USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 771 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 54 SER OG : rot -128:sc= 0.462 USER MOD Set 1.2: A 61 CYS SG : rot -100:sc= -0.289 USER MOD Set 1.3: A 63 HIS : no HE2:sc= -0.0385 K(o=0.14,f=-7.5!) USER MOD Set 2.1: A 45 SER OG : rot -110:sc= 0.581 USER MOD Set 2.2: A 48 HIS : no HD1:sc= -2.08! X(o=-1!,f=-1.1) USER MOD Set 2.3: A 52 THR OG1 : rot 65:sc= 0.487 USER MOD Set 3.1: A 20 HIS : no HE2:sc= -2.97 K(o=-3.6,f=-4.2!) USER MOD Set 3.2: A 109 CYS SG : rot 160:sc= -0.654 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0301 USER MOD Single : A 30 ASN : amide:sc= 0.488 X(o=0.49,f=-0.0021) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc=-0.00969 X(o=-0.0097,f=-0.43) USER MOD Single : A 39 SER OG : rot 89:sc= 0.16 USER MOD Single : A 46 HIS : no HE2:sc= -3.96! C(o=-4!,f=-7.6!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 79:sc= 0.378 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.0541 K(o=-0.054,f=-1.7!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 61:sc= 1.18 USER MOD Single : A 62 CYS SG : rot -145:sc= 0.335 USER MOD Single : A 65 MET CE :methyl -147:sc= -0.176 (180deg=-2.09) USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= -0.844 (180deg=-1.8!) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 75 MET CE :methyl 174:sc= 0 (180deg=-0.104) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -7.54! C(o=-7.5!,f=-7.3!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.013 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HE2:sc= -2.01 K(o=-2,f=-3.1!) USER MOD Single : A 94 GLN : amide:sc= -0.712 K(o=-0.71,f=-3.4!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.00099) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.95 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 15 -7.979 2.382 -16.208 1.00 0.00 N ATOM 156 CA VAL A 15 -7.397 2.563 -14.883 1.00 0.00 C ATOM 157 C VAL A 15 -6.945 4.004 -14.674 1.00 0.00 C ATOM 158 O VAL A 15 -6.359 4.631 -15.557 1.00 0.00 O ATOM 159 CB VAL A 15 -6.197 1.622 -14.663 1.00 0.00 C ATOM 160 CG1 VAL A 15 -5.126 1.869 -15.715 1.00 0.00 C ATOM 161 CG2 VAL A 15 -5.632 1.799 -13.263 1.00 0.00 C ATOM 0 HA VAL A 15 -8.175 2.321 -14.159 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.541 0.592 -14.763 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.286 1.196 -15.544 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.541 1.687 -16.706 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.783 2.901 -15.649 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.785 1.127 -13.125 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.303 2.830 -13.131 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.403 1.568 -12.528 1.00 0.00 H new ATOM 171 N PRO A 16 -7.221 4.542 -13.477 1.00 0.00 N ATOM 172 CA PRO A 16 -6.850 5.915 -13.123 1.00 0.00 C ATOM 173 C PRO A 16 -5.344 6.086 -12.961 1.00 0.00 C ATOM 174 O PRO A 16 -4.593 5.110 -12.986 1.00 0.00 O ATOM 175 CB PRO A 16 -7.560 6.141 -11.786 1.00 0.00 C ATOM 176 CG PRO A 16 -7.722 4.777 -11.208 1.00 0.00 C ATOM 177 CD PRO A 16 -7.917 3.852 -12.378 1.00 0.00 C ATOM 0 HA PRO A 16 -7.135 6.626 -13.898 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.972 6.782 -11.129 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.525 6.628 -11.927 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.844 4.492 -10.628 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.577 4.738 -10.533 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.490 2.867 -12.187 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.973 3.704 -12.602 1.00 0.00 H new ATOM 185 N GLU A 17 -4.907 7.331 -12.795 1.00 0.00 N ATOM 186 CA GLU A 17 -3.489 7.627 -12.629 1.00 0.00 C ATOM 187 C GLU A 17 -3.053 7.408 -11.183 1.00 0.00 C ATOM 188 O GLU A 17 -1.971 6.882 -10.923 1.00 0.00 O ATOM 189 CB GLU A 17 -3.193 9.068 -13.051 1.00 0.00 C ATOM 190 CG GLU A 17 -4.268 10.057 -12.631 1.00 0.00 C ATOM 191 CD GLU A 17 -5.360 10.208 -13.673 1.00 0.00 C ATOM 192 OE1 GLU A 17 -5.450 9.343 -14.569 1.00 0.00 O ATOM 193 OE2 GLU A 17 -6.124 11.192 -13.592 1.00 0.00 O ATOM 0 H GLU A 17 -5.515 8.150 -12.772 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.925 6.947 -13.267 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.240 9.375 -12.621 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.080 9.105 -14.135 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.711 9.729 -11.691 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.810 11.029 -12.446 1.00 0.00 H new ATOM 200 N TRP A 18 -3.903 7.816 -10.247 1.00 0.00 N ATOM 201 CA TRP A 18 -3.605 7.665 -8.828 1.00 0.00 C ATOM 202 C TRP A 18 -3.354 6.203 -8.475 1.00 0.00 C ATOM 203 O TRP A 18 -2.818 5.894 -7.411 1.00 0.00 O ATOM 204 CB TRP A 18 -4.756 8.215 -7.983 1.00 0.00 C ATOM 205 CG TRP A 18 -6.082 7.596 -8.311 1.00 0.00 C ATOM 206 CD1 TRP A 18 -7.051 8.115 -9.121 1.00 0.00 C ATOM 207 CD2 TRP A 18 -6.583 6.342 -7.834 1.00 0.00 C ATOM 208 NE1 TRP A 18 -8.124 7.260 -9.176 1.00 0.00 N ATOM 209 CE2 TRP A 18 -7.861 6.164 -8.397 1.00 0.00 C ATOM 210 CE3 TRP A 18 -6.074 5.352 -6.990 1.00 0.00 C ATOM 211 CZ2 TRP A 18 -8.638 5.037 -8.139 1.00 0.00 C ATOM 212 CZ3 TRP A 18 -6.846 4.234 -6.735 1.00 0.00 C ATOM 213 CH2 TRP A 18 -8.115 4.083 -7.308 1.00 0.00 C ATOM 0 H TRP A 18 -4.803 8.253 -10.445 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.700 8.232 -8.611 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.536 8.048 -6.929 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.821 9.293 -8.128 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.983 9.059 -9.642 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -8.979 7.416 -9.710 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -5.096 5.458 -6.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.618 4.920 -8.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.464 3.463 -6.082 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -8.692 3.197 -7.090 1.00 0.00 H new ATOM 224 N PHE A 19 -3.742 5.307 -9.377 1.00 0.00 N ATOM 225 CA PHE A 19 -3.559 3.877 -9.160 1.00 0.00 C ATOM 226 C PHE A 19 -2.271 3.388 -9.816 1.00 0.00 C ATOM 227 O PHE A 19 -2.268 2.979 -10.978 1.00 0.00 O ATOM 228 CB PHE A 19 -4.754 3.098 -9.715 1.00 0.00 C ATOM 229 CG PHE A 19 -4.750 1.645 -9.337 1.00 0.00 C ATOM 230 CD1 PHE A 19 -5.013 1.253 -8.035 1.00 0.00 C ATOM 231 CD2 PHE A 19 -4.483 0.670 -10.285 1.00 0.00 C ATOM 232 CE1 PHE A 19 -5.008 -0.085 -7.684 1.00 0.00 C ATOM 233 CE2 PHE A 19 -4.478 -0.669 -9.941 1.00 0.00 C ATOM 234 CZ PHE A 19 -4.742 -1.046 -8.639 1.00 0.00 C ATOM 0 H PHE A 19 -4.185 5.546 -10.264 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.488 3.704 -8.086 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.675 3.556 -9.355 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.760 3.182 -10.802 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.224 2.001 -7.285 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.276 0.960 -11.305 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.212 -0.377 -6.665 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.268 -1.419 -10.689 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.740 -2.091 -8.368 1.00 0.00 H new ATOM 244 N HIS A 20 -1.176 3.434 -9.063 1.00 0.00 N ATOM 245 CA HIS A 20 0.120 2.997 -9.571 1.00 0.00 C ATOM 246 C HIS A 20 0.301 1.494 -9.374 1.00 0.00 C ATOM 247 O HIS A 20 1.385 1.030 -9.024 1.00 0.00 O ATOM 248 CB HIS A 20 1.247 3.753 -8.870 1.00 0.00 C ATOM 249 CG HIS A 20 1.145 5.242 -9.006 1.00 0.00 C ATOM 250 ND1 HIS A 20 2.064 5.999 -9.700 1.00 0.00 N ATOM 251 CD2 HIS A 20 0.222 6.113 -8.534 1.00 0.00 C ATOM 252 CE1 HIS A 20 1.713 7.272 -9.647 1.00 0.00 C ATOM 253 NE2 HIS A 20 0.598 7.367 -8.946 1.00 0.00 N ATOM 0 H HIS A 20 -1.160 3.769 -8.100 1.00 0.00 H new ATOM 0 HA HIS A 20 0.156 3.214 -10.639 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.245 3.492 -7.812 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.203 3.424 -9.278 1.00 0.00 H new ATOM 0 HD1 HIS A 20 2.887 5.634 -10.180 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.648 5.867 -7.943 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.247 8.094 -10.100 1.00 0.00 H new ATOM 261 N GLY A 21 -0.770 0.739 -9.602 1.00 0.00 N ATOM 262 CA GLY A 21 -0.708 -0.703 -9.443 1.00 0.00 C ATOM 263 C GLY A 21 0.116 -1.119 -8.241 1.00 0.00 C ATOM 264 O GLY A 21 -0.353 -1.049 -7.105 1.00 0.00 O ATOM 0 H GLY A 21 -1.678 1.100 -9.894 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.719 -1.098 -9.341 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.282 -1.147 -10.343 1.00 0.00 H new ATOM 268 N ALA A 22 1.345 -1.556 -8.490 1.00 0.00 N ATOM 269 CA ALA A 22 2.236 -1.986 -7.419 1.00 0.00 C ATOM 270 C ALA A 22 3.612 -1.343 -7.559 1.00 0.00 C ATOM 271 O ALA A 22 4.499 -1.892 -8.213 1.00 0.00 O ATOM 272 CB ALA A 22 2.357 -3.502 -7.410 1.00 0.00 C ATOM 0 H ALA A 22 1.747 -1.622 -9.425 1.00 0.00 H new ATOM 0 HA ALA A 22 1.808 -1.662 -6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.025 -3.809 -6.605 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.373 -3.945 -7.253 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.759 -3.841 -8.365 1.00 0.00 H new ATOM 278 N ILE A 23 3.782 -0.179 -6.942 1.00 0.00 N ATOM 279 CA ILE A 23 5.049 0.537 -6.998 1.00 0.00 C ATOM 280 C ILE A 23 5.864 0.312 -5.728 1.00 0.00 C ATOM 281 O ILE A 23 5.390 -0.307 -4.776 1.00 0.00 O ATOM 282 CB ILE A 23 4.835 2.049 -7.196 1.00 0.00 C ATOM 283 CG1 ILE A 23 3.835 2.584 -6.167 1.00 0.00 C ATOM 284 CG2 ILE A 23 4.351 2.335 -8.610 1.00 0.00 C ATOM 285 CD1 ILE A 23 3.815 4.093 -6.071 1.00 0.00 C ATOM 0 H ILE A 23 3.057 0.288 -6.397 1.00 0.00 H new ATOM 0 HA ILE A 23 5.596 0.142 -7.854 1.00 0.00 H new ATOM 0 HB ILE A 23 5.788 2.558 -7.049 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.837 2.231 -6.425 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.076 2.169 -5.188 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.204 3.408 -8.734 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.094 1.985 -9.327 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.408 1.817 -8.783 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.084 4.400 -5.323 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.803 4.452 -5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.544 4.516 -7.038 1.00 0.00 H new ATOM 297 N SER A 24 7.091 0.824 -5.720 1.00 0.00 N ATOM 298 CA SER A 24 7.973 0.678 -4.569 1.00 0.00 C ATOM 299 C SER A 24 7.994 1.956 -3.735 1.00 0.00 C ATOM 300 O SER A 24 8.010 3.061 -4.276 1.00 0.00 O ATOM 301 CB SER A 24 9.390 0.329 -5.025 1.00 0.00 C ATOM 302 OG SER A 24 9.705 0.973 -6.247 1.00 0.00 O ATOM 0 H SER A 24 7.496 1.344 -6.498 1.00 0.00 H new ATOM 0 HA SER A 24 7.590 -0.133 -3.950 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.106 0.626 -4.259 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.481 -0.751 -5.145 1.00 0.00 H new ATOM 0 HG SER A 24 10.617 0.735 -6.517 1.00 0.00 H new ATOM 308 N ARG A 25 7.995 1.795 -2.416 1.00 0.00 N ATOM 309 CA ARG A 25 8.014 2.935 -1.507 1.00 0.00 C ATOM 310 C ARG A 25 8.839 4.079 -2.087 1.00 0.00 C ATOM 311 O ARG A 25 8.484 5.248 -1.943 1.00 0.00 O ATOM 312 CB ARG A 25 8.581 2.521 -0.148 1.00 0.00 C ATOM 313 CG ARG A 25 8.248 3.493 0.972 1.00 0.00 C ATOM 314 CD ARG A 25 9.330 3.504 2.041 1.00 0.00 C ATOM 315 NE ARG A 25 9.293 2.302 2.869 1.00 0.00 N ATOM 316 CZ ARG A 25 10.269 1.952 3.700 1.00 0.00 C ATOM 317 NH1 ARG A 25 11.352 2.709 3.813 1.00 0.00 N ATOM 318 NH2 ARG A 25 10.162 0.843 4.421 1.00 0.00 N ATOM 0 H ARG A 25 7.983 0.886 -1.953 1.00 0.00 H new ATOM 0 HA ARG A 25 6.988 3.280 -1.375 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.196 1.535 0.112 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.664 2.429 -0.228 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.130 4.496 0.562 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.294 3.219 1.422 