USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 780 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 78 THR OG1 : rot -84:sc= 0.537 USER MOD Set 1.2: A 79 HIS : no HD1:sc= 0 X(o=0.54,f=0.23) USER MOD Set 2.1: A 49 TYR OH : rot 80:sc= 1.06 USER MOD Set 2.2: A 66 LYS NZ :NH3+ 177:sc= 2.33 (180deg=1.05) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0707 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 89:sc= 1.2 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0549 K(o=-0.055,f=-1.1) USER MOD Single : A 27 HIS : no HD1:sc= -0.119 K(o=-0.12,f=-0.65) USER MOD Single : A 30 LYS NZ :NH3+ 159:sc= -0.102 (180deg=-0.612) USER MOD Single : A 38 SER OG : rot -119:sc= 0.0507 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -92:sc= 0.118 USER MOD Single : A 47 ASN : amide:sc= 1.18 K(o=1.2,f=-0.68) USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= 1.23 (180deg=0.536) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0612 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.624 K(o=-0.62,f=-1.3) USER MOD Single : A 67 LYS NZ :NH3+ -102:sc= -4.32! (180deg=-6.8!) USER MOD Single : A 72 LYS NZ :NH3+ -169:sc= -0.0139 (180deg=-0.171) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.0842 X(o=-0.084,f=-0.0073) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.0525 K(o=-0.053,f=-1.4!) USER MOD Single : A 113 ASN :FLIP amide:sc= -0.0314 F(o=-0.79,f=-0.031) USER MOD Single : A 114 TYR OH : rot 34:sc= 1.26 USER MOD Single : B 396 LYS NZ :NH3+ 143:sc= 0.658 (180deg=-1.04!) USER MOD ----------------------------------------------------------------- ATOM 139 N PHE A 14 -4.899 12.147 -10.324 1.00 0.00 N ATOM 140 CA PHE A 14 -4.092 11.500 -9.294 1.00 0.00 C ATOM 141 C PHE A 14 -4.771 11.622 -7.934 1.00 0.00 C ATOM 142 O PHE A 14 -4.108 11.691 -6.899 1.00 0.00 O ATOM 143 CB PHE A 14 -2.694 12.122 -9.241 1.00 0.00 C ATOM 144 CG PHE A 14 -1.757 11.607 -10.303 1.00 0.00 C ATOM 145 CD1 PHE A 14 -1.866 12.035 -11.618 1.00 0.00 C ATOM 146 CD2 PHE A 14 -0.759 10.701 -9.980 1.00 0.00 C ATOM 147 CE1 PHE A 14 -0.996 11.571 -12.587 1.00 0.00 C ATOM 148 CE2 PHE A 14 0.111 10.233 -10.944 1.00 0.00 C ATOM 149 CZ PHE A 14 -0.008 10.668 -12.249 1.00 0.00 C ATOM 0 HA PHE A 14 -3.995 10.444 -9.545 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -2.784 13.204 -9.343 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -2.258 11.929 -8.261 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.639 12.739 -11.888 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.661 10.357 -8.961 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.089 11.914 -13.607 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.884 9.527 -10.678 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.671 10.302 -13.005 1.00 0.00 H new ATOM 159 N SER A 15 -6.098 11.628 -7.953 1.00 0.00 N ATOM 160 CA SER A 15 -6.898 11.757 -6.742 1.00 0.00 C ATOM 161 C SER A 15 -6.596 10.640 -5.740 1.00 0.00 C ATOM 162 O SER A 15 -6.334 10.904 -4.564 1.00 0.00 O ATOM 163 CB SER A 15 -8.380 11.750 -7.118 1.00 0.00 C ATOM 164 OG SER A 15 -8.576 12.348 -8.393 1.00 0.00 O ATOM 0 H SER A 15 -6.649 11.544 -8.807 1.00 0.00 H new ATOM 0 HA SER A 15 -6.643 12.700 -6.258 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.753 10.726 -7.130 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.954 12.290 -6.365 1.00 0.00 H new ATOM 0 HG SER A 15 -9.530 12.333 -8.618 1.00 0.00 H new ATOM 170 N GLU A 16 -6.602 9.396 -6.210 1.00 0.00 N ATOM 171 CA GLU A 16 -6.332 8.260 -5.339 1.00 0.00 C ATOM 172 C GLU A 16 -4.866 8.221 -4.952 1.00 0.00 C ATOM 173 O GLU A 16 -4.518 7.903 -3.814 1.00 0.00 O ATOM 174 CB GLU A 16 -6.732 6.951 -6.013 1.00 0.00 C ATOM 175 CG GLU A 16 -8.214 6.665 -5.906 1.00 0.00 C ATOM 176 CD GLU A 16 -8.704 6.704 -4.470 1.00 0.00 C ATOM 177 OE1 GLU A 16 -8.105 6.022 -3.615 1.00 0.00 O ATOM 178 OE2 GLU A 16 -9.685 7.425 -4.189 1.00 0.00 O ATOM 0 H GLU A 16 -6.790 9.151 -7.182 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.930 8.380 -4.435 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.449 6.988 -7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.175 6.130 -5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.767 7.396 -6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.425 5.685 -6.333 1.00 0.00 H new ATOM 185 N TYR A 17 -4.013 8.565 -5.905 1.00 0.00 N ATOM 186 CA TYR A 17 -2.576 8.585 -5.674 1.00 0.00 C ATOM 187 C TYR A 17 -2.230 9.568 -4.561 1.00 0.00 C ATOM 188 O TYR A 17 -1.327 9.318 -3.767 1.00 0.00 O ATOM 189 CB TYR A 17 -1.827 8.953 -6.957 1.00 0.00 C ATOM 190 CG TYR A 17 -1.927 7.896 -8.032 1.00 0.00 C ATOM 191 CD1 TYR A 17 -1.111 6.771 -8.006 1.00 0.00 C ATOM 192 CD2 TYR A 17 -2.836 8.022 -9.072 1.00 0.00 C ATOM 193 CE1 TYR A 17 -1.200 5.801 -8.989 1.00 0.00 C ATOM 194 CE2 TYR A 17 -2.932 7.060 -10.056 1.00 0.00 C ATOM 195 CZ TYR A 17 -2.112 5.952 -10.012 1.00 0.00 C ATOM 196 OH TYR A 17 -2.211 4.991 -10.993 1.00 0.00 O ATOM 0 H TYR A 17 -4.292 8.835 -6.848 1.00 0.00 H new ATOM 0 HA TYR A 17 -2.265 7.586 -5.368 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.222 9.893 -7.343 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.777 9.122 -6.720 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.396 6.652 -7.206 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.480 8.888 -9.112 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.560 4.932 -8.955 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.647 7.174 -10.858 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.902 5.251 -11.637 1.00 0.00 H new ATOM 206 N SER A 18 -2.965 10.675 -4.504 1.00 0.00 N ATOM 207 CA SER A 18 -2.748 11.693 -3.480 1.00 0.00 C ATOM 208 C SER A 18 -3.110 11.166 -2.092 1.00 0.00 C ATOM 209 O SER A 18 -2.574 11.621 -1.080 1.00 0.00 O ATOM 210 CB SER A 18 -3.562 12.946 -3.803 1.00 0.00 C ATOM 211 OG SER A 18 -3.217 13.458 -5.082 1.00 0.00 O ATOM 0 H SER A 18 -3.718 10.891 -5.157 1.00 0.00 H new ATOM 0 HA SER A 18 -1.689 11.950 -3.475 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.626 12.711 -3.776 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.384 13.706 -3.042 1.00 0.00 H new ATOM 0 HG SER A 18 -3.778 13.035 -5.766 1.00 0.00 H new ATOM 217 N ARG A 19 -4.031 10.215 -2.050 1.00 0.00 N ATOM 218 CA ARG A 19 -4.452 9.614 -0.791 1.00 0.00 C ATOM 219 C ARG A 19 -3.428 8.586 -0.340 1.00 0.00 C ATOM 220 O ARG A 19 -3.016 8.560 0.821 1.00 0.00 O ATOM 221 CB ARG A 19 -5.819 8.946 -0.944 1.00 0.00 C ATOM 222 CG ARG A 19 -6.956 9.927 -1.161 1.00 0.00 C ATOM 223 CD ARG A 19 -7.161 10.818 0.052 1.00 0.00 C ATOM 224 NE ARG A 19 -8.291 11.723 -0.131 1.00 0.00 N ATOM 225 CZ ARG A 19 -8.566 12.749 0.668 1.00 0.00 C ATOM 226 NH1 ARG A 19 -7.801 13.005 1.723 1.00 0.00 N ATOM 227 NH2 ARG A 19 -9.613 13.518 0.417 1.00 0.00 N ATOM 0 H ARG A 19 -4.502 9.842 -2.874 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.529 10.402 -0.041 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.783 8.253 -1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.026 8.354 -0.052 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.745 10.543 -2.035 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.875 9.380 -1.371 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.328 10.200 0.934 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.256 11.397 0.236 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.911 11.557 -0.924 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.996 12.412 1.925 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.019 13.794 2.331 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.208 13.323 -0.389 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.826 14.306 1.029 1.00 0.00 H new ATOM 241 N ILE A 20 -3.018 7.748 -1.282 1.00 0.00 N ATOM 242 CA ILE A 20 -2.041 6.700 -1.021 1.00 0.00 C ATOM 243 C ILE A 20 -0.696 7.305 -0.611 1.00 0.00 C ATOM 244 O ILE A 20 -0.077 6.857 0.354 1.00 0.00 O ATOM 245 CB ILE A 20 -1.865 5.793 -2.264 1.00 0.00 C ATOM 246 CG1 ILE A 20 -2.859 4.630 -2.229 1.00 0.00 C ATOM 247 CG2 ILE A 20 -0.447 5.254 -2.363 1.00 0.00 C ATOM 248 CD1 ILE A 20 -4.309 5.044 -2.373 1.00 0.00 C ATOM 0 H ILE A 20 -3.352 7.775 -2.245 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.412 6.090 -0.198 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.061 6.405 -3.144 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.612 3.932 -3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.739 4.093 -1.288 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.359 4.622 -3.246 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.254 6.085 -2.441 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.218 4.668 -1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.945 4.160 -2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.578 5.717 -1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.449 5.554 -3.326 1.00 0.00 H new ATOM 260 N SER A 21 -0.250 8.319 -1.348 1.00 0.00 N ATOM 261 CA SER A 21 1.018 8.981 -1.046 1.00 0.00 C ATOM 262 C SER A 21 1.001 9.537 0.376 1.00 0.00 C ATOM 263 O SER A 21 1.994 9.455 1.103 1.00 0.00 O ATOM 264 CB SER A 21 1.299 10.103 -2.051 1.00 0.00 C ATOM 265 OG SER A 21 0.256 11.066 -2.055 1.00 0.00 O ATOM 0 H SER A 21 -0.744 8.699 -2.155 1.00 0.00 H new ATOM 0 HA SER A 21 1.816 8.242 -1.125 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.243 10.588 -1.803 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.410 9.680 -3.049 1.00 0.00 H new ATOM 0 HG SER A 21 0.463 11.770 -2.704 1.00 0.00 H new ATOM 271 N ASN A 22 -0.146 10.086 0.771 1.00 0.00 N ATOM 272 CA ASN A 22 -0.312 10.641 2.107 1.00 0.00 C ATOM 273 C ASN A 22 -0.229 9.523 3.140 1.00 0.00 C ATOM 274 O ASN A 22 0.406 9.675 4.174 1.00 0.00 O ATOM 275 CB ASN A 22 -1.646 11.378 2.229 1.00 0.00 C ATOM 276 CG ASN A 22 -1.541 12.636 3.070 1.00 0.00 C ATOM 277 OD1 ASN A 22 -0.626 12.786 3.879 1.00 0.00 O ATOM 278 ND2 ASN A 22 -2.478 13.551 2.888 1.00 0.00 N ATOM 0 H ASN A 22 -0.975 10.157 0.181 1.00 0.00 H new ATOM 0 HA ASN A 22 0.488 11.359 2.289 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.005 11.639 1.234 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.387 10.711 2.670 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.457 14.416 3.428 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.221 13.392 2.208 1.00 0.00 H new ATOM 285 N LEU A 23 -0.865 8.395 2.842 1.00 0.00 N ATOM 286 CA LEU A 23 -0.840 7.230 3.724 1.00 0.00 C ATOM 287 C LEU A 23 0.613 6.776 3.925 1.00 0.00 C ATOM 288 O LEU A 23 1.024 6.441 5.040 1.00 0.00 O ATOM 289 CB LEU A 23 -1.773 6.131 3.125 1.00 0.00 C ATOM 290 CG LEU A 23 -1.436 4.643 3.334 1.00 0.00 C ATOM 291 CD1 LEU A 23 -0.278 4.188 2.461 1.00 0.00 C ATOM 292 CD2 LEU A 23 -1.154 4.344 4.786 1.00 0.00 C ATOM 0 H LEU A 23 -1.409 8.261 1.990 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.224 7.465 4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.772 6.298 3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.830 6.303 2.050 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.317 4.077 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.078 3.132 2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.535 4.332 