 7.502 1.00 0.00 C ATOM 1162 C GLN A 77 6.320 3.387 8.894 1.00 0.00 C ATOM 1163 O GLN A 77 6.495 2.634 9.852 1.00 0.00 O ATOM 1164 CB GLN A 77 7.327 2.532 6.754 1.00 0.00 C ATOM 1165 CG GLN A 77 7.877 1.138 7.015 1.00 0.00 C ATOM 1166 CD GLN A 77 9.304 0.977 6.530 1.00 0.00 C ATOM 1167 OE1 GLN A 77 10.251 1.071 7.312 1.00 0.00 O ATOM 1168 NE2 GLN A 77 9.468 0.733 5.235 1.00 0.00 N ATOM 0 H GLN A 77 5.542 4.004 5.821 1.00 0.00 H new ATOM 0 HA GLN A 77 5.471 1.900 7.601 1.00 0.00 H new ATOM 0 HB2 GLN A 77 7.157 2.651 5.684 1.00 0.00 H new ATOM 0 HB3 GLN A 77 8.078 3.268 7.041 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.834 0.928 8.084 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.243 0.402 6.520 1.00 0.00 H new ATOM 0 HE21 GLN A 77 8.656 0.663 4.622 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.406 0.616 4.853 1.00 0.00 H new ATOM 1177 N ALA A 78 6.335 4.714 8.998 1.00 0.00 N ATOM 1178 CA ALA A 78 6.562 5.388 10.268 1.00 0.00 C ATOM 1179 C ALA A 78 5.274 5.462 11.089 1.00 0.00 C ATOM 1180 O ALA A 78 5.279 5.208 12.294 1.00 0.00 O ATOM 1181 CB ALA A 78 7.113 6.784 10.027 1.00 0.00 C ATOM 0 H ALA A 78 6.191 5.345 8.210 1.00 0.00 H new ATOM 0 HA ALA A 78 7.292 4.810 10.835 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.279 7.280 10.983 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.056 6.714 9.486 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.399 7.360 9.439 1.00 0.00 H new ATOM 1187 N HIS A 79 4.175 5.830 10.429 1.00 0.00 N ATOM 1188 CA HIS A 79 2.881 5.960 11.096 1.00 0.00 C ATOM 1189 C HIS A 79 2.309 4.600 11.482 1.00 0.00 C ATOM 1190 O HIS A 79 1.603 4.478 12.483 1.00 0.00 O ATOM 1191 CB HIS A 79 1.892 6.709 10.194 1.00 0.00 C ATOM 1192 CG HIS A 79 1.465 8.035 10.746 1.00 0.00 C ATOM 1193 ND1 HIS A 79 0.531 8.167 11.753 1.00 0.00 N ATOM 1194 CD2 HIS A 79 1.846 9.295 10.425 1.00 0.00 C ATOM 1195 CE1 HIS A 79 0.357 9.446 12.028 1.00 0.00 C ATOM 1196 NE2 HIS A 79 1.144 10.151 11.236 1.00 0.00 N ATOM 0 H HIS A 79 4.156 6.043 9.432 1.00 0.00 H new ATOM 0 HA HIS A 79 3.037 6.530 12.012 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.348 6.862 9.216 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.010 6.087 10.041 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.568 9.574 9.671 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -0.314 9.847 12.773 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.218 11.168 11.228 1.00 0.00 H new ATOM 1536 N LYS B 5 6.113 13.189 4.468 1.00 0.00 N ATOM 1537 CA LYS B 5 6.289 13.023 3.029 1.00 0.00 C ATOM 1538 C LYS B 5 5.016 13.401 2.266 1.00 0.00 C ATOM 1539 O LYS B 5 4.075 13.941 2.846 1.00 0.00 O ATOM 1540 CB LYS B 5 6.728 11.602 2.695 1.00 0.00 C ATOM 1541 CG LYS B 5 7.754 11.042 3.663 1.00 0.00 C ATOM 1542 CD LYS B 5 9.173 11.296 3.187 1.00 0.00 C ATOM 1543 CE LYS B 5 9.704 12.616 3.717 1.00 0.00 C ATOM 1544 NZ LYS B 5 10.590 13.292 2.730 1.00 0.00 N ATOM 0 HA LYS B 5 7.079 13.703 2.709 1.00 0.00 H new ATOM 0 HB2 LYS B 5 5.853 10.952 2.689 1.00 0.00 H new ATOM 0 HB3 LYS B 5 7.144 11.586 1.688 1.00 0.00 H new ATOM 0 HG2 LYS B 5 7.613 11.495 4.645 1.00 0.00 H new ATOM 0 HG3 LYS B 5 7.596 9.970 3.781 1.00 0.00 H new ATOM 0 HD2 LYS B 5 9.820 10.483 3.516 1.00 0.00 H new ATOM 0 HD3 LYS B 5 9.198 11.303 2.097 1.00 0.00 H new ATOM 0 HE2 LYS B 5 8.868 13.271 3.964 1.00 0.00 H new ATOM 0 HE3 LYS B 5 10.256 12.441 4.641 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 10.932 14.190 3.129 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 11.401 12.678 2.513 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 10.057 13.482 1.858 1.00 0.00 H new ATOM 1558 N LEU B 6 5.004 13.138 0.961 1.00 0.00 N ATOM 1559 CA LEU B 6 3.855 13.474 0.115 1.00 0.00 C ATOM 1560 C LEU B 6 2.626 12.615 0.430 1.00 0.00 C ATOM 1561 O LEU B 6 1.498 13.116 0.430 1.00 0.00 O ATOM 1562 CB LEU B 6 4.231 13.337 -1.368 1.00 0.00 C ATOM 1563 CG LEU B 6 3.099 13.586 -2.373 1.00 0.00 C ATOM 