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.308 3.587 1.566 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.206 4.383 2.673 1.00 0.00 H new ATOM 0 HE ARG A 25 8.473 1.698 2.806 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.437 3.563 3.261 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.099 2.438 4.452 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.330 0.259 4.337 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.912 0.575 5.059 1.00 0.00 H new ATOM 332 N GLU A 26 9.942 3.733 -2.744 1.00 0.00 N ATOM 333 CA GLU A 26 10.818 4.733 -3.344 1.00 0.00 C ATOM 334 C GLU A 26 10.112 5.458 -4.486 1.00 0.00 C ATOM 335 O GLU A 26 10.070 6.689 -4.522 1.00 0.00 O ATOM 336 CB GLU A 26 12.101 4.077 -3.858 1.00 0.00 C ATOM 337 CG GLU A 26 12.844 3.280 -2.799 1.00 0.00 C ATOM 338 CD GLU A 26 13.848 4.120 -2.034 1.00 0.00 C ATOM 339 OE1 GLU A 26 13.510 5.266 -1.671 1.00 0.00 O ATOM 340 OE2 GLU A 26 14.973 3.631 -1.800 1.00 0.00 O ATOM 0 H GLU A 26 10.250 2.769 -2.874 1.00 0.00 H new ATOM 0 HA GLU A 26 11.074 5.463 -2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.854 3.418 -4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.762 4.850 -4.250 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.125 2.854 -2.100 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.361 2.446 -3.273 1.00 0.00 H new ATOM 347 N ASP A 27 9.562 4.689 -5.418 1.00 0.00 N ATOM 348 CA ASP A 27 8.857 5.257 -6.561 1.00 0.00 C ATOM 349 C ASP A 27 7.713 6.156 -6.103 1.00 0.00 C ATOM 350 O ASP A 27 7.451 7.197 -6.704 1.00 0.00 O ATOM 351 CB ASP A 27 8.318 4.143 -7.461 1.00 0.00 C ATOM 352 CG ASP A 27 9.343 3.666 -8.470 1.00 0.00 C ATOM 353 OD1 ASP A 27 10.464 3.305 -8.052 1.00 0.00 O ATOM 354 OD2 ASP A 27 9.027 3.654 -9.677 1.00 0.00 O ATOM 0 H ASP A 27 9.591 3.669 -5.405 1.00 0.00 H new ATOM 0 HA ASP A 27 9.565 5.861 -7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.002 3.302 -6.843 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.434 4.502 -7.988 1.00 0.00 H new ATOM 359 N ALA A 28 7.035 5.745 -5.036 1.00 0.00 N ATOM 360 CA ALA A 28 5.920 6.514 -4.497 1.00 0.00 C ATOM 361 C ALA A 28 6.376 7.895 -4.041 1.00 0.00 C ATOM 362 O ALA A 28 5.782 8.908 -4.410 1.00 0.00 O ATOM 363 CB ALA A 28 5.270 5.763 -3.345 1.00 0.00 C ATOM 0 H ALA A 28 7.238 4.884 -4.528 1.00 0.00 H new ATOM 0 HA ALA A 28 5.184 6.647 -5.290 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.439 6.349 -2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.900 4.801 -3.700 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.004 5.600 -2.556 1.00 0.00 H new ATOM 369 N GLU A 29 7.433 7.928 -3.235 1.00 0.00 N ATOM 370 CA GLU A 29 7.966 9.187 -2.727 1.00 0.00 C ATOM 371 C GLU A 29 8.565 10.020 -3.857 1.00 0.00 C ATOM 372 O GLU A 29 8.458 11.245 -3.862 1.00 0.00 O ATOM 373 CB GLU A 29 9.028 8.922 -1.657 1.00 0.00 C ATOM 374 CG GLU A 29 8.447 8.574 -0.297 1.00 0.00 C ATOM 375 CD GLU A 29 9.413 8.855 0.838 1.00 0.00 C ATOM 376 OE1 GLU A 29 10.329 9.681 0.646 1.00 0.00 O ATOM 377 OE2 GLU A 29 9.251 8.249 1.918 1.00 0.00 O ATOM 0 H GLU A 29 7.936 7.099 -2.920 1.00 0.00 H new ATOM 0 HA GLU A 29 7.143 9.747 -2.282 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.670 8.106 -1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.660 9.804 -1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.532 9.145 -0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.172 7.519 -0.282 1.00 0.00 H new ATOM 384 N ASN A 30 9.195 9.345 -4.812 1.00 0.00 N ATOM 385 CA ASN A 30 9.811 10.021 -5.948 1.00 0.00 C ATOM 386 C ASN A 30 8.754 10.485 -6.944 1.00 0.00 C ATOM 387 O ASN A 30 8.981 11.414 -7.722 1.00 0.00 O ATOM 388 CB ASN A 30 10.810 9.093 -6.641 1.00 0.00 C ATOM 389 CG ASN A 30 12.180 9.129 -5.992 1.00 0.00 C ATOM 390 OD1 ASN A 30 13.136 9.653 -6.563 1.00 0.00 O ATOM 391 ND2 ASN A 30 12.280 8.569 -4.792 1.00 0.00 N ATOM 0 H ASN A 30 9.293 8.330 -4.822 1.00 0.00 H new ATOM 0 HA ASN A 30 10.340 10.897 -5.573 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.428 8.072 -6.620 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.900 9.378 -7.689 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.177 8.562 -4.306 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.460 8.146 -4.357 1.00 0.00 H new ATOM 398 N LEU A 31 7.596 9.833 -6.917 1.00 0.00 N ATOM 399 CA LEU A 31 6.502 10.178 -7.818 1.00 0.00 C ATOM 400 C LEU A 31 5.803 11.455 -7.361 1.00 0.00 C ATOM 401 O LEU A 31 5.256 12.201 -8.174 1.00 0.00 O ATOM 402 CB LEU A 31 5.494 9.029 -7.890 1.00 0.00 C ATOM 403 CG LEU A 31 5.771 7.960 -8.948 1.00 0.00 C ATOM 404 CD1 LEU A 31 5.095 6.651 -8.573 1.00 0.00 C ATOM 405 CD2 LEU A 31 5.302 8.432 -10.317 1.00 0.00 C ATOM 0 H LEU A 31 7.391 9.063 -6.281 1.00 0.00 H new ATOM 0 HA LEU A 31 6.920 10.350 -8.810 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.455 8.545 -6.914 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.506 9.450 -8.077 1.00 0.00 H new ATOM 0 HG LEU A 31 6.847 7.790 -8.993 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.303 5.902 -9.337 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.478 6.306 -7.613 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.018 6.805 -8.500 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.507 7.659 -11.058 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.231 8.630 -10.286 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.832 9.345 -10.589 1.00 0.00 H new ATOM 417 N LEU A 32 5.826 11.701 -6.057 1.00 0.00 N ATOM 418 CA LEU A 32 5.197 12.890 -5.490 1.00 0.00 C ATOM 419 C LEU A 32 6.214 14.011 -5.308 1.00 0.00 C ATOM 420 O LEU A 32 5.869 15.191 -5.361 1.00 0.00 O ATOM 421 CB LEU A 32 4.543 12.555 -4.149 1.00 0.00 C ATOM 422 CG LEU A 32 3.484 11.452 -4.175 1.00 0.00 C ATOM 423 CD1 LEU A 32 3.134 11.015 -2.760 1.00 0.00 C ATOM 424 CD2 LEU A 32 2.239 11.924 -4.913 1.00 0.00 C ATOM 0 H LEU A 32 6.273 11.093 -5.371 1.00 0.00 H new ATOM 0 HA LEU A 32 4.430 13.231 -6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.326 12.263 -3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.085 13.462 -3.755 1.00 0.00 H new ATOM 0 HG LEU A 32 3.894 10.594 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.379 10.230 -2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.028 10.635 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.744 11.866 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.497 11.126 -4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.827 12.798 -4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.501 12.186 -5.938 1.00 0.00 H new ATOM 436 N GLU A 33 7.471 13.633 -5.095 1.00 0.00 N ATOM 437 CA GLU A 33 8.539 14.607 -4.906 1.00 0.00 C ATOM 438 C GLU A 33 8.525 15.653 -6.017 1.00 0.00 C ATOM 439 O GLU A 33 8.594 16.853 -5.756 1.00 0.00 O ATOM 440 CB GLU A 33 9.899 13.906 -4.868 1.00 0.00 C ATOM 441 CG GLU A 33 10.559 13.785 -6.230 1.00 0.00 C ATOM 442 CD GLU A 33 11.907 13.092 -6.166 1.00 0.00 C ATOM 443 OE1 GLU A 33 12.602 13.238 -5.139 1.00 0.00 O ATOM 444 OE2 GLU A 33 12.265 12.401 -7.144 1.00 0.00 O ATOM 0 H GLU A 33 7.774 12.660 -5.049 1.00 0.00 H new ATOM 0 HA GLU A 33 8.371 15.111 -3.954 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.563 14.455 -4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.773 12.909 -4.445 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.902 13.231 -6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.686 14.780 -6.658 1.00 0.00 H new ATOM 451 N SER A 34 8.436 15.187 -7.259 1.00 0.00 N ATOM 452 CA SER A 34 8.417 16.080 -8.411 1.00 0.00 C ATOM 453 C SER A 34 6.999 16.558 -8.705 1.00 0.00 C ATOM 454 O SER A 34 6.692 16.976 -9.821 1.00 0.00 O ATOM 455 CB SER A 34 8.994 15.374 -9.640 1.00 0.00 C ATOM 456 OG SER A 34 10.384 15.143 -9.490 1.00 0.00 O ATOM 0 H SER A 34 8.376 14.196 -7.493 1.00 0.00 H new ATOM 0 HA SER A 34 9.033 16.948 -8.176 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.479 14.426 -9.794 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.817 15.980 -10.528 1.00 0.00 H new ATOM 0 HG SER A 34 10.728 14.689 -10.288 1.00 0.00 H new ATOM 462 N GLN A 35 6.138 16.492 -7.694 1.00 0.00 N ATOM 463 CA GLN A 35 4.751 16.917 -7.844 1.00 0.00 C ATOM 464 C GLN A 35 4.400 17.998 -6.827 1.00 0.00 C ATOM 465 O GLN A 35 4.989 18.086 -5.749 1.00 0.00 O ATOM 466 CB GLN A 35 3.809 15.723 -7.681 1.00 0.00 C ATOM 467 CG GLN A 35 4.041 14.621 -8.702 1.00 0.00 C ATOM 468 CD GLN A 35 3.590 15.012 -10.096 1.00 0.00 C ATOM 469 OE1 GLN A 35 2.527 15.608 -10.273 1.00 0.00 O ATOM 470 NE2 GLN A 35 4.399 14.679 -11.095 1.00 0.00 N ATOM 0 H GLN A 35 6.376 16.149 -6.763 1.00 0.00 H new ATOM 0 HA GLN A 35 4.631 17.332 -8.845 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.929 15.310 -6.679 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.779 16.070 -7.761 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.101 14.369 -8.725 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.507 13.724 -8.390 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.271 14.185 -10.903 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.149 14.917 -12.055 1.00 0.00 H new ATOM 479 N PRO A 36 3.419 18.844 -7.176 1.00 0.00 N ATOM 480 CA PRO A 36 2.968 19.935 -6.307 1.00 0.00 C ATOM 481 C PRO A 36 2.226 19.427 -5.075 1.00 0.00 C ATOM 482 O PRO A 36 1.580 18.379 -5.116 1.00 0.00 O ATOM 483 CB PRO A 36 2.025 20.737 -7.207 1.00 0.00 C ATOM 484 CG PRO A 36 1.538 19.757 -8.215 1.00 0.00 C ATOM 485 CD PRO A 36 2.674 18.799 -8.445 1.00 0.00 C ATOM 0 HA PRO A 36 3.803 20.516 -5.915 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.199 21.161 -6.636 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.544 21.569 -7.683 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.653 19.233 -7.854 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.256 20.258 -9.141 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.314 17.794 -8.664 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.295 19.106 -9.287 1.00 0.00 H new ATOM 493 N LEU A 37 2.322 20.175 -3.982 1.00 0.00 N ATOM 494 CA LEU A 37 1.659 19.800 -2.738 1.00 0.00 C ATOM 495 C LEU A 37 0.208 19.404 -2.993 1.00 0.00 C ATOM 496 O LEU A 37 -0.532 20.118 -3.666 1.00 0.00 O ATOM 497 CB LEU A 37 1.716 20.956 -1.738 1.00 0.00 C ATOM 498 CG LEU A 37 1.743 20.565 -0.260 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.470 19.825 0.120 1.00 0.00 C ATOM 500 CD2 LEU A 37 2.968 19.714 0.044 1.00 0.00 C ATOM 0 H LEU A 37 2.852 21.045 -3.932 1.00 0.00 H new ATOM 0 HA LEU A 37 2.183 18.940 -2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.604 21.551 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.852 21.599 -1.907 1.00 0.00 H new ATOM 0 HG LEU A 37 1.801 21.476 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.507 19.555 1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.392 20.468 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.381 18.921 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.971 19.445 1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.941 18.808 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.871 20.279 -0.189 1.00 0.00 H new ATOM 512 N GLY A 38 -0.193 18.261 -2.445 1.00 0.00 N ATOM 513 CA GLY A 38 -1.554 17.790 -2.622 1.00 0.00 C ATOM 514 C GLY A 38 -1.633 16.564 -3.510 1.00 0.00 C ATOM 515 O GLY A 38 -2.553 15.755 -3.383 1.00 0.00 O ATOM 0 H GLY A 38 0.401 17.653 -1.881 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.984 17.557 -1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.158 18.588 -3.055 1.00 0.00 H new ATOM 519 N SER A 39 -0.667 16.424 -4.412 1.00 0.00 N ATOM 520 CA SER A 39 -0.634 15.291 -5.328 1.00 0.00 C ATOM 521 C SER A 39 -0.741 13.973 -4.565 1.00 0.00 C ATOM 522 O SER A 39 0.210 13.541 -3.914 1.00 0.00 O ATOM 523 CB SER A 39 0.654 15.312 -6.153 1.00 0.00 C ATOM 524 OG SER A 39 0.907 16.607 -6.671 1.00 0.00 O ATOM 0 H SER A 39 0.104 17.082 -4.528 1.00 0.00 H new ATOM 0 HA SER A 39 -1.488 15.373 -6.000 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.492 