1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.610 4.773 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.920 3.286 4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.307 4.942 5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.031 4.588 5.385 1.00 0.00 H new ATOM 304 N ILE A 24 1.396 6.827 2.855 1.00 0.00 N ATOM 305 CA ILE A 24 2.796 6.429 2.906 1.00 0.00 C ATOM 306 C ILE A 24 3.609 7.385 3.780 1.00 0.00 C ATOM 307 O ILE A 24 4.294 6.954 4.714 1.00 0.00 O ATOM 308 CB ILE A 24 3.403 6.349 1.479 1.00 0.00 C ATOM 309 CG1 ILE A 24 3.157 4.959 0.885 1.00 0.00 C ATOM 310 CG2 ILE A 24 4.896 6.668 1.475 1.00 0.00 C ATOM 311 CD1 ILE A 24 3.886 3.854 1.626 1.00 0.00 C ATOM 0 H ILE A 24 1.083 7.142 1.937 1.00 0.00 H new ATOM 0 HA ILE A 24 2.841 5.436 3.354 1.00 0.00 H new ATOM 0 HB ILE A 24 2.908 7.101 0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.087 4.750 0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.471 4.956 -0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.280 6.600 0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.053 7.677 1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.422 5.955 2.109 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.669 2.895 1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.959 4.040 1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.554 3.831 2.664 1.00 0.00 H new ATOM 323 N VAL A 25 3.499 8.681 3.503 1.00 0.00 N ATOM 324 CA VAL A 25 4.244 9.683 4.253 1.00 0.00 C ATOM 325 C VAL A 25 3.754 9.784 5.700 1.00 0.00 C ATOM 326 O VAL A 25 4.559 9.903 6.620 1.00 0.00 O ATOM 327 CB VAL A 25 4.196 11.072 3.560 1.00 0.00 C ATOM 328 CG1 VAL A 25 2.774 11.600 3.451 1.00 0.00 C ATOM 329 CG2 VAL A 25 5.076 12.072 4.290 1.00 0.00 C ATOM 0 H VAL A 25 2.903 9.060 2.767 1.00 0.00 H new ATOM 0 HA VAL A 25 5.283 9.355 4.272 1.00 0.00 H new ATOM 0 HB VAL A 25 4.580 10.941 2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.784 12.573 2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.172 10.905 2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.346 11.701 4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.026 13.037 3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.728 12.181 5.317 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.106 11.717 4.292 1.00 0.00 H new ATOM 339 N LEU A 26 2.443 9.695 5.904 1.00 0.00 N ATOM 340 CA LEU A 26 1.865 9.792 7.242 1.00 0.00 C ATOM 341 C LEU A 26 2.304 8.637 8.127 1.00 0.00 C ATOM 342 O LEU A 26 2.803 8.847 9.230 1.00 0.00 O ATOM 343 CB LEU A 26 0.341 9.829 7.170 1.00 0.00 C ATOM 344 CG LEU A 26 -0.255 11.196 6.852 1.00 0.00 C ATOM 345 CD1 LEU A 26 -1.714 11.053 6.471 1.00 0.00 C ATOM 346 CD2 LEU A 26 -0.101 12.137 8.038 1.00 0.00 C ATOM 0 H LEU A 26 1.760 9.556 5.160 1.00 0.00 H new ATOM 0 HA LEU A 26 2.228 10.720 7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.011 9.120 6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.061 9.487 8.123 1.00 0.00 H new ATOM 0 HG LEU A 26 0.285 11.623 6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.129 12.035 6.246 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.800 10.413 5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.264 10.608 7.300 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.532 13.107 7.791 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.617 11.720 8.903 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.957 12.259 8.271 1.00 0.00 H new ATOM 358 N HIS A 27 2.135 7.419 7.636 1.00 0.00 N ATOM 359 CA HIS A 27 2.504 6.243 8.407 1.00 0.00 C ATOM 360 C HIS A 27 3.989 6.262 8.751 1.00 0.00 C ATOM 361 O HIS A 27 4.365 6.063 9.901 1.00 0.00 O ATOM 362 CB HIS A 27 2.154 4.959 7.650 1.00 0.00 C ATOM 363 CG HIS A 27 2.455 3.713 8.431 1.00 0.00 C ATOM 364 ND1 HIS A 27 3.449 2.822 8.077 1.00 0.00 N ATOM 365 CD2 HIS A 27 1.891 3.212 9.559 1.00 0.00 C ATOM 366 CE1 HIS A 27 3.482 1.834 8.954 1.00 0.00 C ATOM 367 NE2 HIS A 27 2.549 2.047 9.857 1.00 0.00 N ATOM 0 H HIS A 27 1.747 7.220 6.714 1.00 0.00 H new ATOM 0 HA HIS A 27 1.933 6.263 9.335 1.00 0.00 H new ATOM 0 HB2 HIS A 27 1.095 4.973 7.394 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.708 4.935 6.712 1.00 0.00 H new ATOM 0 HD2 HIS A 27 1.076 3.649 10.117 1.00 0.00 H new ATOM 0 HE1 HIS A 27 4.160 0.994 8.933 1.00 0.00 H new ATOM 0 HE2 HIS A 27 2.347 1.441 10.653 1.00 0.00 H new ATOM 376 N LEU A 28 4.831 6.519 7.759 1.00 0.00 N ATOM 377 CA LEU A 28 6.271 6.541 7.982 1.00 0.00 C ATOM 378 C LEU A 28 6.681 7.685 8.913 1.00 0.00 C ATOM 379 O LEU A 28 7.499 7.487 9.812 1.00 0.00 O ATOM 380 CB LEU A 28 7.017 6.651 6.648 1.00 0.00 C ATOM 381 CG LEU A 28 8.397 5.978 6.596 1.00 0.00 C ATOM 382 CD1 LEU A 28 9.447 6.834 7.287 1.00 0.00 C ATOM 383 CD2 LEU A 28 8.342 4.594 7.224 1.00 0.00 C ATOM 0 H LEU A 28 4.545 6.714 6.799 1.00 0.00 H new ATOM 0 HA LEU A 28 6.543 5.603 8.466 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.392 6.217 5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.140 7.707 6.408 1.00 0.00 H new ATOM 0 HG LEU A 28 8.681 5.872 5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.415 6.335 7.236 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.512 7.802 6.790 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.168 6.980 8.331 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.329 4.134 7.177 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.030 4.679 8.265 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.627 3.976 6.680 1.00 0.00 H new ATOM 395 N ARG A 29 6.107 8.871 8.718 1.00 0.00 N ATOM 396 CA ARG A 29 6.454 10.025 9.547 1.00 0.00 C