1564 CD1 LEU B 6 2.321 12.304 -2.623 1.00 0.00 C ATOM 1565 CD2 LEU B 6 2.171 14.698 -1.896 1.00 0.00 C ATOM 0 H LEU B 6 5.776 12.693 0.464 1.00 0.00 H new ATOM 0 HA LEU B 6 3.588 14.509 0.330 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.041 14.034 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.622 12.333 -1.532 1.00 0.00 H new ATOM 0 HG LEU B 6 3.546 13.909 -3.313 1.00 0.00 H new ATOM 0 HD11 LEU B 6 1.521 12.497 -3.338 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.991 11.544 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.892 11.950 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU B 6 1.379 14.851 -2.629 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.730 14.419 -0.939 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.739 15.621 -1.778 1.00 0.00 H new ATOM 1577 N SER B 7 2.834 11.331 0.708 1.00 0.00 N ATOM 1578 CA SER B 7 1.728 10.440 1.027 1.00 0.00 C ATOM 1579 C SER B 7 1.782 9.999 2.489 1.00 0.00 C ATOM 1580 O SER B 7 2.745 9.370 2.920 1.00 0.00 O ATOM 1581 CB SER B 7 1.761 9.222 0.104 1.00 0.00 C ATOM 1582 OG SER B 7 1.917 9.611 -1.250 1.00 0.00 O ATOM 0 H SER B 7 3.753 10.888 0.718 1.00 0.00 H new ATOM 0 HA SER B 7 0.794 10.981 0.874 1.00 0.00 H new ATOM 0 HB2 SER B 7 2.581 8.565 0.393 1.00 0.00 H new ATOM 0 HB3 SER B 7 0.840 8.651 0.218 1.00 0.00 H new ATOM 0 HG SER B 7 2.758 9.249 -1.600 1.00 0.00 H new ATOM 1588 N VAL B 8 0.743 10.331 3.246 1.00 0.00 N ATOM 1589 CA VAL B 8 0.682 9.957 4.657 1.00 0.00 C ATOM 1590 C VAL B 8 -0.205 8.725 4.849 1.00 0.00 C ATOM 1591 O VAL B 8 -0.672 8.132 3.876 1.00 0.00 O ATOM 1592 CB VAL B 8 0.164 11.114 5.538 1.00 0.00 C ATOM 1593 CG1 VAL B 8 1.102 12.311 5.466 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.244 11.515 5.131 1.00 0.00 C ATOM 0 H VAL B 8 -0.065 10.855 2.911 1.00 0.00 H new ATOM 0 HA VAL B 8 1.699 9.724 4.971 1.00 0.00 H new ATOM 0 HB VAL B 8 0.135 10.764 6.570 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.716 13.114 6.095 1.00 0.00 H new ATOM 0 HG12 VAL B 8 2.092 12.019 5.817 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.170 12.658 4.435 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -1.588 12.332 5.766 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.243 11.840 4.090 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -1.912 10.662 5.244 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.423 8.335 6.102 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.239 7.161 6.416 1.00 0.00 C ATOM 1606 C ASN B 9 -2.740 7.432 6.244 1.00 0.00 C ATOM 1607 O ASN B 9 -3.528 7.206 7.165 1.00 0.00 O ATOM 1608 CB ASN B 9 -0.953 6.705 7.849 1.00 0.00 C ATOM 1609 CG ASN B 9 -1.316 5.255 8.074 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -0.706 4.354 7.500 1.00 0.00 O ATOM 1611 ND2 ASN B 9 -2.319 5.021 8.910 1.00 0.00 N ATOM 0 H ASN B 9 -0.046 8.815 6.919 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.969 6.374 5.711 1.00 0.00 H new ATOM 0 HB2 ASN B 9 0.104 6.851 8.070 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -1.513 7.329 8.545 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -2.613 4.063 9.099 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -2.797 5.800 9.364 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.127 7.934 5.071 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.524 8.257 4.789 1.00 0.00 C ATOM 1620 C ALA B 10 -5.458 7.072 5.038 1.00 0.00 C ATOM 1621 O ALA B 10 -5.016 6.002 5.454 1.00 0.00 O ATOM 1622 CB ALA B 10 -4.652 8.740 3.356 1.00 0.00 C ATOM 0 H ALA B 10 -2.489 8.126 4.299 1.00 0.00 H new ATOM 0 HA ALA B 10 -4.828 9.047 5.475 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -5.694 8.981 3.145 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.038 9.630 3.216 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -4.316 7.957 2.677 1.00 0.00 H new ATOM 1628 N PRO B 11 -6.775 7.256 4.779 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.782 6.201 4.969 1.00 