14.995 -5.533 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.576 14.598 -6.973 1.00 0.00 H new ATOM 0 HG SER A 39 1.427 17.124 -6.021 1.00 0.00 H new ATOM 530 N PHE A 40 -1.907 13.340 -4.653 1.00 0.00 N ATOM 531 CA PHE A 40 -2.140 12.072 -3.970 1.00 0.00 C ATOM 532 C PHE A 40 -1.927 10.897 -4.920 1.00 0.00 C ATOM 533 O PHE A 40 -1.955 11.057 -6.141 1.00 0.00 O ATOM 534 CB PHE A 40 -3.558 12.030 -3.399 1.00 0.00 C ATOM 535 CG PHE A 40 -4.622 11.855 -4.445 1.00 0.00 C ATOM 536 CD1 PHE A 40 -5.006 10.589 -4.857 1.00 0.00 C ATOM 537 CD2 PHE A 40 -5.235 12.957 -5.019 1.00 0.00 C ATOM 538 CE1 PHE A 40 -5.985 10.425 -5.820 1.00 0.00 C ATOM 539 CE2 PHE A 40 -6.213 12.799 -5.982 1.00 0.00 C ATOM 540 CZ PHE A 40 -6.588 11.533 -6.384 1.00 0.00 C ATOM 0 H PHE A 40 -2.704 13.684 -5.189 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.424 11.990 -3.152 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.628 11.213 -2.681 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.747 12.953 -2.851 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.535 9.720 -4.421 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.945 13.950 -4.710 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.278 9.433 -6.131 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.684 13.666 -6.420 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.351 11.409 -7.138 1.00 0.00 H new ATOM 550 N LEU A 41 -1.712 9.716 -4.350 1.00 0.00 N ATOM 551 CA LEU A 41 -1.493 8.512 -5.145 1.00 0.00 C ATOM 552 C LEU A 41 -1.647 7.260 -4.288 1.00 0.00 C ATOM 553 O LEU A 41 -1.629 7.330 -3.059 1.00 0.00 O ATOM 554 CB LEU A 41 -0.102 8.542 -5.778 1.00 0.00 C ATOM 555 CG LEU A 41 1.040 7.999 -4.919 1.00 0.00 C ATOM 556 CD1 LEU A 41 0.970 8.576 -3.513 1.00 0.00 C ATOM 557 CD2 LEU A 41 1.000 6.478 -4.875 1.00 0.00 C ATOM 0 H LEU A 41 -1.685 9.566 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.244 8.485 -5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.135 7.971 -6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.131 9.573 -6.046 1.00 0.00 H new ATOM 0 HG LEU A 41 1.984 8.304 -5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.790 8.179 -2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.049 9.662 -3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.020 8.301 -3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.821 6.110 -4.259 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.051 6.151 -4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.099 6.082 -5.886 1.00 0.00 H new ATOM 569 N ILE A 42 -1.797 6.114 -4.945 1.00 0.00 N ATOM 570 CA ILE A 42 -1.951 4.846 -4.244 1.00 0.00 C ATOM 571 C ILE A 42 -1.077 3.763 -4.868 1.00 0.00 C ATOM 572 O ILE A 42 -0.685 3.862 -6.030 1.00 0.00 O ATOM 573 CB ILE A 42 -3.417 4.374 -4.250 1.00 0.00 C ATOM 574 CG1 ILE A 42 -4.314 5.414 -3.577 1.00 0.00 C ATOM 575 CG2 ILE A 42 -3.542 3.027 -3.552 1.00 0.00 C ATOM 576 CD1 ILE A 42 -5.746 4.958 -3.407 1.00 0.00 C ATOM 0 H ILE A 42 -1.815 6.038 -5.962 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.636 5.015 -3.214 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.742 4.258 -5.284 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.901 5.659 -2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.301 6.330 -4.168 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.584 2.706 -3.564 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.929 2.290 -4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.203 3.119 -2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.324 5.746 -2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.177 4.740 -4.384 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.771 4.059 -2.791 1.00 0.00 H new ATOM 588 N ARG A 43 -0.777 2.730 -4.088 1.00 0.00 N ATOM 589 CA ARG A 43 0.050 1.628 -4.564 1.00 0.00 C ATOM 590 C ARG A 43 -0.315 0.327 -3.853 1.00 0.00 C ATOM 591 O ARG A 43 -0.045 0.162 -2.664 1.00 0.00 O ATOM 592 CB ARG A 43 1.531 1.942 -4.346 1.00 0.00 C ATOM 593 CG ARG A 43 1.915 2.082 -2.882 1.00 0.00 C ATOM 594 CD ARG A 43 3.277 2.739 -2.724 1.00 0.00 C ATOM 595 NE ARG A 43 4.360 1.760 -2.719 1.00 0.00 N ATOM 596 CZ ARG A 43 4.663 1.003 -1.669 1.00 0.00 C ATOM 597 NH1 ARG A 43 3.967 1.113 -0.547 1.00 0.00 N ATOM 598 NH2 ARG A 43 5.664 0.135 -1.742 1.00 0.00 N ATOM 0 H ARG A 43 -1.094 2.633 -3.123 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.135 1.503 -5.631 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.131 1.151 -4.796 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.778 2.867 -4.868 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.162 2.674 -2.362 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.928 1.098 -2.412 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.434 3.448 -3.537 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.299 3.309 -1.795 1.00 0.00 H new ATOM 0 HE ARG A 43 4.915 1.651 -3.568 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.197 1.779 -0.488 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.201 0.531 0.257 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.202 0.048 -2.604 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.896 -0.445 -0.936 1.00 0.00 H new ATOM 612 N VAL A 44 -0.930 -0.591 -4.590 1.00 0.00 N ATOM 613 CA VAL A 44 -1.332 -1.876 -4.032 1.00 0.00 C ATOM 614 C VAL A 44 -0.329 -2.361 -2.991 1.00 0.00 C ATOM 615 O VAL A 44 0.882 -2.248 -3.182 1.00 0.00 O ATOM 616 CB VAL A 44 -1.472 -2.947 -5.131 1.00 0.00 C ATOM 617 CG1 VAL A 44 -1.619 -4.330 -4.513 1.00 0.00 C ATOM 618 CG2 VAL A 44 -2.654 -2.630 -6.034 1.00 0.00 C ATOM 0 H VAL A 44 -1.161 -0.469 -5.576 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.301 -1.725 -3.557 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.567 -2.941 -5.738 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.717 -5.073 -5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.739 -4.555 -3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.507 -4.354 -3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.739 -3.396 -6.805 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.569 -2.608 -5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.503 -1.658 -6.504 1.00 0.00 H new ATOM 628 N SER A 45 -0.841 -2.901 -1.890 1.00 0.00 N ATOM 629 CA SER A 45 0.010 -3.399 -0.816 1.00 0.00 C ATOM 630 C SER A 45 0.425 -4.844 -1.077 1.00 0.00 C ATOM 631 O SER A 45 -0.318 -5.615 -1.686 1.00 0.00 O ATOM 632 CB SER A 45 -0.716 -3.301 0.527 1.00 0.00 C ATOM 633 OG SER A 45 -0.607 -1.997 1.072 1.00 0.00 O ATOM 0 H SER A 45 -1.841 -3.005 -1.718 1.00 0.00 H new ATOM 0 HA SER A 45 0.907 -2.781 -0.782 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.767 -3.557 0.395 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.297 -4.026 1.224 1.00 0.00 H new ATOM 0 HG SER A 45 -0.025 -2.019 1.860 1.00 0.00 H new ATOM 639 N HIS A 46 1.617 -5.204 -0.615 1.00 0.00 N ATOM 640 CA HIS A 46 2.133 -6.557 -0.797 1.00 0.00 C ATOM 641 C HIS A 46 2.419 -7.216 0.549 1.00 0.00 C ATOM 642 O HIS A 46 2.225 -8.421 0.714 1.00 0.00 O ATOM 643 CB HIS A 46 3.403 -6.531 -1.646 1.00 0.00 C ATOM 644 CG HIS A 46 3.194 -5.975 -3.021 1.00 0.00 C ATOM 645 ND1 HIS A 46 3.340 -6.727 -4.167 1.00 0.00 N ATOM 646 CD2 HIS A 46 2.847 -4.733 -3.430 1.00 0.00 C ATOM 647 CE1 HIS A 46 3.093 -5.971 -5.223 1.00 0.00 C ATOM 648 NE2 HIS A 46 2.790 -4.757 -4.802 1.00 0.00 N ATOM 0 H HIS A 46 2.245 -4.578 -0.111 1.00 0.00 H new ATOM 0 HA HIS A 46 1.372 -7.143 -1.313 1.00 0.00 H new ATOM 0 HB2 HIS A 46 4.160 -5.937 -1.134 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.795 -7.545 -1.729 1.00 0.00 H new ATOM 0 HD1 HIS A 46 3.598 -7.713 -4.196 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.651 -3.881 -2.796 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.132 -6.292 -6.254 1.00 0.00 H new ATOM 656 N SER A 47 2.881 -6.419 1.506 1.00 0.00 N ATOM 657 CA SER A 47 3.197 -6.926 2.836 1.00 0.00 C ATOM 658 C SER A 47 1.926 -7.280 3.600 1.00 0.00 C ATOM 659 O SER A 47 1.940 -8.125 4.496 1.00 0.00 O ATOM 660 CB SER A 47 4.006 -5.891 3.621 1.00 0.00 C ATOM 661 OG SER A 47 3.295 -4.669 3.736 1.00 0.00 O ATOM 0 H SER A 47 3.045 -5.419 1.386 1.00 0.00 H new ATOM 0 HA SER A 47 3.793 -7.831 2.720 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.232 -6.279 4.614 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.959 -5.715 3.122 1.00 0.00 H new ATOM 0 HG SER A 47 3.832 -4.025 4.243 1.00 0.00 H new ATOM 667 N HIS A 48 0.825 -6.628 3.240 1.00 0.00 N ATOM 668 CA HIS A 48 -0.458 -6.873 3.890 1.00 0.00 C ATOM 669 C HIS A 48 -1.609 -6.691 2.907 1.00 0.00 C ATOM 670 O HIS A 48 -1.777 -5.619 2.324 1.00 0.00 O ATOM 671 CB HIS A 48 -0.637 -5.933 5.083 1.00 0.00 C ATOM 672 CG HIS A 48 -1.296 -4.636 4.730 1.00 0.00 C ATOM 673 ND1 HIS A 48 -0.596 -3.463 4.542 1.00 0.00 N ATOM 674 CD2 HIS A 48 -2.599 -4.332 4.529 1.00 0.00 C ATOM 675 CE1 HIS A 48 -1.441 -2.492 4.242 1.00 0.00 C ATOM 676 NE2 HIS A 48 -2.663 -2.993 4.228 1.00 0.00 N ATOM 0 H HIS A 48 0.795 -5.925 2.501 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.466 -7.904 4.245 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.230 -6.437 5.846 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.339 -5.727 5.523 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.433 -5.015 4.593 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -1.177 -1.464 4.042 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.516 -2.471 4.026 1.00 0.00 H new ATOM 684 N VAL A 49 -2.399 -7.744 2.727 1.00 0.00 N ATOM 685 CA VAL A 49 -3.536 -7.700 1.814 1.00 0.00 C ATOM 686 C VAL A 49 -4.289 -6.381 1.938 1.00 0.00 C ATOM 687 O VAL A 49 -4.972 -6.135 2.932 1.00 0.00 O ATOM 688 CB VAL A 49 -4.511 -8.863 2.076 1.00 0.00 C ATOM 689 CG1 VAL A 49 -5.057 -8.793 3.494 1.00 0.00 C ATOM 690 CG2 VAL A 49 -5.643 -8.848 1.059 1.00 0.00 C ATOM 0 H VAL A 49 -2.273 -8.638 3.201 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.136 -7.792 0.804 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.967 -9.802 1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.744 -9.623 3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.233 -8.856 4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.586 -7.850 3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.323 -9.676 1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.187 -7.906 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.231 -8.950 0.055 1.00 0.00 H new ATOM 700 N GLY A 50 -4.162 -5.534 0.921 1.00 0.00 N ATOM 701 CA GLY A 50 -4.837 -4.250 0.935 1.00 0.00 C ATOM 702 C GLY A 50 -4.142 -3.220 0.068 1.00 0.00 C ATOM 703 O GLY A 50 -3.601 -3.550 -0.988 1.00 0.00 O ATOM 0 H GLY A 50 -3.603 -5.715 0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.863 -4.379 0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.890 -3.882 1.960 1.00 0.00 H new ATOM 707 N TYR A 51 -4.156 -1.968 0.512 1.00 0.00 N ATOM 708 CA TYR A 51 -3.526 -0.885 -0.233 1.00 0.00 C ATOM 709 C TYR A 51 -2.849 0.104 0.710 1.00 0.00 C ATOM 710 O TYR A 51 -2.805 -0.106 1.923 1.00 0.00 O ATOM 711 CB TYR A 51 -4.563 -0.158 -1.092 1.00 0.00 C ATOM 712 CG TYR A 51 -5.337 -1.075 -2.012 1.00 0.00 C ATOM 713 CD1 TYR A 51 -6.214 -2.025 -1.501 1.00 0.00 C ATOM 714 CD2 TYR A 51 -5.190 -0.992 -3.391 1.00 0.00 C ATOM 715 CE1 TYR A 51 -6.923 -2.864 -2.338 1.00 0.00 C ATOM 716 CE2 TYR A 51 -5.897 -1.828 -4.235 1.00 0.00 C ATOM 717 CZ TYR A 51 -6.761 -2.762 -3.704 1.00 0.00 C ATOM 718 OH TYR A 51 -7.465 -3.597 -4.541 1.00 0.00 O ATOM 0 H TYR A 51 -4.597 -1.678 1.385 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.766 -1.320 -0.882 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.263 0.363 -0.439 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.059 0.602 -1.690 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.343 -2.108 -0.432 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.513 -0.263 -3.810 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.601 -3.596 -1.925 