ATOM 397 C ARG A 29 6.123 9.774 11.015 1.00 0.00 C ATOM 398 O ARG A 29 6.852 10.213 11.899 1.00 0.00 O ATOM 399 CB ARG A 29 5.765 11.305 9.048 1.00 0.00 C ATOM 400 CG ARG A 29 4.302 11.432 9.446 1.00 0.00 C ATOM 401 CD ARG A 29 3.653 12.649 8.813 1.00 0.00 C ATOM 402 NE ARG A 29 4.167 13.896 9.373 1.00 0.00 N ATOM 403 CZ ARG A 29 3.631 15.094 9.145 1.00 0.00 C ATOM 404 NH1 ARG A 29 2.551 15.208 8.381 1.00 0.00 N ATOM 405 NH2 ARG A 29 4.183 16.179 9.675 1.00 0.00 N ATOM 0 H ARG A 29 5.406 9.058 8.001 1.00 0.00 H new ATOM 0 HA ARG A 29 7.531 10.169 9.463 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.309 12.168 9.432 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.837 11.341 7.961 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.763 10.534 9.144 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.224 11.501 10.531 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.828 12.635 7.737 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.574 12.603 8.961 1.00 0.00 H new ATOM 0 HE ARG A 29 4.988 13.847 9.976 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.129 14.377 7.967 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.143 16.127 8.208 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.017 16.095 10.256 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.773 17.097 9.501 1.00 0.00 H new ATOM 419 N LYS A 30 5.033 9.060 11.277 1.00 0.00 N ATOM 420 CA LYS A 30 4.648 8.758 12.650 1.00 0.00 C ATOM 421 C LYS A 30 5.623 7.755 13.246 1.00 0.00 C ATOM 422 O LYS A 30 6.043 7.877 14.398 1.00 0.00 O ATOM 423 CB LYS A 30 3.223 8.203 12.711 1.00 0.00 C ATOM 424 CG LYS A 30 2.165 9.181 12.228 1.00 0.00 C ATOM 425 CD LYS A 30 2.235 10.494 12.983 1.00 0.00 C ATOM 426 CE LYS A 30 1.066 11.394 12.634 1.00 0.00 C ATOM 427 NZ LYS A 30 -0.239 10.737 12.905 1.00 0.00 N ATOM 0 H LYS A 30 4.407 8.684 10.565 1.00 0.00 H new ATOM 0 HA LYS A 30 4.677 9.682 13.228 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.170 7.297 12.108 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.998 7.916 13.738 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.298 9.366 11.162 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.176 8.740 12.354 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.239 10.299 14.055 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.170 11.002 12.748 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.134 12.317 13.209 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.122 11.670 11.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.979 11.461 13.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.477 10.100 12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.175 10.189 13.786 1.00 0.00 H new ATOM 441 N VAL A 31 5.997 6.777 12.433 1.00 0.00 N ATOM 442 CA VAL A 31 6.927 5.741 12.845 1.00 0.00 C ATOM 443 C VAL A 31 8.297 6.334 13.183 1.00 0.00 C ATOM 444 O VAL A 31 8.831 6.089 14.264 1.00 0.00 O ATOM 445 CB VAL A 31 7.073 4.666 11.744 1.00 0.00 C ATOM 446 CG1 VAL A 31 8.197 3.704 12.064 1.00 0.00 C ATOM 447 CG2 VAL A 31 5.769 3.905 11.566 1.00 0.00 C ATOM 0 H VAL A 31 5.665 6.681 11.473 1.00 0.00 H new ATOM 0 HA VAL A 31 6.523 5.272 13.742 1.00 0.00 H new ATOM 0 HB VAL A 31 7.315 5.175 10.811 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.275 2.960 11.272 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.135 4.253 12.140 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.991 3.205 13.011 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.890 3.152 10.787 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.502 3.417 12.503 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.979 4.599 11.280 1.00 0.00 H new ATOM 457 N GLU A 32 8.844 7.138 12.276 1.00 0.00 N ATOM 458 CA GLU A 32 10.153 7.755 12.489 1.00 0.00 C ATOM 459 C GLU A 32 10.121 8.747 13.648 1.00 0.00 C ATOM 460 O GLU A 32 11.126 8.961 14.324 1.00 0.00 O ATOM 461 CB GLU A 32 10.643 8.442 11.207 1.00 0.00 C ATOM 462 CG GLU A 32 9.749 9.571 10.709 1.00 0.00 C ATOM 463 CD GLU A 32 10.348 10.945 10.944 1.00 0.00 C ATOM 464 OE1 GLU A 32 11.401 11.248 10.351 1.00 0.00 O ATOM 465 OE2 GLU A 32 9.767 11.736 11.716 1.00 0.00 O ATOM 0 H GLU A 32 8.404 7.378 11.388 1.00 0.00 H new ATOM 0 HA GLU A 32 10.854 6.961 12.749 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.643 8.839 11.383 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.731 7.693 10.420 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.564 9.438 9.643 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.783 9.511 11.210 1.00 0.00 H new ATOM 472 N GLU A 33 8.960 9.340 13.880 1.00 0.00 N ATOM 473 CA GLU A 33 8.793 10.312 14.949 1.00 0.00 C ATOM 474 C GLU A 33 8.801 9.646 16.326 1.00 0.00 C ATOM 475 O GLU A 33 9.276 10.227 17.305 1.00 0.00 O ATOM 476 CB GLU A 33 7.484 11.077 14.748 1.00 0.00 C ATOM 477 CG GLU A 33 7.349 12.312 15.619 1.00 0.00 C ATOM 478 CD GLU A 33 6.255 13.235 15.137 1.00 0.00 C ATOM 479 OE1 GLU A 33 6.516 14.038 14.218 1.00 0.00 O ATOM 480 OE2 GLU A 33 5.124 13.156 15.666 1.00 0.00 O ATOM 0 H GLU A 33 8.114 9.163 13.338 1.00 0.00 H new ATOM 0 HA GLU A 33 9.635 11.003 14.910 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.405 11.373 13.702 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.649 10.407 14.954 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.140 12.009 16.645 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.297 12.851 15.632 1.00 0.00 H new ATOM 487 N GLU A 34 8.287 8.429 16.400 1.00 0.00 N ATOM 488 CA GLU A 34 8.216 7.719 17.669 1.00 0.00 C ATOM 489 C GLU A 34 9.310 6.654 17.810 1.00 0.00 C ATOM 