0.00 C ATOM 1630 C PRO B 11 -7.378 4.891 4.302 1.00 0.00 C ATOM 1631 O PRO B 11 -6.252 4.752 3.837 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.032 6.781 4.305 1.00 0.00 C ATOM 1633 CG PRO B 11 -8.862 8.257 4.412 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.385 8.509 4.283 1.00 0.00 C ATOM 0 HA PRO B 11 -7.921 5.952 6.021 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.111 6.465 3.265 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -9.939 6.449 4.809 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -9.417 8.772 3.628 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.240 8.626 5.365 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.101 8.712 3.250 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.072 9.369 4.874 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.308 3.942 4.223 1.00 0.00 N ATOM 1643 CA GLU B 12 -8.049 2.664 3.567 1.00 0.00 C ATOM 1644 C GLU B 12 -8.257 2.768 2.056 1.00 0.00 C ATOM 1645 O GLU B 12 -8.499 3.851 1.523 1.00 0.00 O ATOM 1646 CB GLU B 12 -8.966 1.584 4.141 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.959 1.525 5.658 1.00 0.00 C ATOM 1648 CD GLU B 12 -7.719 0.852 6.205 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -6.603 1.328 5.906 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -7.862 -0.154 6.931 1.00 0.00 O ATOM 0 H GLU B 12 -9.249 4.035 4.606 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.009 2.394 3.753 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.985 1.764 3.797 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -8.663 0.614 3.746 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -9.026 2.537 6.058 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -9.842 0.987 6.002 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.191 1.623 1.383 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.404 1.581 -0.062 1.00 0.00 C ATOM 1659 C PHE B 13 -9.798 1.043 -0.364 1.00 0.00 C ATOM 1660 O PHE B 13 -10.116 -0.110 -0.070 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.336 0.746 -0.775 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.350 -0.714 -0.436 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -6.713 -1.190 0.701 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.985 -1.615 -1.269 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -6.713 -2.542 0.993 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.989 -2.963 -0.980 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.353 -3.428 0.147 1.00 0.00 C ATOM 0 H PHE B 13 -7.993 0.718 1.810 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.320 2.599 -0.443 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.468 0.856 -1.851 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.354 1.152 -0.531 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -6.213 -0.499 1.364 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -8.485 -1.259 -2.158 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.214 -2.904 1.880 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -8.492 -3.655 -1.639 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.354 -4.485 0.371 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.620 1.902 -0.968 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.984 1.549 -1.344 1.00 0.00 C ATOM 1679 C TYR B 14 -12.186 1.655 -2.857 1.00 0.00 C ATOM 1680 O TYR B 14 -11.323 2.177 -3.564 1.00 0.00 O ATOM 1681 CB TYR B 14 -12.982 2.435 -0.597 1.00 0.00 C ATOM 1682 CG TYR B 14 -13.401 1.847 0.730 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -14.033 0.613 0.790 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -13.154 2.516 1.921 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -14.411 0.062 1.999 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -13.526 1.972 3.135 1.00 0.00 C ATOM 1687 CZ TYR B 14 -14.156 0.745 3.168 1.00 0.00 C ATOM 1688 OH TYR B 14 -14.529 0.198 4.375 1.00 0.00 O ATOM 0 H TYR B 14 -10.358 2.858 -1.208 1.00 0.00 H new