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.773 -1.750 -5.305 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.237 -3.395 -5.472 1.00 0.00 H new ATOM 728 N THR A 52 -2.319 1.184 0.145 1.00 0.00 N ATOM 729 CA THR A 52 -1.644 2.206 0.934 1.00 0.00 C ATOM 730 C THR A 52 -1.815 3.586 0.310 1.00 0.00 C ATOM 731 O THR A 52 -1.203 3.897 -0.714 1.00 0.00 O ATOM 732 CB THR A 52 -0.140 1.903 1.075 1.00 0.00 C ATOM 733 OG1 THR A 52 0.047 0.576 1.580 1.00 0.00 O ATOM 734 CG2 THR A 52 0.529 2.904 2.006 1.00 0.00 C ATOM 0 H THR A 52 -2.344 1.373 -0.857 1.00 0.00 H new ATOM 0 HA THR A 52 -2.105 2.198 1.922 1.00 0.00 H new ATOM 0 HB THR A 52 0.318 1.985 0.089 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.285 -0.073 0.925 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.590 2.670 2.090 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.410 3.910 1.604 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.066 2.850 2.991 1.00 0.00 H new ATOM 742 N LEU A 53 -2.650 4.412 0.931 1.00 0.00 N ATOM 743 CA LEU A 53 -2.902 5.761 0.436 1.00 0.00 C ATOM 744 C LEU A 53 -1.775 6.708 0.838 1.00 0.00 C ATOM 745 O LEU A 53 -1.377 6.756 2.001 1.00 0.00 O ATOM 746 CB LEU A 53 -4.237 6.281 0.973 1.00 0.00 C ATOM 747 CG LEU A 53 -4.562 7.743 0.661 1.00 0.00 C ATOM 748 CD1 LEU A 53 -3.651 8.671 1.448 1.00 0.00 C ATOM 749 CD2 LEU A 53 -4.437 8.010 -0.832 1.00 0.00 C ATOM 0 H LEU A 53 -3.164 4.171 1.778 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.946 5.720 -0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.035 5.658 0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.246 6.150 2.055 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.592 7.938 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.896 9.707 1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.790 8.498 2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.613 8.475 1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.672 9.055 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.418 7.797 -1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.132 7.369 -1.376 1.00 0.00 H new ATOM 761 N SER A 54 -1.268 7.460 -0.132 1.00 0.00 N ATOM 762 CA SER A 54 -0.186 8.405 0.120 1.00 0.00 C ATOM 763 C SER A 54 -0.388 9.688 -0.680 1.00 0.00 C ATOM 764 O SER A 54 -1.116 9.707 -1.672 1.00 0.00 O ATOM 765 CB SER A 54 1.163 7.776 -0.236 1.00 0.00 C ATOM 766 OG SER A 54 1.692 7.050 0.861 1.00 0.00 O ATOM 0 H SER A 54 -1.588 7.434 -1.100 1.00 0.00 H new ATOM 0 HA SER A 54 -0.194 8.654 1.181 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.044 7.112 -1.092 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.865 8.556 -0.533 1.00 0.00 H new ATOM 0 HG SER A 54 2.613 7.338 1.030 1.00 0.00 H new ATOM 772 N TYR A 55 0.264 10.760 -0.241 1.00 0.00 N ATOM 773 CA TYR A 55 0.154 12.048 -0.914 1.00 0.00 C ATOM 774 C TYR A 55 1.116 13.064 -0.306 1.00 0.00 C ATOM 775 O TYR A 55 1.486 12.964 0.865 1.00 0.00 O ATOM 776 CB TYR A 55 -1.280 12.574 -0.828 1.00 0.00 C ATOM 777 CG TYR A 55 -1.726 12.885 0.583 1.00 0.00 C ATOM 778 CD1 TYR A 55 -1.352 14.069 1.206 1.00 0.00 C ATOM 779 CD2 TYR A 55 -2.523 11.995 1.292 1.00 0.00 C ATOM 780 CE1 TYR A 55 -1.758 14.357 2.495 1.00 0.00 C ATOM 781 CE2 TYR A 55 -2.935 12.275 2.582 1.00 0.00 C ATOM 782 CZ TYR A 55 -2.548 13.457 3.178 1.00 0.00 C ATOM 783 OH TYR A 55 -2.955 13.742 4.462 1.00 0.00 O ATOM 0 H TYR A 55 0.873 10.762 0.577 1.00 0.00 H new ATOM 0 HA TYR A 55 0.418 11.904 -1.962 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.364 13.476 -1.434 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.956 11.836 -1.260 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.733 14.776 0.674 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.826 11.068 0.828 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.458 15.282 2.965 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.556 11.573 3.119 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.706 14.371 4.435 1.00 0.00 H new ATOM 793 N LYS A 56 1.520 14.043 -1.109 1.00 0.00 N ATOM 794 CA LYS A 56 2.438 15.079 -0.652 1.00 0.00 C ATOM 795 C LYS A 56 1.763 15.993 0.366 1.00 0.00 C ATOM 796 O LYS A 56 0.696 16.547 0.105 1.00 0.00 O ATOM 797 CB LYS A 56 2.941 15.904 -1.839 1.00 0.00 C ATOM 798 CG LYS A 56 4.294 16.551 -1.601 1.00 0.00 C ATOM 799 CD LYS A 56 5.430 15.644 -2.043 1.00 0.00 C ATOM 800 CE LYS A 56 6.757 16.077 -1.435 1.00 0.00 C ATOM 801 NZ LYS A 56 7.293 17.302 -2.091 1.00 0.00 N ATOM 0 H LYS A 56 1.225 14.140 -2.081 1.00 0.00 H new ATOM 0 HA LYS A 56 3.286 14.592 -0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.005 15.261 -2.717 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.211 16.681 -2.066 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.348 17.495 -2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.405 16.786 -0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.212 14.617 -1.750 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.505 15.656 -3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.625 16.264 -0.369 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.481 15.268 -1.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.197 17.565 -1.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.443 17.116 -3.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.613 18.081 -1.979 1.00 0.00 H new ATOM 815 N ALA A 57 2.394 16.148 1.525 1.00 0.00 N ATOM 816 CA ALA A 57 1.856 16.999 2.580 1.00 0.00 C ATOM 817 C ALA A 57 2.810 18.144 2.903 1.00 0.00 C ATOM 818 O ALA A 57 4.029 17.972 2.881 1.00 0.00 O ATOM 819 CB ALA A 57 1.576 16.176 3.828 1.00 0.00 C ATOM 0 H ALA A 57 3.278 15.696 1.758 1.00 0.00 H new ATOM 0 HA ALA A 57 0.921 17.430 2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.175 16.823 4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.851 15.396 3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.501 15.718 4.177 1.00 0.00 H new ATOM 825 N GLN A 58 2.247 19.310 3.199 1.00 0.00 N ATOM 826 CA GLN A 58 3.049 20.484 3.524 1.00 0.00 C ATOM 827 C GLN A 58 4.311 20.088 4.286 1.00 0.00 C ATOM 828 O GLN A 58 5.411 20.530 3.956 1.00 0.00 O ATOM 829 CB GLN A 58 2.231 21.475 4.353 1.00 0.00 C ATOM 830 CG GLN A 58 1.400 22.431 3.512 1.00 0.00 C ATOM 831 CD GLN A 58 2.217 23.584 2.964 1.00 0.00 C ATOM 832 OE1 GLN A 58 3.355 23.806 3.377 1.00 0.00 O ATOM 833 NE2 GLN A 58 1.638 24.328 2.028 1.00 0.00 N ATOM 0 H GLN A 58 1.239 19.468 3.221 1.00 0.00 H new ATOM 0 HA GLN A 58 3.344 20.960 2.589 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.569 20.920 5.018 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.906 22.053 4.984 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.950 21.884 2.684 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.582 22.824 4.116 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.693 24.108 1.715 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.139 25.119 1.623 1.00 0.00 H new ATOM 842 N SER A 59 4.142 19.252 5.306 1.00 0.00 N ATOM 843 CA SER A 59 5.267 18.799 6.117 1.00 0.00 C ATOM 844 C SER A 59 6.182 17.882 5.311 1.00 0.00 C ATOM 845 O SER A 59 7.333 18.220 5.036 1.00 0.00 O ATOM 846 CB SER A 59 4.763 18.070 7.363 1.00 0.00 C ATOM 847 OG SER A 59 5.821 17.826 8.273 1.00 0.00 O ATOM 0 H SER A 59 3.238 18.875 5.590 1.00 0.00 H new ATOM 0 HA SER A 59 5.839 19.675 6.424 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.991 18.666 7.849 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.302 17.125 7.074 1.00 0.00 H new ATOM 0 HG SER A 59 5.473 17.361 9.062 1.00 0.00 H new ATOM 853 N SER A 60 5.662 16.718 4.936 1.00 0.00 N ATOM 854 CA SER A 60 6.432 15.749 4.166 1.00 0.00 C ATOM 855 C SER A 60 5.562 14.564 3.757 1.00 0.00 C ATOM 856 O SER A 60 4.567 14.255 4.414 1.00 0.00 O ATOM 857 CB SER A 60 7.632 15.258 4.979 1.00 0.00 C ATOM 858 OG SER A 60 8.734 16.136 4.841 1.00 0.00 O ATOM 0 H SER A 60 4.710 16.423 5.153 1.00 0.00 H new ATOM 0 HA SER A 60 6.791 16.243 3.263 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.355 15.179 6.030 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.915 14.259 4.648 1.00 0.00 H new ATOM 0 HG SER A 60 8.490 17.023 5.180 1.00 0.00 H new ATOM 864 N CYS A 61 5.943 13.907 2.667 1.00 0.00 N ATOM 865 CA CYS A 61 5.197 12.757 2.169 1.00 0.00 C ATOM 866 C CYS A 61 4.776 11.843 3.315 1.00 0.00 C ATOM 867 O CYS A 61 5.534 11.629 4.263 1.00 0.00 O ATOM 868 CB CYS A 61 6.041 11.974 1.161 1.00 0.00 C ATOM 869 SG CYS A 61 5.159 10.612 0.361 1.00 0.00 S ATOM 0 H CYS A 61 6.763 14.151 2.112 1.00 0.00 H new ATOM 0 HA CYS A 61 4.299 13.125 1.673 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.401 12.660 0.394 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.919 11.575 1.670 1.00 0.00 H new ATOM 0 HG CYS A 61 5.482 9.490 0.933 1.00 0.00 H new ATOM 875 N CYS A 62 3.563 11.308 3.224 1.00 0.00 N ATOM 876 CA CYS A 62 3.040 10.419 4.254 1.00 0.00 C ATOM 877 C CYS A 62 2.702 9.051 3.673 1.00 0.00 C ATOM 878 O CYS A 62 2.814 8.867 2.461 1.00 0.00 O ATOM 879 CB CYS A 62 1.798 11.032 4.902 1.00 0.00 C ATOM 880 SG CYS A 62 1.552 10.553 6.629 1.00 0.00 S ATOM 0 H CYS A 62 2.924 11.475 2.447 1.00 0.00 H new ATOM 0 HA CYS A 62 3.812 10.290 5.013 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.870 12.118 4.844 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.920 10.740 4.327 1.00 0.00 H new ATOM 0 HG CYS A 62 0.279 10.456 6.875 1.00 0.00 H new ATOM 886 N HIS A 63 2.302 8.130 4.537 1.00 0.00 N ATOM 887 CA HIS A 63 1.955 6.789 4.096 1.00 0.00 C ATOM 888 C HIS A 63 0.902 6.197 5.035 1.00 0.00 C ATOM 889 O HIS A 63 1.185 5.793 6.162 1.00 0.00 O ATOM 890 CB HIS A 63 3.205 5.916 3.981 1.00 0.00 C ATOM 891 CG HIS A 63 4.202 6.401 2.956 1.00 0.00 C ATOM 892 ND1 HIS A 63 4.038 6.197 1.596 1.00 0.00 N ATOM 893 CD2 HIS A 63 5.373 7.083 3.104 1.00 0.00 C ATOM 894 CE1 HIS A 63 5.071 6.736 0.965 1.00 0.00 C ATOM 895 NE2 HIS A 63 5.898 7.283 1.902 1.00 0.00 N ATOM 0 H HIS A 63 2.210 8.286 5.541 1.00 0.00 H new ATOM 0 HA HIS A 63 1.519 6.831 3.098 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.694 5.870 4.954 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.904 4.900 3.727 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.255 5.714 1.155 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.801 7.406 4.041 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.230 6.741 -0.103 1.00 0.00 H new ATOM 903 N PHE A 64 -0.330 6.154 4.540 1.00 0.00 N ATOM 904 CA PHE A 64 -1.446 5.618 5.311 1.00 0.00 C ATOM 905 C PHE A 64 -1.813 4.216 4.835 1.00 0.00 C ATOM 906 O PHE A 64 -2.097 4.003 3.657 1.00 0.00 O ATOM 907 CB PHE A 64 -2.662 6.541 5.199 1.00 0.00 C ATOM 908 CG PHE A 64 -2.345 7.985 5.462 1.00 0.00 C ATOM 909 CD1 PHE A 64 -1.819 8.786 4.461 1.00 0.00 C ATOM 910 CD2 PHE A 64 -2.570 8.541 6.710 1.00 0.00 C ATOM 911 CE1 PHE A 64 -1.526 10.116 4.700 1.00 0.00 C ATOM 912 CE2 PHE A 64 -2.280 9.871 6.955 1.00 0.00 C ATOM 913 CZ PHE A 64 -1.756 10.658 5.948 1.00 0.00 C ATOM 0 H PHE A 64 -0.581 6.484 3.608 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.138 5.559 6.355 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.089 6.447 4.200 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.425 6.211 5.904 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.636 8.367 3.483 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.977 7.929 7.501 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.118 10.730 3.911 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.463 10.293 7.932 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.527 11.696 6.137 1.00 0.00 H new ATOM 923 N MET A 65 -1.803 3.262 5.760 1.00 0.00 N ATOM 924 CA MET A 65 -2.134 1.879 5.436 1.00 0.00 C ATOM 925 C MET A 65 -3.642 1.702 5.286 1.00 0.00 C ATOM 926 O MET A 65 -4.422 2.256 6.061 1.00 0.00 O ATOM 927 CB MET A 65 -1.604 0.937 6.518 1.00 0.00 C ATOM 928 CG MET A 65 -2.433 0.948 7.793 1.00 0.00 C ATOM 929 SD MET A 65 -2.010 -0.403 8.909 1.00 0.00 S ATOM 930 CE MET A 65 -2.555 -1.815 7.951 1.00 0.00 C