490 O GLU A 34 10.142 6.728 18.712 1.00 0.00 O ATOM 491 CB GLU A 34 6.839 7.075 17.831 1.00 0.00 C ATOM 492 CG GLU A 34 5.690 8.073 17.776 1.00 0.00 C ATOM 493 CD GLU A 34 4.339 7.427 18.004 1.00 0.00 C ATOM 494 OE1 GLU A 34 3.747 6.915 17.034 1.00 0.00 O ATOM 495 OE2 GLU A 34 3.868 7.418 19.162 1.00 0.00 O ATOM 0 H GLU A 34 7.915 7.914 15.602 1.00 0.00 H new ATOM 0 HA GLU A 34 8.378 8.454 18.457 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.701 6.330 17.047 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.804 6.545 18.783 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.850 8.846 18.528 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.691 8.568 16.805 1.00 0.00 H new ATOM 502 N GLU A 35 9.315 5.675 16.916 1.00 0.00 N ATOM 503 CA GLU A 35 10.282 4.583 16.984 1.00 0.00 C ATOM 504 C GLU A 35 11.547 4.873 16.182 1.00 0.00 C ATOM 505 O GLU A 35 12.585 4.248 16.414 1.00 0.00 O ATOM 506 CB GLU A 35 9.651 3.294 16.463 1.00 0.00 C ATOM 507 CG GLU A 35 8.338 2.933 17.136 1.00 0.00 C ATOM 508 CD GLU A 35 7.667 1.748 16.480 1.00 0.00 C ATOM 509 OE1 GLU A 35 6.898 1.944 15.522 1.00 0.00 O ATOM 510 OE2 GLU A 35 7.921 0.606 16.914 1.00 0.00 O ATOM 0 H GLU A 35 8.662 5.613 16.135 1.00 0.00 H new ATOM 0 HA GLU A 35 10.564 4.476 18.031 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.483 3.392 15.390 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.356 2.474 16.602 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.520 2.709 18.187 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.667 3.792 17.104 1.00 0.00 H new ATOM 517 N ASP A 36 11.443 5.804 15.234 1.00 0.00 N ATOM 518 CA ASP A 36 12.558 6.192 14.355 1.00 0.00 C ATOM 519 C ASP A 36 12.813 5.110 13.309 1.00 0.00 C ATOM 520 O ASP A 36 12.747 5.367 12.106 1.00 0.00 O ATOM 521 CB ASP A 36 13.842 6.486 15.144 1.00 0.00 C ATOM 522 CG ASP A 36 15.002 6.850 14.239 1.00 0.00 C ATOM 523 OD1 ASP A 36 15.035 7.993 13.734 1.00 0.00 O ATOM 524 OD2 ASP A 36 15.891 5.995 14.022 1.00 0.00 O ATOM 0 H ASP A 36 10.580 6.316 15.049 1.00 0.00 H new ATOM 0 HA ASP A 36 12.268 7.114 13.852 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.658 7.303 15.842 1.00 0.00 H new ATOM 0 HB3 ASP A 36 14.108 5.612 15.739 1.00 0.00 H new ATOM 529 N GLU A 37 13.096 3.903 13.772 1.00 0.00 N ATOM 530 CA GLU A 37 13.333 2.774 12.888 1.00 0.00 C ATOM 531 C GLU A 37 12.013 2.085 12.563 1.00 0.00 C ATOM 532 O GLU A 37 11.099 2.718 12.045 1.00 0.00 O ATOM 533 CB GLU A 37 14.320 1.793 13.528 1.00 0.00 C ATOM 534 CG GLU A 37 14.096 1.569 15.014 1.00 0.00 C ATOM 535 CD GLU A 37 14.595 0.216 15.466 1.00 0.00 C ATOM 536 OE1 GLU A 37 13.961 -0.797 15.110 1.00 0.00 O ATOM 537 OE2 GLU A 37 15.624 0.159 16.169 1.00 0.00 O ATOM 0 H GLU A 37 13.168 3.679 14.765 1.00 0.00 H new ATOM 0 HA GLU A 37 13.773 3.135 11.958 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.250 0.835 13.012 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.334 2.163 13.376 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.605 2.350 15.579 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.033 1.656 15.237 1.00 0.00 H new ATOM 544 N SER A 38 11.927 0.799 12.875 1.00 0.00 N ATOM 545 CA SER A 38 10.720 0.013 12.631 1.00 0.00 C ATOM 546 C SER A 38 10.288 0.104 11.170 1.00 0.00 C ATOM 547 O SER A 38 9.173 0.529 10.861 1.00 0.00 O ATOM 548 CB SER A 38 9.596 0.483 13.549 1.00 0.00 C ATOM 549 OG SER A 38 9.981 0.377 14.912 1.00 0.00 O ATOM 0 H SER A 38 12.687 0.271 13.303 1.00 0.00 H new ATOM 0 HA SER A 38 10.943 -1.032 12.848 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.340 1.517 13.318 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.702 -0.114 13.371 1.00 0.00 H new ATOM 0 HG SER A 38 9.375 -0.238 15.376 1.00 0.00 H new ATOM 555 N ALA A 39 11.200 -0.286 10.285 1.00 0.00 N ATOM 556 CA ALA A 39 10.960 -0.272 8.846 1.00 0.00 C ATOM 557 C ALA A 39 9.664 -0.989 8.473 1.00 0.00 C ATOM 558 O ALA A 39 8.908 -0.510 7.626 1.00 0.00 O ATOM 559 CB ALA A 39 12.135 -0.912 8.130 1.00 0.00 C ATOM 0 H ALA A 39 12.127 -0.621 10.546 1.00 0.00 H new ATOM 0 HA ALA A 39 10.856 0.767 8.534 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.956 -0.901 7.055 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.044 -0.353 8.352 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.250 -1.942 8.469 1.00 0.00 H new ATOM 565 N LEU A 40 9.424 -2.134 9.116 1.00 0.00 N ATOM 566 CA LEU A 40 8.222 -2.936 8.872 1.00 0.00 C ATOM 567 C LEU A 40 8.284 -3.583 7.481 1.00 0.00 C ATOM 568 O LEU A 40 9.353 -3.659 6.867 1.00 0.00 O ATOM 569 CB LEU A 40 6.960 -2.065 9.025 1.00 0.00 C ATOM 570 CG LEU A 40 5.651 -2.809 9.302 1.00 0.00 C ATOM 571 CD1 LEU A 40 5.759 -3.635 10.572 1.00 0.00 C ATOM 572 CD2 LEU A 40 4.497 -1.822 9.406 1.00 0.00 C ATOM 0 H LEU A 40 10.052 -2.530 9.816 1.00 0.00 H new ATOM 0 HA LEU A 40 8.174 -3.735 9.612 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.129 -1.357 9.836 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.835 -1.481 8.113 1.00 0.00 H new ATOM 0 HG LEU A 40 5.458 -3.487 8.471 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.817 -4.155 10.749 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.562 -4.365 10.464 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.975 -2.979 11.415 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.572 -2.363 9.603 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.689 -1.123 10.220 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.403 -1.272 8.470 1.00 0.00 H new ATOM 584 N LYS A 41 7.148 -4.074 6.999 1.00 0.00 N ATOM 585 CA LYS A 41 7.086 -4.708 5.692 