ATOM 0 HA TYR B 14 -12.160 0.511 -1.061 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.538 3.416 -0.431 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.865 2.586 -1.218 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -14.233 0.074 -0.124 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -12.663 3.478 1.898 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -14.904 -0.899 2.028 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -13.325 2.504 4.053 1.00 0.00 H new ATOM 0 HH TYR B 14 -14.276 0.805 5.101 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.334 1.180 -3.381 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.623 1.251 -4.816 1.00 0.00 C ATOM 1700 C PRO B 15 -13.744 2.682 -5.314 1.00 0.00 C ATOM 1701 O PRO B 15 -14.815 3.295 -5.263 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.956 0.535 -4.968 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.570 0.555 -3.608 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.432 0.547 -2.628 1.00 0.00 C ATOM 0 HA PRO B 15 -12.819 0.804 -5.400 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.593 1.039 -5.695 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.816 -0.487 -5.322 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -16.190 1.441 -3.475 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -16.215 -0.311 -3.461 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.675 1.106 -1.724 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -14.176 -0.466 -2.317 1.00 0.00 H new ATOM 1712 N SER B 16 -12.644 3.198 -5.817 1.00 0.00 N ATOM 1713 CA SER B 16 -12.608 4.549 -6.341 1.00 0.00 C ATOM 1714 C SER B 16 -13.662 4.735 -7.425 1.00 0.00 C ATOM 1715 O SER B 16 -14.538 5.592 -7.313 1.00 0.00 O ATOM 1716 CB SER B 16 -11.226 4.838 -6.896 1.00 0.00 C ATOM 1717 OG SER B 16 -10.425 5.521 -5.944 1.00 0.00 O ATOM 0 H SER B 16 -11.756 2.700 -5.875 1.00 0.00 H new ATOM 0 HA SER B 16 -12.827 5.248 -5.534 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.742 3.903 -7.179 1.00 0.00 H new ATOM 0 HB3 SER B 16 -11.313 5.439 -7.801 1.00 0.00 H new ATOM 0 HG SER B 16 -10.067 4.878 -5.296 1.00 0.00 H new ATOM 1723 N GLY B 17 -13.580 3.915 -8.467 1.00 0.00 N ATOM 1724 CA GLY B 17 -14.538 3.991 -9.551 1.00 0.00 C ATOM 1725 C GLY B 17 -15.785 3.181 -9.268 1.00 0.00 C ATOM 1726 O GLY B 17 -16.196 2.353 -10.083 1.00 0.00 O ATOM 0 H GLY B 17 -12.864 3.197 -8.579 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.813 5.032 -9.718 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -14.074 3.632 -10.470 1.00 0.00 H new ATOM 1730 N TYR B 18 -16.398 3.425 -8.117 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.610 2.718 -7.740 1.00 0.00 C ATOM 1732 C TYR B 18 -18.744 3.047 -8.703 1.00 0.00 C ATOM 1733 O TYR B 18 -19.179 4.195 -8.795 1.00 0.00 O ATOM 1734 CB TYR B 18 -18.012 3.093 -6.315 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.508 1.921 -5.502 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.876 0.687 -5.573 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.609 2.047 -4.667 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.326 -0.390 -4.835 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -20.066 0.974 -3.924 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.421 -0.241 -4.012 1.00 0.00 C ATOM 1741 OH TYR B 18 -19.873 -1.310 -3.275 1.00 0.00 O ATOM 0 H TYR B 18 -16.075 4.107 -7.431 1.00 0.00 H new ATOM 0 HA TYR B 18 -17.414 1.647 -7.787 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -17.156 3.539 -5.810 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.791 3.854 -6.354 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -17.017 0.567 -6.217 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -20.117 2.998 -4.596 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.823 -1.343 -4.903 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -20.924 1.087 -3.278 1.00 0.00 H new ATOM 0 HH TYR B 18 -20.652 -1.037 -2.747 1.00 0.00 H new