ATOM 0 H MET A 65 -1.569 3.421 6.740 1.00 0.00 H new ATOM 0 HA MET A 65 -1.660 1.632 4.486 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.575 -0.078 6.122 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.578 1.215 6.759 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.288 1.898 8.308 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.490 0.883 7.535 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.916 -2.593 8.623 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.360 -1.512 7.281 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.721 -2.200 7.364 1.00 0.00 H new ATOM 940 N VAL A 66 -4.046 0.929 4.283 1.00 0.00 N ATOM 941 CA VAL A 66 -5.460 0.679 4.032 1.00 0.00 C ATOM 942 C VAL A 66 -5.782 -0.808 4.132 1.00 0.00 C ATOM 943 O VAL A 66 -5.310 -1.612 3.328 1.00 0.00 O ATOM 944 CB VAL A 66 -5.883 1.192 2.643 1.00 0.00 C ATOM 945 CG1 VAL A 66 -7.282 0.706 2.297 1.00 0.00 C ATOM 946 CG2 VAL A 66 -5.810 2.711 2.592 1.00 0.00 C ATOM 0 H VAL A 66 -3.414 0.465 3.631 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.017 1.221 4.796 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.192 0.792 1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.563 1.079 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.297 -0.384 2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.989 1.075 3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.112 3.057 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.477 3.133 3.344 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.788 3.033 2.792 1.00 0.00 H new ATOM 956 N LYS A 67 -6.589 -1.168 5.124 1.00 0.00 N ATOM 957 CA LYS A 67 -6.977 -2.558 5.329 1.00 0.00 C ATOM 958 C LYS A 67 -8.213 -2.906 4.505 1.00 0.00 C ATOM 959 O LYS A 67 -8.921 -2.020 4.026 1.00 0.00 O ATOM 960 CB LYS A 67 -7.250 -2.819 6.812 1.00 0.00 C ATOM 961 CG LYS A 67 -6.230 -2.183 7.740 1.00 0.00 C ATOM 962 CD LYS A 67 -6.735 -2.128 9.172 1.00 0.00 C ATOM 963 CE LYS A 67 -7.771 -1.029 9.355 1.00 0.00 C ATOM 964 NZ LYS A 67 -8.149 -0.857 10.784 1.00 0.00 N ATOM 0 H LYS A 67 -6.987 -0.515 5.799 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.153 -3.191 5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.241 -2.441 7.062 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.266 -3.895 6.986 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.300 -2.750 7.703 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.002 -1.175 7.395 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.171 -3.090 9.442 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.897 -1.956 9.848 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.376 -0.090 8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.660 -1.266 8.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.543 0.095 10.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.862 -1.569 11.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.307 -0.977 11.383 1.00 0.00 H new ATOM 978 N LEU A 68 -8.466 -4.200 4.345 1.00 0.00 N ATOM 979 CA LEU A 68 -9.618 -4.665 3.579 1.00 0.00 C ATOM 980 C LEU A 68 -10.663 -5.292 4.496 1.00 0.00 C ATOM 981 O LEU A 68 -10.512 -6.432 4.940 1.00 0.00 O ATOM 982 CB LEU A 68 -9.176 -5.677 2.521 1.00 0.00 C ATOM 983 CG LEU A 68 -10.118 -5.858 1.331 1.00 0.00 C ATOM 984 CD1 LEU A 68 -9.531 -6.838 0.328 1.00 0.00 C ATOM 985 CD2 LEU A 68 -11.487 -6.330 1.801 1.00 0.00 C ATOM 0 H LEU A 68 -7.890 -4.946 4.735 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.067 -3.804 3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.199 -5.374 2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.044 -6.645 3.005 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.237 -4.893 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.216 -6.953 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.575 -6.460 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.380 -7.805 0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.145 -6.453 0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.385 -7.283 2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.913 -5.592 2.480 1.00 0.00 H new ATOM 997 N LEU A 69 -11.724 -4.544 4.774 1.00 0.00 N ATOM 998 CA LEU A 69 -12.797 -5.028 5.637 1.00 0.00 C ATOM 999 C LEU A 69 -13.300 -6.389 5.167 1.00 0.00 C ATOM 1000 O LEU A 69 -12.781 -6.957 4.207 1.00 0.00 O ATOM 1001 CB LEU A 69 -13.951 -4.024 5.659 1.00 0.00 C ATOM 1002 CG LEU A 69 -13.650 -2.668 6.298 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -12.949 -2.852 7.635 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -12.806 -1.814 5.363 1.00 0.00 C ATOM 0 H LEU A 69 -11.865 -3.600 4.415 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.399 -5.137 6.646 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.278 -3.855 4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.789 -4.476 6.191 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.594 -2.153 6.475 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.743 -1.876 8.075 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.589 -3.425 8.306 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.012 -3.387 7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.601 -0.852 5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.865 -2.324 5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.346 -1.653 4.430 1.00 0.00 H new ATOM 1016 N ASP A 70 -14.316 -6.905 5.851 1.00 0.00 N ATOM 1017 CA ASP A 70 -14.892 -8.199 5.502 1.00 0.00 C ATOM 1018 C ASP A 70 -16.043 -8.033 4.515 1.00 0.00 C ATOM 1019 O ASP A 70 -16.424 -8.979 3.825 1.00 0.00 O ATOM 1020 CB ASP A 70 -15.384 -8.918 6.760 1.00 0.00 C ATOM 1021 CG ASP A 70 -16.053 -10.242 6.446 1.00 0.00 C ATOM 1022 OD1 ASP A 70 -15.329 -11.244 6.269 1.00 0.00 O ATOM 1023 OD2 ASP A 70 -17.299 -10.275 6.376 1.00 0.00 O ATOM 0 H ASP A 70 -14.757 -6.448 6.649 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.115 -8.799 5.029 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.541 -9.090 7.430 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.087 -8.276 7.291 1.00 0.00 H new ATOM 1028 N ASP A 71 -16.592 -6.825 4.452 1.00 0.00 N ATOM 1029 CA ASP A 71 -17.700 -6.534 3.548 1.00 0.00 C ATOM 1030 C ASP A 71 -17.185 -6.136 2.169 1.00 0.00 C ATOM 1031 O ASP A 71 -17.849 -5.405 1.435 1.00 0.00 O ATOM 1032 CB ASP A 71 -18.575 -5.419 4.123 1.00 0.00 C ATOM 1033 CG ASP A 71 -19.961 -5.397 3.508 1.00 0.00 C ATOM 1034 OD1 ASP A 71 -20.696 -6.395 3.664 1.00 0.00 O ATOM 1035 OD2 ASP A 71 -20.311 -4.381 2.872 1.00 0.00 O ATOM 0 H ASP A 71 -16.288 -6.031 5.016 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.300 -7.438 3.444 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -18.661 -5.548 5.202 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.090 -4.457 3.955 1.00 0.00 H new ATOM 1040 N GLY A 72 -15.995 -6.619 1.823 1.00 0.00 N ATOM 1041 CA GLY A 72 -15.411 -6.301 0.533 1.00 0.00 C ATOM 1042 C GLY A 72 -15.151 -4.817 0.365 1.00 0.00 C ATOM 1043 O GLY A 72 -15.031 -4.323 -0.756 1.00 0.00 O ATOM 0 H GLY A 72 -15.425 -7.225 2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.474 -6.846 0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.078 -6.642 -0.259 1.00 0.00 H new ATOM 1047 N THR A 73 -15.065 -4.103 1.483 1.00 0.00 N ATOM 1048 CA THR A 73 -14.820 -2.666 1.455 1.00 0.00 C ATOM 1049 C THR A 73 -13.437 -2.334 2.003 1.00 0.00 C ATOM 1050 O THR A 73 -12.653 -3.227 2.321 1.00 0.00 O ATOM 1051 CB THR A 73 -15.880 -1.900 2.268 1.00 0.00 C ATOM 1052 OG1 THR A 73 -15.780 -2.247 3.653 1.00 0.00 O ATOM 1053 CG2 THR A 73 -17.281 -2.211 1.761 1.00 0.00 C ATOM 0 H THR A 73 -15.161 -4.496 2.419 1.00 0.00 H new ATOM 0 HA THR A 73 -14.879 -2.355 0.412 1.00 0.00 H new ATOM 0 HB THR A 73 -15.697 -0.832 2.147 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.456 -1.754 4.163 1.00 0.00 H new ATOM 0 HG21 THR A 73 -18.012 -1.658 2.351 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.363 -1.918 0.714 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.473 -3.280 1.854 1.00 0.00 H new ATOM 1061 N PHE A 74 -13.144 -1.042 2.111 1.00 0.00 N ATOM 1062 CA PHE A 74 -11.854 -0.592 2.622 1.00 0.00 C ATOM 1063 C PHE A 74 -12.031 0.565 3.602 1.00 0.00 C ATOM 1064 O PHE A 74 -12.924 1.396 3.443 1.00 0.00 O ATOM 1065 CB PHE A 74 -10.948 -0.162 1.466 1.00 0.00 C ATOM 1066 CG PHE A 74 -10.882 -1.164 0.350 1.00 0.00 C ATOM 1067 CD1 PHE A 74 -9.933 -2.173 0.362 1.00 0.00 C ATOM 1068 CD2 PHE A 74 -11.771 -1.098 -0.711 1.00 0.00 C ATOM 1069 CE1 PHE A 74 -9.870 -3.096 -0.664 1.00 0.00 C ATOM 1070 CE2 PHE A 74 -11.714 -2.019 -1.740 1.00 0.00 C ATOM 1071 CZ PHE A 74 -10.763 -3.020 -1.716 1.00 0.00 C ATOM 0 H PHE A 74 -13.781 -0.289 1.852 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.389 -1.424 3.150 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.305 0.788 1.069 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.942 0.010 1.848 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -9.234 -2.239 1.183 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -12.517 -0.318 -0.734 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.124 -3.876 -0.644 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -12.412 -1.956 -2.562 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.717 -3.742 -2.518 1.00 0.00 H new ATOM 1081 N MET A 75 -11.173 0.609 4.615 1.00 0.00 N ATOM 1082 CA MET A 75 -11.233 1.663 5.621 1.00 0.00 C ATOM 1083 C MET A 75 -9.876 1.853 6.291 1.00 0.00 C ATOM 1084 O MET A 75 -9.203 0.883 6.638 1.00 0.00 O ATOM 1085 CB MET A 75 -12.293 1.332 6.674 1.00 0.00 C ATOM 1086 CG MET A 75 -12.219 2.216 7.909 1.00 0.00 C ATOM 1087 SD MET A 75 -13.821 2.424 8.711 1.00 0.00 S ATOM 1088 CE MET A 75 -13.513 3.879 9.710 1.00 0.00 C ATOM 0 H MET A 75 -10.428 -0.072 4.761 1.00 0.00 H new ATOM 0 HA MET A 75 -11.505 2.593 5.122 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.282 1.430 6.226 1.00 0.00 H new ATOM 0 HB3 MET A 75 -12.181 0.290 6.975 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.515 1.783 8.619 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.828 3.194 7.628 1.00 0.00 H new ATOM 0 HE1 MET A 75 -14.441 4.197 10.185 1.00 0.00 H new ATOM 0 HE2 MET A 75 -12.775 3.644 10.477 1.00 0.00 H new ATOM 0 HE3 MET A 75 -13.135 4.682 9.077 1.00 0.00 H new ATOM 1098 N ILE A 76 -9.481 3.109 6.471 1.00 0.00 N ATOM 1099 CA ILE A 76 -8.204 3.425 7.100 1.00 0.00 C ATOM 1100 C ILE A 76 -8.297 3.309 8.618 1.00 0.00 C ATOM 1101 O ILE A 76 -9.278 3.719 9.239 1.00 0.00 O ATOM 1102 CB ILE A 76 -7.731 4.845 6.733 1.00 0.00 C ATOM 1103 CG1 ILE A 76 -7.530 4.962 5.221 1.00 0.00 C ATOM 1104 CG2 ILE A 76 -6.446 5.182 7.472 1.00 0.00 C ATOM 1105 CD1 ILE A 76 -7.463 6.392 4.729 1.00 0.00 C ATOM 0 H ILE A 76 -10.026 3.924 6.190 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.480 2.702 6.725 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.498 5.558 7.035 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.610 4.447 4.944 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.347 4.449 4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.124 6.188 7.202 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.621 5.133 8.547 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.670 4.467 7.197 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.319 6.399 3.649 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.393 6.905 4.975 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.629 6.903 5.209 1.00 0.00 H new ATOM 1117 N PRO A 77 -7.249 2.740 9.232 1.00 0.00 N ATOM 1118 CA PRO A 77 -7.186 2.558 10.686 1.00 0.00 C ATOM 1119 C PRO A 77 -7.027 3.881 11.428 1.00 0.00 C ATOM 1120 O PRO A 77 -5.916 4.283 11.770 1.00 0.00 O ATOM 1121 CB PRO A 77 -5.946 1.683 10.881 1.00 0.00 C ATOM 1122 CG PRO A 77 -5.095 1.961 9.690 1.00 0.00 C ATOM 1123 CD PRO A 77 -6.045 2.229 8.556 1.00 0.00 C ATOM 0 HA PRO A 77 -8.101 2.117 11.082 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.426 1.933 11.806 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.212 