1.00 0.00 C ATOM 586 C LYS A 41 6.138 -3.945 4.780 1.00 0.00 C ATOM 587 O LYS A 41 5.177 -3.331 5.247 1.00 0.00 O ATOM 588 CB LYS A 41 6.639 -6.167 5.814 1.00 0.00 C ATOM 589 CG LYS A 41 7.672 -7.065 6.476 1.00 0.00 C ATOM 590 CD LYS A 41 7.296 -8.534 6.364 1.00 0.00 C ATOM 591 CE LYS A 41 7.409 -9.036 4.930 1.00 0.00 C ATOM 592 NZ LYS A 41 8.824 -9.255 4.517 1.00 0.00 N ATOM 0 H LYS A 41 6.258 -4.044 7.496 1.00 0.00 H new ATOM 0 HA LYS A 41 8.086 -4.690 5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.713 -6.208 6.387 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.416 -6.555 4.820 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.645 -6.902 6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.770 -6.794 7.527 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.945 -9.126 7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.276 -8.677 6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.855 -9.969 4.829 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.944 -8.315 4.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.850 -9.596 3.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.349 -8.360 4.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.262 -9.962 5.141 1.00 0.00 H new ATOM 606 N ARG A 42 6.402 -4.004 3.480 1.00 0.00 N ATOM 607 CA ARG A 42 5.588 -3.300 2.492 1.00 0.00 C ATOM 608 C ARG A 42 4.146 -3.786 2.515 1.00 0.00 C ATOM 609 O ARG A 42 3.210 -2.986 2.498 1.00 0.00 O ATOM 610 CB ARG A 42 6.173 -3.490 1.094 1.00 0.00 C ATOM 611 CG ARG A 42 7.671 -3.255 1.030 1.00 0.00 C ATOM 612 CD ARG A 42 8.193 -3.348 -0.393 1.00 0.00 C ATOM 613 NE ARG A 42 7.867 -4.628 -1.020 1.00 0.00 N ATOM 614 CZ ARG A 42 8.766 -5.459 -1.547 1.00 0.00 C ATOM 615 NH1 ARG A 42 10.062 -5.168 -1.492 1.00 0.00 N ATOM 616 NH2 ARG A 42 8.355 -6.583 -2.123 1.00 0.00 N ATOM 0 H ARG A 42 7.177 -4.535 3.082 1.00 0.00 H new ATOM 0 HA ARG A 42 5.596 -2.241 2.748 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.957 -4.502 0.752 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.676 -2.808 0.404 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.903 -2.272 1.439 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.182 -3.989 1.654 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.771 -2.537 -0.986 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.274 -3.212 -0.391 1.00 0.00 H new ATOM 0 HE ARG A 42 6.886 -4.904 -1.057 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.372 -4.305 -1.045 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.746 -5.807 -1.897 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.360 -6.803 -2.159 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.035 -7.226 -2.529 1.00 0.00 H new ATOM 630 N SER A 43 3.978 -5.099 2.569 1.00 0.00 N ATOM 631 CA SER A 43 2.657 -5.710 2.591 1.00 0.00 C ATOM 632 C SER A 43 1.871 -5.295 3.829 1.00 0.00 C ATOM 633 O SER A 43 0.650 -5.194 3.790 1.00 0.00 O ATOM 634 CB SER A 43 2.807 -7.226 2.553 1.00 0.00 C ATOM 635 OG SER A 43 4.038 -7.616 3.144 1.00 0.00 O ATOM 0 H SER A 43 4.748 -5.767 2.599 1.00 0.00 H new ATOM 0 HA SER A 43 2.102 -5.367 1.717 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.977 -7.693 3.083 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.764 -7.576 1.522 1.00 0.00 H new ATOM 0 HG SER A 43 4.729 -7.677 2.451 1.00 0.00 H new ATOM 641 N GLU A 44 2.586 -5.031 4.917 1.00 0.00 N ATOM 642 CA GLU A 44 1.959 -4.637 6.172 1.00 0.00 C ATOM 643 C GLU A 44 1.383 -3.226 6.077 1.00 0.00 C ATOM 644 O GLU A 44 0.314 -2.950 6.618 1.00 0.00 O ATOM 645 CB GLU A 44 2.969 -4.714 7.318 1.00 0.00 C ATOM 646 CG GLU A 44 2.342 -4.576 8.696 1.00 0.00 C ATOM 647 CD GLU A 44 1.562 -5.806 9.109 1.00 0.00 C ATOM 648 OE1 GLU A 44 0.384 -5.929 8.722 1.00 0.00 O ATOM 649 OE2 GLU A 44 2.125 -6.658 9.827 1.00 0.00 O ATOM 0 H GLU A 44 3.604 -5.083 4.954 1.00 0.00 H new ATOM 0 HA GLU A 44 1.141 -5.329 6.372 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.496 -5.666 7.262 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.714 -3.929 7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.125 -4.384 9.429 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.679 -3.711 8.704 1.00 0.00 H new ATOM 656 N LEU A 45 2.090 -2.338 5.381 1.00 0.00 N ATOM 657 CA LEU A 45 1.635 -0.958 5.227 1.00 0.00 C ATOM 658 C LEU A 45 0.284 -0.909 4.524 1.00 0.00 C ATOM 659 O LEU A 45 -0.636 -0.228 4.975 1.00 0.00 O ATOM 660 CB LEU A 45 2.663 -0.126 4.458 1.00 0.00 C ATOM 661 CG LEU A 45 3.624 0.682 5.331 1.00 0.00 C ATOM 662 CD1 LEU A 45 4.756 -0.193 5.847 1.00 0.00 C ATOM 663 CD2 LEU A 45 4.170 1.869 4.558 1.00 0.00 C ATOM 0 H LEU A 45 2.974 -2.547 4.918 1.00 0.00 H new ATOM 0 HA LEU A 45 1.523 -0.530 6.223 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.246 -0.793 3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.132 0.560 3.797 1.00 0.00 H new ATOM 0 HG LEU A 45 3.071 1.056 6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.426 0.405 6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.344 -1.008 6.442 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.311 -0.604 5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.852 2.434 5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.704 1.515 3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.346 2.512 4.249 1.00 0.00 H new ATOM 675 N VAL A 46 0.170 -1.625 3.418 1.00 0.00 N ATOM 676 CA VAL A 46 -1.079 -1.667 2.676 1.00 0.00 C ATOM 677 C VAL A 46 -2.111 -2.505 3.432 1.00 0.00 C ATOM 678 O VAL A 46 -3.309 -2.232 3.379 1.00 0.00 O ATOM 679 CB VAL A 46 -0.876 -2.200 1.228 1.00 0.00 C ATOM 680 CG1 