0.628 10.940 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.446 2.819 9.866 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.449 1.112 9.465 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.638 2.958 7.855 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.257 1.324 7.987 1.00 0.00 H new ATOM 1131 N GLY A 78 -8.148 4.555 11.675 1.00 0.00 N ATOM 1132 CA GLY A 78 -8.109 5.825 12.375 1.00 0.00 C ATOM 1133 C GLY A 78 -9.229 6.755 11.952 1.00 0.00 C ATOM 1134 O GLY A 78 -9.553 7.708 12.658 1.00 0.00 O ATOM 0 H GLY A 78 -9.080 4.244 11.403 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -8.175 5.647 13.448 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.150 6.309 12.190 1.00 0.00 H new ATOM 1138 N GLU A 79 -9.821 6.477 10.794 1.00 0.00 N ATOM 1139 CA GLU A 79 -10.908 7.298 10.277 1.00 0.00 C ATOM 1140 C GLU A 79 -12.246 6.866 10.872 1.00 0.00 C ATOM 1141 O GLU A 79 -12.305 5.961 11.703 1.00 0.00 O ATOM 1142 CB GLU A 79 -10.964 7.207 8.750 1.00 0.00 C ATOM 1143 CG GLU A 79 -9.869 7.996 8.053 1.00 0.00 C ATOM 1144 CD GLU A 79 -10.175 8.253 6.590 1.00 0.00 C ATOM 1145 OE1 GLU A 79 -10.919 7.448 5.990 1.00 0.00 O ATOM 1146 OE2 GLU A 79 -9.671 9.257 6.046 1.00 0.00 O ATOM 0 H GLU A 79 -9.566 5.690 10.197 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.718 8.332 10.566 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.891 6.161 8.454 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.934 7.568 8.408 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.732 8.949 8.564 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.928 7.452 8.133 1.00 0.00 H new ATOM 1153 N LYS A 80 -13.317 7.523 10.440 1.00 0.00 N ATOM 1154 CA LYS A 80 -14.655 7.209 10.928 1.00 0.00 C ATOM 1155 C LYS A 80 -15.602 6.912 9.769 1.00 0.00 C ATOM 1156 O LYS A 80 -16.822 6.959 9.923 1.00 0.00 O ATOM 1157 CB LYS A 80 -15.202 8.371 11.762 1.00 0.00 C ATOM 1158 CG LYS A 80 -14.328 8.730 12.950 1.00 0.00 C ATOM 1159 CD LYS A 80 -13.277 9.762 12.578 1.00 0.00 C ATOM 1160 CE LYS A 80 -12.031 9.626 13.439 1.00 0.00 C ATOM 1161 NZ LYS A 80 -12.266 10.095 14.833 1.00 0.00 N ATOM 0 H LYS A 80 -13.285 8.276 9.753 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.586 6.320 11.555 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.310 9.247 11.123 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.199 8.113 12.120 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.950 9.118 13.757 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.839 7.832 13.328 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.009 9.647 11.528 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.692 10.763 12.693 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.713 8.584 13.455 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.218 10.200 12.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.393 9.986 15.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.545 11.097 14.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.024 9.530 15.266 1.00 0.00 H new ATOM 1175 N VAL A 81 -15.030 6.605 8.609 1.00 0.00 N ATOM 1176 CA VAL A 81 -15.822 6.297 7.424 1.00 0.00 C ATOM 1177 C VAL A 81 -15.126 5.259 6.551 1.00 0.00 C ATOM 1178 O VAL A 81 -13.915 5.064 6.648 1.00 0.00 O ATOM 1179 CB VAL A 81 -16.092 7.560 6.586 1.00 0.00 C ATOM 1180 CG1 VAL A 81 -17.191 8.398 7.220 1.00 0.00 C ATOM 1181 CG2 VAL A 81 -14.817 8.374 6.423 1.00 0.00 C ATOM 0 H VAL A 81 -14.021 6.563 8.465 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.772 5.893 7.775 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.429 7.252 5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.367 9.286 6.613 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.108 7.811 7.279 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -16.887 8.698 8.223 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -15.026 9.263 5.828 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -14.448 8.673 7.404 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -14.062 7.770 5.920 1.00 0.00 H new ATOM 1191 N ALA A 82 -15.901 4.597 5.698 1.00 0.00 N ATOM 1192 CA ALA A 82 -15.357 3.581 4.805 1.00 0.00 C ATOM 1193 C ALA A 82 -15.781 3.834 3.362 1.00 0.00 C ATOM 1194 O ALA A 82 -16.424 4.841 3.061 1.00 0.00 O ATOM 1195 CB ALA A 82 -15.799 2.195 5.252 1.00 0.00 C ATOM 0 H ALA A 82 -16.906 4.746 5.607 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.269 3.636 4.851 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.386 1.446 4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.441 2.008 6.264 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.887 2.137 5.236 1.00 0.00 H new ATOM 1201 N HIS A 83 -15.419 2.915 2.473 1.00 0.00 N ATOM 1202 CA HIS A 83 -15.763 3.039 1.061 1.00 0.00 C ATOM 1203 C HIS A 83 -15.692 1.684 0.364 1.00 0.00 C ATOM 1204 O HIS A 83 -14.994 0.776 0.816 1.00 0.00 O ATOM 1205 CB HIS A 83 -14.824 4.030 0.372 1.00 0.00 C ATOM 1206 CG HIS A 83 -14.464 5.207 1.225 1.00 0.00 C ATOM 1207 ND1 HIS A 83 -15.283 6.306 1.375 1.00 0.00 N ATOM 1208 CD2 HIS A 83 -13.366 5.452 1.978 1.00 0.00 C ATOM 1209 CE1 HIS A 83 -14.703 7.177 2.182 1.00 0.00 C ATOM 1210 NE2 HIS A 83 -13.539 6.683 2.562 1.00 0.00 N ATOM 0 H HIS A 83 -14.887 2.076 2.705 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.786 3.410 0.992 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -13.911 3.510 0.081 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -15.294 4.386 -0.544 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -12.513 4.801 2.097 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -15.112 8.131 2.480 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.876 7.141 3.187 1.00 0.00 H new ATOM 1218 N THR A 84 -16.422 1.553 -0.740 1.00 0.00 N ATOM 1219 CA THR A 84 -16.443 0.309 -1.499 1.00 0.00 C ATOM 1220 C THR A 84 -15.077 0.011 -2.106 1.00 0.00 C ATOM 1221 O THR A 84 -14.529 -1.075 -1.921 1.00 0.00 O ATOM 1222 CB THR A 84 -17.493 0.357 -2.625 1.00 0.00 C ATOM 1223 OG1 THR A 84 -17.337 1.556 -3.391 1.00 0.00 O ATOM 1224 CG2 THR A 84 -18.903 0.293 -2.054 1.00 0.00 C ATOM 0 H THR A 84 -17.006 2.294 -1.128 1.00 0.00 H new ATOM 0 HA THR A 84 -16.706 -0.484 -0.799 1.00 0.00 H new ATOM 0 HB THR A 84 -17.340 -0.508 -3.271 1.00 0.00 H new ATOM 0 HG1 THR A 84 -18.007 1.577 -4.106 1.00 0.00 H new ATOM 0 HG21 THR A 84 -19.627 0.328 -2.868 1.00 0.00 H new ATOM 0 HG22 THR A 84 -19.028 -0.636 -1.497 1.00 0.00 H new ATOM 0 HG23 THR A 84 -19.064 1.140 -1.388 1.00 0.00 H new ATOM 1232 N SER A 85 -14.532 0.983 -2.831 1.00 0.00 N ATOM 1233 CA SER A 85 -13.230 0.823 -3.468 1.00 0.00 C ATOM 1234 C SER A 85 -12.401 2.096 -3.337 1.00 0.00 C ATOM 1235 O SER A 85 -12.867 3.102 -2.800 1.00 0.00 O ATOM 1236 CB SER A 85 -13.403 0.463 -4.945 1.00 0.00 C ATOM 1237 OG SER A 85 -13.692 -0.916 -5.104 1.00 0.00 O ATOM 0 H SER A 85 -14.972 1.889 -2.992 1.00 0.00 H new ATOM 0 HA SER A 85 -12.703 0.014 -2.963 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.208 1.058 -5.376 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.494 0.713 -5.492 1.00 0.00 H new ATOM 0 HG SER A 85 -13.800 -1.120 -6.056 1.00 0.00 H new ATOM 1243 N LEU A 86 -11.169 2.046 -3.831 1.00 0.00 N ATOM 1244 CA LEU A 86 -10.273 3.195 -3.770 1.00 0.00 C ATOM 1245 C LEU A 86 -10.940 4.437 -4.351 1.00 0.00 C ATOM 1246 O LEU A 86 -10.939 5.501 -3.731 1.00 0.00 O ATOM 1247 CB LEU A 86 -8.978 2.897 -4.527 1.00 0.00 C ATOM 1248 CG LEU A 86 -7.882 2.187 -3.731 1.00 0.00 C ATOM 1249 CD1 LEU A 86 -7.653 2.884 -2.399 1.00 0.00 C ATOM 1250 CD2 LEU A 86 -8.245 0.724 -3.514 1.00 0.00 C ATOM 0 H LEU A 86 -10.768 1.222 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 86 -10.039 3.387 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.221 2.286 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.575 3.838 -4.902 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.956 2.231 -4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.870 2.365 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.349 3.916 -2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.576 2.872 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.455 0.233 -2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.182 0.660 -2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.358 0.230 -4.479 1.00 0.00 H new ATOM 1262 N ASP A 87 -11.509 4.295 -5.542 1.00 0.00 N ATOM 1263 CA ASP A 87 -12.184 5.405 -6.205 1.00 0.00 C ATOM 1264 C ASP A 87 -13.110 6.134 -5.236 1.00 0.00 C ATOM 1265 O ASP A 87 -12.980 7.339 -5.027 1.00 0.00 O ATOM 1266 CB ASP A 87 -12.981 4.900 -7.409 1.00 0.00 C ATOM 1267 CG ASP A 87 -12.270 3.780 -8.144 1.00 0.00 C ATOM 1268 OD1 ASP A 87 -12.336 2.625 -7.671 1.00 0.00 O ATOM 1269 OD2 ASP A 87 -11.652 4.057 -9.192 1.00 0.00 O ATOM 0 H ASP A 87 -11.517 3.422 -6.069 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.424 6.106 -6.551 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -13.957 4.549 -7.074 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.159 5.727 -8.097 1.00 0.00 H new ATOM 1274 N ALA A 88 -14.047 5.395 -4.651 1.00 0.00 N ATOM 1275 CA ALA A 88 -14.994 5.971 -3.704 1.00 0.00 C ATOM 1276 C ALA A 88 -14.309 6.323 -2.388 1.00 0.00 C ATOM 1277 O ALA A 88 -14.910 6.946 -1.512 1.00 0.00 O ATOM 1278 CB ALA A 88 -16.148 5.010 -3.462 1.00 0.00 C ATOM 0 H ALA A 88 -14.171 4.396 -4.816 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.387 6.892 -4.135 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -16.848 5.453 -2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.661 4.813 -4.403 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.763 4.074 -3.056 1.00 0.00 H new ATOM 1284 N LEU A 89 -13.051 5.919 -2.255 1.00 0.00 N ATOM 1285 CA LEU A 89 -12.285 6.191 -1.043 1.00 0.00 C ATOM 1286 C LEU A 89 -11.348 7.378 -1.246 1.00 0.00 C ATOM 1287 O LEU A 89 -10.882 7.986 -0.283 1.00 0.00 O ATOM 1288 CB LEU A 89 -11.479 4.955 -0.638 1.00 0.00 C ATOM 1289 CG LEU A 89 -10.152 5.221 0.073 1.00 0.00 C ATOM 1290 CD1 LEU A 89 -9.768 4.041 0.950 1.00 0.00 C ATOM 1291 CD2 LEU A 89 -9.054 5.516 -0.940 1.00 0.00 C ATOM 0 H LEU A 89 -12.540 5.402 -2.970 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.987 6.437 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.099 4.339 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.277 4.369 -1.534 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.274 6.095 0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.821 4.250 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.543 3.877 1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.665 3.148 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.116 5.703 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.934 4.661 -1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.325 6.395 -1.524 1.00 0.00 H new ATOM 1303 N VAL A 90 -11.079 7.703 -2.506 1.00 0.00 N ATOM 1304 CA VAL A 90 -10.201 8.821 -2.836 1.00 0.00 C ATOM 1305 C VAL A 90 -10.980 10.130 -2.901 1.00 0.00 C ATOM 1306 O VAL A 90 -10.558 11.144 -2.342 1.00 0.00 O ATOM 1307 CB VAL A 90 -9.487 8.593 -4.182 1.00 0.00 C ATOM 1308 CG1 VAL A 90 -8.592 9.777 -4.517 1.00 0.00 C ATOM 1309 CG2 VAL A 90 -8.686 7.301 -4.148 1.00 0.00 C ATOM 0 H VAL A 90 -11.456 7.209 -3.315 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.456 8.885 -2.043 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.241 8.505 -4.964 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.095 9.599 -5.471 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.196 10.682 -4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.843 9.899 -3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.188 7.156 -5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.939 7.357 -3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.356 6.463 -3.956 1.00 0.00 H new ATOM 1319 N THR A 91 -12.118 10.103 -3.585 1.00 0.00 N ATOM 1320 CA THR A 91 -12.955 11.288 -3.723 1.00 0.00 C ATOM 1321 C THR A 91 -13.307 11.875 -2.360 1.00 0.00 C ATOM 1322 O THR A 91 -13.362 13.094 -2.195 1.00 0.00 O ATOM 1323 CB THR A 91 -14.257 10.971 -4.485 1.00 0.00 C ATOM 1324 OG1 THR A 91 -13.953 10.527 -5.811 1.00 0.00 O ATOM 1325 CG2 THR A 91 -15.158 12.194 -4.547 1.00 0.00 C ATOM 0 H THR A 91 -12.482 9.273 -4.053 1.00 0.00 H new ATOM 0 HA THR A 91 -12.378 12.018 -4.292 1.00 0.00 H new ATOM 0 HB THR A 91 -14.782 10.180 -3.950 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.785 10.326 -6.288 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.071 11.947 -5.089 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.412 12.511 -3.535 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.639 13.003 -5.061 1.00 0.00 H new ATOM 1333 N PHE A 92 -13.542 11.000 -1.388 1.00 0.00 N ATOM 1334 CA PHE A 92 -13.889 11.433 -0.039 1.00 0.00 C ATOM 1335 C PHE A 92 -12.670 12.009 0.677 1.00 0.00 C ATOM 1336 O PHE A 92 -12.793 12.904 1.513 1.00 0.00 O ATOM 1337 CB PHE A 92 -14.460 10.263 0.763 1.00 0.00 C ATOM 1338 CG PHE A 92 -15.118 10.681 2.047 1.00 0.00 C ATOM 1339 CD1 PHE A 92 -14.373 10.833 3.205 1.00 0.00 C ATOM 1340 CD2 PHE A 92 -16.481 10.921 2.096 1.00 0.00 C ATOM 1341 CE1 PHE A 92 -14.975 11.219 4.388 1.00 0.00 C ATOM 1342 CE2 PHE A 92 -17.090 11.306 3.275 1.00 0.00 C ATOM 1343 CZ PHE A 92 -16.336 11.454 4.424 1.00 0.00 C ATOM 0 H PHE A 92 -13.499 9.988 -1.509 1.00 0.00 H new ATOM 0 HA PHE A 92 -14.645 12.214 -0.117 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -15.186 9.731 0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.657 9.560 0.987 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -13.309 10.648 3.183 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -17.075 10.806 1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -14.382 11.337 5.283 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -18.154 11.491 3.299 1.00 0.00 H new ATOM 0 HZ PHE A 92 -16.810 11.753 5.348 1.00 0.00 H new ATOM 1353 N HIS A 93 -11.494 11.487 0.343 1.00 0.00 N ATOM 1354 CA HIS A 93 -10.252 11.948 0.953 1.00 0.00 C ATOM 1355 C HIS A 93 -9.946 13.385 0.544 1.00 0.00 C ATOM 1356 O HIS A 93 -9.330 14.138 1.298 1.00 0.00 O ATOM 1357 CB HIS A 93 -9.093 11.034 0.556 1.00 0.00 C ATOM 1358 CG HIS A 93 -9.041 9.757 1.336 1.00 0.00 C ATOM 1359 ND1 HIS A 93 -9.721 9.571 2.522 1.00 0.00 N ATOM 1360 CD2 HIS A 93 -8.387 8.597 1.093 1.00 0.00 C ATOM 1361 CE1 HIS A 93 -9.485 8.353 2.975 1.00 0.00 C ATOM 1362 NE2 HIS A 93 -8.679 7.741 2.127 1.00 0.00 N ATOM 0 H HIS A 93 -11.375 10.745 -0.346 1.00 0.00 H new ATOM 0 HA HIS A 93 -10.375 11.916 2.036 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -9.174 10.799 -0.505 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -8.155 11.571 0.692 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -10.313 10.265 2.978 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -7.754 8.384 0.244 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -9.884 7.929 3.885 1.00 0.00 H new ATOM 1370 N GLN A 94 -10.380 13.759 -0.656 1.00 0.00 N ATOM 1371 CA GLN A 94 -10.151 15.105 -1.166 1.00 0.00 C ATOM 1372 C GLN A 94 -10.929 16.135 -0.353 1.00 0.00 C ATOM 1373 O GLN A 94 -10.677 17.336 -0.451 1.00 0.00 O ATOM 1374 CB GLN A 94 -10.552 15.191 -2.639 1.00 0.00 C ATOM 1375 CG GLN A 94 -9.497 14.649 -3.590 1.00 0.00 C ATOM 1376 CD GLN A 94 -10.043 14.387 -4.979 1.00 0.00 C ATOM 1377 OE1 GLN A 94 -10.889 13.513 -5.171 1.00 0.00 O ATOM 1378 NE2 GLN A 94 -9.560 15.144 -5.958 1.00 0.00 N ATOM 0 H GLN A 94 -10.892 13.148 -1.293 1.00 0.00 H new ATOM 0 HA GLN A 94 -9.087 15.325 -1.074 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -11.480 14.639 -2.787 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.756 16.232 -2.891 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.673 15.360 -3.656 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.088 13.724 -3.184 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.860 15.857 -5.753 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.890 15.013 -6.914 1.00 0.00 H new ATOM 1387 N GLN A 95 -11.876 15.656 0.447 1.00 0.00 N ATOM 1388 CA GLN A 95 -12.692 16.536 1.275 1.00 0.00 C ATOM 1389 C GLN A 95 -12.454 16.265 2.757 1.00 0.00 C ATOM 1390 O GLN A 95 -12.647 17.143 3.599 1.00 0.00 O ATOM 1391 CB GLN A 95 -14.175 16.353 0.944 1.00 0.00 C ATOM 1392 CG GLN A 95 -14.481 16.448 -0.542 1.00 0.00 C ATOM 1393 CD GLN A 95 -15.968 16.534 -0.827 1.00 0.00 C ATOM 1394 OE1 GLN A 95 -16.636 17.481 -0.413 1.00 0.00 O ATOM 1395 NE2 GLN A 95 -16.493 15.543 -1.538 1.00 0.00 N ATOM 0 H GLN A 95 -12.097 14.665 0.539 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.403 17.565 1.061 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.504 15.382 1.313 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -14.754 17.109 1.475 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.984 17.325 -0.956 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.067 15.577 -1.051 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -15.901 14.778 -1.861 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -17.488 15.547 -1.761 1.00 0.00 H new ATOM 1404 N LYS A 96 -12.034 15.044 3.070 1.00 0.00 N ATOM 1405 CA LYS A 96 -11.768 14.656 4.450 1.00 0.00 C ATOM 1406 C LYS A 96 -10.358 14.093 4.594 1.00 0.00 C ATOM 1407 O LYS A 96 -10.016 13.056 4.024 1.00 0.00 O ATOM 1408 CB LYS A 96 -12.792 13.620 4.917 1.00 0.00 C ATOM 1409 CG LYS A 96 -14.049 14.232 5.513 1.00 0.00 C ATOM 1410 CD LYS A 96 -13.909 14.447 7.010 1.00 0.00 C ATOM 1411 CE LYS A 96 -13.964 13.130 7.769 1.00 0.00 C ATOM 1412 NZ LYS A 96 -13.944 13.337 9.244 1.00 0.00 N ATOM 0 H LYS A 96 -11.870 14.305 2.386 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.851 15.546 5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.070 12.990 4.072 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.327 12.971 5.659 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.257 15.185 5.026 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.900 13.580 5.316 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.965 14.950 7.220 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.705 15.104 7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.868 12.588 7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.117 12.508 7.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.983 12.415 9.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.070 13.831 9.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.766 13.909 9.525 1.00 0.00 H new ATOM 1426 N PRO A 97 -9.518 14.788 5.376 1.00 0.00 N ATOM 1427 CA PRO A 97 -8.132 14.374 5.615 1.00 0.00 C ATOM 1428 C PRO A 97 -8.043 13.116 6.472 1.00 0.00 C ATOM 1429 O PRO A 97 -9.045 12.438 6.702 1.00 0.00 O ATOM 1430 CB PRO A 97 -7.528 15.569 6.356 1.00 0.00 C ATOM 1431 CG PRO A 97 -8.688 16.236 7.010 1.00 0.00 C ATOM 1432 CD PRO A 97 -9.858 16.032 6.087 1.00 0.00 C ATOM 0 HA PRO A 97 -7.615 14.124 4.688 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.791 15.247 7.091 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.019 16.245 5.669 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -8.885 15.803 7.991 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.492 17.297 7.163 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.793 15.937 6.639 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -9.978 16.869 5.399 1.00 0.00 H new ATOM 1440 N ILE A 98 -6.838 12.809 6.941 1.00 0.00 N ATOM 1441 CA ILE A 98 -6.619 11.633 7.774 1.00 0.00 C ATOM 1442 C ILE A 98 -6.588 12.004 9.252 1.00 0.00 C ATOM 1443 O ILE A 98 -6.046 13.043 9.629 1.00 0.00 O ATOM 1444 CB ILE A 98 -5.305 10.920 7.406 1.00 0.00 C ATOM 1445 CG1 ILE A 98 -4.990 11.115 5.921 1.00 0.00 C ATOM 1446 CG2 ILE A 98 -5.393 9.440 7.745 1.00 0.00 C ATOM 1447 CD1 ILE A 98 -6.155 10.797 5.011 1.00 0.00 C ATOM 0 H ILE A 98 -5.998 13.359 6.758 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.453 10.956 7.590 1.00 0.00 H new ATOM 0 HB ILE A 98 -4.496 11.359 7.989 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.681 12.147 5.756 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -4.145 10.482 5.651 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.457 8.950 7.479 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.574 9.322 8.813 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.212 8.987 7.186 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.861 10.957 3.974 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.450 9.757 5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.995 11.448 5.254 1.00 0.00 H new ATOM 1459 N GLU A 99 -7.171 11.148 10.085 1.00 0.00 N ATOM 1460 CA GLU A 99 -7.208 11.386 11.522 1.00 0.00 C ATOM 1461 C GLU A 99 -5.913 12.038 12.000 1.00 0.00 C ATOM 1462 O GLU A 99 -5.912 13.129 12.569 1.00 0.00 O ATOM 1463 CB GLU A 99 -7.438 10.073 12.274 1.00 0.00 C ATOM 1464 CG GLU A 99 -6.777 10.031 13.642 1.00 0.00 C ATOM 1465 CD GLU A 99 -7.304 8.905 14.510 1.00 0.00 C ATOM 1466 OE1 GLU A 99 -8.468 8.990 14.952 1.00 0.00 O ATOM 1467 OE2 GLU A 99 -6.551 7.936 14.746 1.00 0.00 O ATOM 0 H GLU A 99 -7.624 10.283 9.789 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.035 12.065 11.730 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.510 9.915 12.393 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.059 9.248 11.671 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.700 9.916 13.518 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.939 10.982 14.149 1.00 0.00 H new ATOM 1474 N PRO A 100 -4.785 11.354 11.764 1.00 0.00 N ATOM 1475 CA PRO A 100 -3.462 11.846 12.160 1.00 0.00 C ATOM 1476 C PRO A 100 -3.021 13.050 11.335 1.00 0.00 C ATOM 1477 O PRO A 100 -2.548 14.048 11.881 1.00 0.00 O ATOM 1478 CB PRO A 100 -2.545 10.650 11.894 1.00 0.00 C ATOM 1479 CG PRO A 100 -3.241 9.865 10.838 1.00 0.00 C ATOM 1480 CD PRO A 100 -4.712 10.046 11.090 1.00 0.00 C ATOM 0 HA PRO A 100 -3.447 12.190 13.194 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.559 10.974 11.561 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.398 10.056 12.796 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.969 10.220 9.844 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.963 8.812 10.887 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -5.282 10.040 10.161 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -5.114 9.249 11.716 1.00 0.00 H new ATOM 1488 N ARG A 101 -3.178 12.950 10.020 1.00 0.00 N ATOM 1489 CA ARG A 101 -2.794 14.031 9.120 1.00 0.00 C ATOM 1490 C ARG A 101 -4.021 14.801 8.642 1.00 0.00 C ATOM 1491 O ARG A 101 -4.868 14.259 7.932 1.00 0.00 O ATOM 1492 CB ARG A 101 -2.026 13.476 7.919 1.00 0.00 C ATOM 1493 CG ARG A 101 -0.694 12.844 8.288 1.00 0.00 C ATOM 1494 CD ARG A 101 0.220 13.837 8.988 1.00 0.00 C ATOM 1495 NE ARG A 101 1.525 13.258 9.294 1.00 0.00 N ATOM 1496 CZ ARG A 101 2.602 13.983 9.578 1.00 0.00 C ATOM 1497 NH1 ARG A 101 2.529 15.307 9.596 1.00 0.00 N ATOM 1498 NH2 ARG A 101 3.755 13.383 9.846 1.00 0.00 N ATOM 0 H ARG A 101 -3.569 12.131 9.553 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.148 14.716 9.670 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.644 12.733 7.415 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.851 14.282 7.206 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.865 11.985 8.937 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.206 12.471 7.388 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.352 14.715 8.356 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.252 14.176 9.910 1.00 0.00 H new ATOM 0 HE ARG A 101 1.615 12.242 9.290 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.644 15.772 9.392 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.357 15.861 9.814 1.00 0.00 H new ATOM 0 HH21 ARG A 101 3.815 12.365 9.834 1.00 0.00 H new ATOM 0 HH22 ARG A 101 4.581 13.940 10.064 1.00 0.00 H new ATOM 1512 N ARG A 102 -4.110 16.067 9.034 1.00 0.00 N ATOM 1513 CA ARG A 102 -5.233 16.912 8.647 1.00 0.00 C ATOM 1514 C ARG A 102 -5.018 17.500 7.256 1.00 0.00 C ATOM 1515 O ARG A 102 -5.664 18.476 6.877 1.00 0.00 O ATOM 1516 CB ARG A 102 -5.428 18.037 9.664 1.00 0.00 C ATOM 1517 CG ARG A 102 -4.216 18.944 9.809 1.00 0.00 C ATOM 1518 CD ARG A 102 -4.265 20.100 8.823 1.00 0.00 C ATOM 1519 NE ARG A 102 -3.368 21.187 9.209 1.00 0.00 N ATOM 1520 CZ ARG A 102 -2.075 21.215 8.906 1.00 0.00 C ATOM 1521 NH1 ARG A 102 -1.531 20.223 8.215 1.00 0.00 N ATOM 1522 NH2 ARG A 102 -1.324 22.238 9.292 1.00 0.00 N ATOM 0 H ARG A 102 -3.417 16.531 9.621 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.130 16.293 8.626 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.288 18.638 9.368 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.663 17.601 10.635 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.171 19.333 10.826 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.306 18.366 9.649 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.994 19.741 7.830 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.285 20.478 8.758 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.756 21.967 9.740 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -2.106 19.436 7.915 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -0.538 20.247 7.984 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.739 23.004 9.822 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -0.331 22.258 9.059 1.00 0.00 H new ATOM 1536 N GLU A 103 -4.102 16.899 6.501 1.00 0.00 N ATOM 1537 CA GLU A 103 -3.801 17.366 5.153 1.00 0.00 C ATOM 1538 C GLU A 103 -4.775 16.770 4.139 1.00 0.00 C ATOM 1539 O GLU A 103 -5.054 15.570 4.161 1.00 0.00 O ATOM 1540 CB GLU A 103 -2.364 17.000 4.772 1.00 0.00 C ATOM 1541 CG GLU A 103 -1.893 17.647 3.480 1.00 0.00 C ATOM 1542 CD GLU A 103 -1.706 19.146 3.613 1.00 0.00 C ATOM 1543 OE1 GLU A 103 -0.626 19.569 4.075 1.00 0.00 O ATOM 1544 OE2 GLU A 103 -2.639 19.895 3.255 1.00 0.00 O ATOM 0 H GLU A 103 -3.557 16.090 6.800 1.00 0.00 H new ATOM 0 HA GLU A 103 -3.909 18.451 5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.696 17.296 5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.287 15.917 4.675 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.951 17.193 3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.617 17.443 2.691 1.00 0.00 H new ATOM 1551 N LEU A 104 -5.289 17.616 3.255 1.00 0.00 N ATOM 1552 CA LEU A 104 -6.232 17.175 2.233 1.00 0.00 C ATOM 1553 C LEU A 104 -5.521 16.920 0.908 1.00 0.00 C ATOM 1554 O LEU A 104 -4.308 17.102 0.798 1.00 0.00 O ATOM 1555 CB LEU A 104 -7.333 18.219 2.041 1.00 0.00 C ATOM 1556 CG LEU A 104 -8.496 18.159 3.033 1.00 0.00 C ATOM 1557 CD1 LEU A 104 -9.608 19.105 2.610 1.00 0.00 C ATOM 1558 CD2 LEU A 104 -9.020 16.736 3.154 1.00 0.00 C ATOM 0 H LEU A 104 -5.069 18.612 3.225 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.681 16.240 2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.881 19.209 2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.735 18.113 1.034 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.132 18.475 4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.426 19.048 3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.225 20.125 2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.971 18.821 1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.847 16.712 3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.368 16.392 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.221 16.083 3.505 1.00 0.00 H new ATOM 1570 N LEU A 105 -6.283 16.501 -0.097 1.00 0.00 N ATOM 1571 CA LEU A 105 -5.727 16.225 -1.416 1.00 0.00 C ATOM 1572 C LEU A 105 -6.143 17.296 -2.419 1.00 0.00 C ATOM 1573 O LEU A 105 -7.002 18.131 -2.132 1.00 0.00 O ATOM 1574 CB LEU A 105 -6.182 14.848 -1.905 1.00 0.00 C ATOM 1575 CG LEU A 105 -6.103 13.713 -0.884 1.00 0.00 C ATOM 1576 CD1 LEU A 105 -6.636 12.420 -1.481 1.00 0.00 C ATOM 1577 CD2 LEU A 105 -4.672 13.530 -0.400 1.00 0.00 C ATOM 0 H LEU A 105 -7.288 16.345 -0.023 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.640 16.234 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.213 14.929 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.578 14.574 -2.770 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.724 13.976 -0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.572 11.623 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.676 12.557 -1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.043 12.151 -2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.635 12.718 0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.029 13.289 -1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.326 14.451 0.068 1.00 0.00 H new ATOM 1589 N THR A 106 -5.528 17.267 -3.597 1.00 0.00 N ATOM 1590 CA THR A 106 -5.835 18.234 -4.643 1.00 0.00 C ATOM 1591 C THR A 106 -6.069 17.543 -5.980 1.00 0.00 C ATOM 1592 O THR A 106 -7.143 17.662 -6.572 1.00 0.00 O ATOM 1593 CB THR A 106 -4.703 19.267 -4.803 1.00 0.00 C ATOM 1594 OG1 THR A 106 -3.616 18.692 -5.538 1.00 0.00 O ATOM 1595 CG2 THR A 106 -4.209 19.742 -3.445 1.00 0.00 C ATOM 0 H THR A 106 -4.814 16.584 -3.850 1.00 0.00 H new ATOM 0 HA THR A 106 -6.747 18.749 -4.339 1.00 0.00 H new ATOM 0 HB THR A 106 -5.097 20.124 -5.349 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.901 19.355 -5.637 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.410 20.471 -3.583 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.032 20.205 -2.900 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.831 18.892 -2.878 1.00 0.00 H new ATOM 1603 N GLN A 107 -5.060 16.819 -6.452 1.00 0.00 N ATOM 1604 CA GLN A 107 -5.157 16.107 -7.721 1.00 0.00 C ATOM 1605 C GLN A 107 -4.364 14.806 -7.678 1.00 0.00 C ATOM 1606 O GLN A 107 -3.389 14.669 -6.939 1.00 0.00 O ATOM 1607 CB GLN A 107 -4.650 16.989 -8.864 1.00 0.00 C ATOM 1608 CG GLN A 107 -3.192 17.394 -8.720 1.00 0.00 C ATOM 1609 CD GLN A 107 -2.739 18.343 -9.812 1.00 0.00 C ATOM 1610 OE1 GLN A 107 -2.294 17.914 -10.877 1.00 0.00 O ATOM 1611 NE2 GLN A 107 -2.849 19.640 -9.552 1.00 0.00 N ATOM 0 H GLN A 107 -4.165 16.710 -5.975 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.206 15.866 -7.894 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -4.779 16.457 -9.807 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.264 17.888 -8.918 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.044 17.867 -7.749 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.567 16.501 -8.738 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -3.224 19.950 -8.655 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.559 20.326 -10.249 1.00 0.00 H new ATOM 1620 N PRO A 108 -4.791 13.825 -8.488 1.00 0.00 N ATOM 1621 CA PRO A 108 -4.136 12.516 -8.560 1.00 0.00 C ATOM 1622 C PRO A 108 -2.761 12.592 -9.215 1.00 0.00 C ATOM 1623 O PRO A 108 -2.553 13.358 -10.157 1.00 0.00 O ATOM 1624 CB PRO A 108 -5.093 11.686 -9.419 1.00 0.00 C ATOM 1625 CG PRO A 108 -5.822 12.687 -10.249 1.00 0.00 C ATOM 1626 CD PRO A 108 -5.947 13.919 -9.395 1.00 0.00 C ATOM 0 HA PRO A 108 -3.957 12.095 -7.571 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.550 10.975 -10.042 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -5.780 11.108 -8.801 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.278 12.903 -11.168 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.803 12.312 -10.540 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.914 14.829 -9.995 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.888 13.933 -8.846 1.00 0.00 H new ATOM 1634 N CYS A 109 -1.826 11.793 -8.712 1.00 0.00 N ATOM 1635 CA CYS A 109 -0.471 11.770 -9.249 1.00 0.00 C ATOM 1636 C CYS A 109 -0.404 10.932 -10.522 1.00 0.00 C ATOM 1637 O CYS A 109 -1.262 10.083 -10.764 1.00 0.00 O ATOM 1638 CB CYS A 109 0.503 11.216 -8.208 1.00 0.00 C ATOM 1639 SG CYS A 109 2.209 11.082 -8.792 1.00 0.00 S ATOM 0 H CYS A 109 -1.982 11.153 -7.933 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.187 12.793 -9.494 1.00 0.00 H new ATOM 0 HB2 CYS A 109 0.481 11.858 -7.327 1.00 0.00 H new ATOM 0 HB3 CYS A 109 0.160 10.231 -7.893 1.00 0.00 H new ATOM 0 HG CYS A 109 3.013 11.022 -7.772 1.00 0.00 H new ATOM 1645 N ARG A 110 0.618 11.179 -11.334 1.00 0.00 N ATOM 1646 CA ARG A 110 0.795 10.450 -12.585 1.00 0.00 C ATOM 1647 C ARG A 110 2.079 9.625 -12.555 1.00 0.00 C ATOM 1648 O ARG A 110 3.124 10.102 -12.115 1.00 0.00 O ATOM 1649 CB ARG A 110 0.826 11.421 -13.766 1.00 0.00 C ATOM 1650 CG ARG A 110 -0.038 12.654 -13.564 1.00 0.00 C ATOM 1651 CD ARG A 110 -1.516 12.328 -13.708 1.00 0.00 C ATOM 1652 NE ARG A 110 -2.356 13.511 -13.539 1.00 0.00 N ATOM 1653 CZ ARG A 110 -3.599 13.602 -14.002 1.00 0.00 C ATOM 1654 NH1 ARG A 110 -4.142 12.585 -14.656 1.00 0.00 N ATOM 1655 NH2 ARG A 110 -4.300 14.712 -13.810 1.00 0.00 N ATOM 0 H ARG A 110 1.337 11.879 -11.148 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.050 9.772 -12.705 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.855 11.734 -13.941 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.495 10.899 -14.663 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.149 13.072 -12.575 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.240 13.417 -14.291 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.697 11.892 -14.690 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -1.795 11.577 -12.969 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.968 14.311 -13.039 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.606 11.730 -14.805 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.096 12.657 -15.010 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.885 15.496 -13.307 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.254 14.781 -14.166 1.00 0.00 H new ATOM 1669 N GLN A 111 1.990 8.385 -13.028 1.00 0.00 N ATOM 1670 CA GLN A 111 3.145 7.495 -13.055 1.00 0.00 C ATOM 1671 C GLN A 111 4.258 8.073 -13.924 1.00 0.00 C ATOM 1672 O GLN A 111 4.005 8.872 -14.825 1.00 0.00 O ATOM 1673 CB GLN A 111 2.738 6.115 -13.577 1.00 0.00 C ATOM 1674 CG GLN A 111 2.543 6.068 -15.083 1.00 0.00 C ATOM 1675 CD GLN A 111 1.647 4.926 -15.520 1.00 0.00 C ATOM 1676 OE1 GLN A 111 2.124 3.893 -15.992 1.00 0.00 O ATOM 1677 NE2 GLN A 111 0.341 5.104 -15.365 1.00 0.00 N ATOM 0 H GLN A 111 1.132 7.975 -13.397 1.00 0.00 H new ATOM 0 HA GLN A 111 3.520 7.395 -12.036 1.00 0.00 H new ATOM 0 HB2 GLN A 111 3.501 5.389 -13.295 1.00 0.00 H new ATOM 0 HB3 GLN A 111 1.812 5.810 -13.089 1.00 0.00 H new ATOM 0 HG2 GLN A 111 2.113 7.011 -15.419 1.00 0.00 H new ATOM 0 HG3 GLN A 111 3.514 5.969 -15.568 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -0.012 5.976 -14.970 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -0.310 4.369 -15.641 1.00 0.00 H new ATOM 1686 N LYS A 112 5.490 7.662 -13.646 1.00 0.00 N ATOM 1687 CA LYS A 112 6.643 8.137 -14.402 1.00 0.00 C ATOM 1688 C LYS A 112 6.495 7.809 -15.884 1.00 0.00 C ATOM 1689 O LYS A 112 5.590 7.075 -16.280 1.00 0.00 O ATOM 1690 CB LYS A 112 7.929 7.512 -13.856 1.00 0.00 C ATOM 1691 CG LYS A 112 8.490 8.234 -12.644 1.00 0.00 C ATOM 1692 CD LYS A 112 9.060 9.593 -13.018 1.00 0.00 C ATOM 1693 CE LYS A 112 9.683 10.287 -11.817 1.00 0.00 C ATOM 1694 NZ LYS A 112 10.737 11.258 -12.221 1.00 0.00 N ATOM 0 H LYS A 112 5.716 7.001 -12.903 1.00 0.00 H new ATOM 0 HA LYS A 112 6.697 9.220 -14.292 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.734 6.473 -13.591 1.00 0.00 H new ATOM 0 HB3 LYS A 112 8.682 7.504 -14.644 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.704 8.361 -11.899 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.269 7.625 -12.185 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.811 9.471 -13.799 1.00 0.00 H new ATOM 0 HD3 LYS A 112 8.269 10.219 -13.431 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.907 10.807 -11.255 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.114 9.541 -11.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.136 11.709 -11.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.491 10.758 -12.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.321 11.985 -12.837 1.00 0.00 H new