VAL A 46 0.263 -3.199 1.147 1.00 0.00 C ATOM 681 CG2 VAL A 46 -2.150 -2.811 0.668 1.00 0.00 C ATOM 0 H VAL A 46 0.923 -2.183 3.015 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.452 -0.647 2.588 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.614 -1.337 0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.370 -3.546 0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.189 -2.722 1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.049 -4.048 1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.966 -3.171 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.462 -3.644 1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.937 -2.057 0.648 1.00 0.00 H new ATOM 691 N ASN A 47 -1.620 -3.494 4.169 1.00 0.00 N ATOM 692 CA ASN A 47 -2.469 -4.395 4.951 1.00 0.00 C ATOM 693 C ASN A 47 -3.417 -3.628 5.870 1.00 0.00 C ATOM 694 O ASN A 47 -4.639 -3.773 5.767 1.00 0.00 O ATOM 695 CB ASN A 47 -1.606 -5.354 5.781 1.00 0.00 C ATOM 696 CG ASN A 47 -2.423 -6.392 6.528 1.00 0.00 C ATOM 697 OD1 ASN A 47 -3.488 -6.811 6.076 1.00 0.00 O ATOM 698 ND2 ASN A 47 -1.927 -6.820 7.678 1.00 0.00 N ATOM 0 H ASN A 47 -0.623 -3.697 4.244 1.00 0.00 H new ATOM 0 HA ASN A 47 -3.073 -4.966 4.246 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.900 -5.860 5.123 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -1.019 -4.778 6.496 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.431 -7.521 8.222 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.041 -6.449 8.021 1.00 0.00 H new ATOM 705 N TRP A 48 -2.865 -2.804 6.759 1.00 0.00 N ATOM 706 CA TRP A 48 -3.697 -2.036 7.680 1.00 0.00 C ATOM 707 C TRP A 48 -4.483 -0.971 6.927 1.00 0.00 C ATOM 708 O TRP A 48 -5.616 -0.664 7.291 1.00 0.00 O ATOM 709 CB TRP A 48 -2.869 -1.413 8.823 1.00 0.00 C ATOM 710 CG TRP A 48 -1.973 -0.276 8.420 1.00 0.00 C ATOM 711 CD1 TRP A 48 -0.640 -0.348 8.144 1.00 0.00 C ATOM 712 CD2 TRP A 48 -2.341 1.105 8.270 1.00 0.00 C ATOM 713 NE1 TRP A 48 -0.159 0.894 7.814 1.00 0.00 N ATOM 714 CE2 TRP A 48 -1.185 1.802 7.881 1.00 0.00 C ATOM 715 CE3 TRP A 48 -3.537 1.821 8.419 1.00 0.00 C ATOM 716 CZ2 TRP A 48 -1.188 3.171 7.637 1.00 0.00 C ATOM 717 CZ3 TRP A 48 -3.538 3.182 8.169 1.00 0.00 C ATOM 718 CH2 TRP A 48 -2.369 3.844 7.782 1.00 0.00 C ATOM 0 H TRP A 48 -1.861 -2.653 6.860 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.404 -2.726 8.140 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.553 -1.059 9.594 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.257 -2.194 9.274 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -0.049 -1.251 8.180 1.00 0.00 H new ATOM 0 HE1 TRP A 48 0.806 1.108 7.560 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.443 1.318 8.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -0.286 3.686 7.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.456 3.741 8.274 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.400 4.907 7.594 1.00 0.00 H new ATOM 729 N TYR A 49 -3.888 -0.431 5.863 1.00 0.00 N ATOM 730 CA TYR A 49 -4.539 0.597 5.056 1.00 0.00 C ATOM 731 C TYR A 49 -5.893 0.099 4.571 1.00 0.00 C ATOM 732 O TYR A 49 -6.903 0.801 4.654 1.00 0.00 O ATOM 733 CB TYR A 49 -3.661 0.977 3.856 1.00 0.00 C ATOM 734 CG TYR A 49 -4.211 2.120 3.024 1.00 0.00 C ATOM 735 CD1 TYR A 49 -4.711 3.270 3.626 1.00 0.00 C ATOM 736 CD2 TYR A 49 -4.229 2.051 1.632 1.00 0.00 C ATOM 737 CE1 TYR A 49 -5.213 4.311 2.870 1.00 0.00 C ATOM 738 CE2 TYR A 49 -4.729 3.090 0.872 1.00 0.00 C ATOM 739 CZ TYR A 49 -5.220 4.217 1.496 1.00 0.00 C ATOM 740 OH TYR A 49 -5.720 5.256 0.744 1.00 0.00 O ATOM 0 H TYR A 49 -2.955 -0.690 5.541 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.684 1.482 5.675 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.669 1.249 4.217 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.539 0.102 3.217 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.707 3.350 4.703 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.845 1.170 1.139 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.599 5.196 3.355 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.735 3.020 -0.206 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.044 5.962 0.670 1.00 0.00 H new ATOM 750 N LEU A 50 -5.904 -1.128 4.082 1.00 0.00 N ATOM 751 CA LEU A 50 -7.125 -1.739 3.591 1.00 0.00 C ATOM 752 C LEU A 50 -8.030 -2.119 4.744 1.00 0.00 C ATOM 753 O LEU A 50 -9.191 -1.754 4.763 1.00 0.00 O ATOM 754 CB LEU A 50 -6.812 -2.990 2.776 1.00 0.00 C ATOM 755 CG LEU A 50 -5.692 -2.840 1.757 1.00 0.00 C ATOM 756 CD1 LEU A 50 -5.159 -4.205 1.366 1.00 0.00 C ATOM 757 CD2 LEU A 50 -6.176 -2.076 0.533 1.00 0.00 C ATOM 0 H LEU A 50 -5.078 -1.722 4.014 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.629 -1.010 2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.550 -3.795 3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.717 -3.299 2.253 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.882 -2.268 2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.358 -4.087 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.773 -4.712 2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.963 -4.798 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.359 -1.980 -0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.002 -2.616 0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.513 -1.084 0.833 1.00 0.00 H new ATOM 769 N LYS A 51 -7.474 -2.826 5.717 1.00 0.00 N ATOM 770 CA LYS A 51 -8.233 -3.299 6.875 1.00 0.00 C ATOM 771 C LYS A 51 -8.967 -2.174 7.609 1.00 0.00 C ATOM 772 O LYS A 51 -9.972 -2.418 8.274 1.00 0.00 O ATOM 773 CB LYS A 51 -7.304 -4.041 7.835 1.00 0.00 C ATOM 774 CG LYS A 51 -7.364 -5.554 7.687 1.00 0.00 C ATOM 775 CD LYS A 51 -7.299 -5.980 6.225 1.00 0.00 C ATOM 776 CE LYS A 51 -7.543 -7.470 6.057 1.00 0.00 C ATOM 777 NZ LYS A 51 -8.837 -7.897 6.653 1.00 0.00 N ATOM 0 H LYS A 51 -6.489 -3.089 5.730 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.000 -3.977 6.500 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.280 -3.708 7.668 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.563 -3.773 8.859 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.537 -6.006 8.235 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.285 -5.927 8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.041 -5.424 5.652 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.322 -5.724 5.815 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.533 -7.721 4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.729 -8.025 6.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.126 -8.806 6.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.727 -8.004 7.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.564 -7.180 6.455 1.00 0.00 H new ATOM 791 N GLU A 52 -8.473 -0.953 7.491 1.00 0.00 N ATOM 792 CA GLU A 52 -9.101 0.184 8.148 1.00 0.00 C ATOM 793 C GLU A 52 -10.299 0.710 7.359 1.00 0.00 C ATOM 794 O GLU A 52 -11.342 1.025 7.936 1.00 0.00 O ATOM 795 CB GLU A 52 -8.087 1.314 8.340 1.00 0.00 C ATOM 796 CG GLU A 52 -7.010 1.011 9.365 1.00 0.00 C ATOM 797 CD GLU A 52 -7.552 0.914 10.770 1.00 0.00 C ATOM 798 OE1 GLU A 52 -7.873 1.969 11.359 1.00 0.00 O ATOM 799 OE2 GLU A 52 -7.649 -0.213 11.301 1.00 0.00 O ATOM 0 H GLU A 52 -7.641 -0.723 6.948 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.458 -0.163 9.118 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.612 1.529 7.383 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.618 2.217 8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.520 0.073 9.104 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.249 1.790 9.327 1.00 0.00 H new ATOM 806 N ILE A 53 -10.160 0.774 6.041 1.00 0.00 N ATOM 807 CA ILE A 53 -11.215 1.316 5.186 1.00 0.00 C ATOM 808 C ILE A 53 -12.030 0.239 4.475 1.00 0.00 C ATOM 809 O ILE A 53 -12.991 0.548 3.775 1.00 0.00 O ATOM 810 CB ILE A 53 -10.616 2.248 4.118 1.00 0.00 C ATOM 811 CG1 ILE A 53 -9.701 1.453 3.189 1.00 0.00 C ATOM 812 CG2 ILE A 53 -9.858 3.395 4.773 1.00 0.00 C ATOM 813 CD1 ILE A 53 -9.170 2.253 2.026 1.00 0.00 C ATOM 0 H ILE A 53 -9.330 0.459 5.539 1.00 0.00 H new ATOM 0 HA ILE A 53 -11.883 1.861 5.852 1.00 0.00 H new ATOM 0 HB ILE A 53 -11.426 2.675 3.527 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.861 1.066 3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.248 0.592 2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -9.442 4.043 4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.539 3.969 5.401 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -9.050 2.994 5.385 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.529 1.621 1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.003 2.618 1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.594 3.100 2.400 1.00 0.00 H new ATOM 825 N GLU A 54 -11.663 -1.015 4.648 1.00 0.00 N ATOM 826 CA GLU A 54 -12.374 -2.101 3.980 1.00 0.00 C ATOM 827 C GLU A 54 -13.724 -2.369 4.634 1.00 0.00 C ATOM 828 O GLU A 54 -14.657 -2.831 3.978 1.00 0.00 O ATOM 829 CB GLU A 54 -11.512 -3.372 3.924 1.00 0.00 C ATOM 830 CG GLU A 54 -11.964 -4.502 4.834 1.00 0.00 C ATOM 831 CD GLU A 54 -11.318 -5.819 4.464 1.00 0.00 C ATOM 832 OE1 GLU A 54 -11.482 -6.256 3.302 1.00 0.00 O ATOM 833 OE2 GLU A 54 -10.645 -6.418 5.324 1.00 0.00 O ATOM 0 H GLU A 54 -10.886 -1.312 5.238 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.569 -1.789 2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.498 -3.737 2.897 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.486 -3.108 4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.719 -4.256 5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.048 -4.601 4.778 1.00 0.00 H new ATOM 840 N SER A 55 -13.835 -2.049 5.911 1.00 0.00 N ATOM 841 CA SER A 55 -15.073 -2.252 6.648 1.00 0.00 C ATOM 842 C SER A 55 -16.173 -1.319 6.133 1.00 0.00 C ATOM 843 O SER A 55 -17.362 -1.580 6.321 1.00 0.00 O ATOM 844 CB SER A 55 -14.821 -2.008 8.134 1.00 0.00 C ATOM 845 OG SER A 55 -13.470 -2.298 8.458 1.00 0.00 O ATOM 0 H SER A 55 -13.079 -1.645 6.463 1.00 0.00 H new ATOM 0 HA SER A 55 -15.409 -3.278 6.501 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.047 -0.971 8.383 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.487 -2.632 8.730 1.00 0.00 H new ATOM 0 HG SER A 55 -13.321 -2.136 9.413 1.00 0.00 H new ATOM 851 N GLU A 56 -15.772 -0.243 5.462 1.00 0.00 N ATOM 852 CA GLU A 56 -16.724 0.725 4.928 1.00 0.00 C ATOM 853 C GLU A 56 -16.832 0.591 3.414 1.00 0.00 C ATOM 854 O GLU A 56 -17.519 1.376 2.758 1.00 0.00 O ATOM 855 CB GLU A 56 -16.310 2.153 5.298 1.00 0.00 C ATOM 856 CG GLU A 56 -14.898 2.498 4.868 1.00 0.00 C ATOM 857 CD GLU A 56 -14.546 3.953 5.082 1.00 0.00 C ATOM 858 OE1 GLU A 56 -14.277 4.341 6.239 1.00 0.00 O ATOM 859 OE2 GLU A 56 -14.527 4.711 4.091 1.00 0.00 O ATOM 0 H GLU A 56 -14.794 -0.020 5.275 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.699 0.518 5.370 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.005 2.856 4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.395 2.281 6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.195 1.876 5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.777 2.254 3.813 1.00 0.00 H new ATOM 866 N ILE A 57 -16.135 -0.396 2.867 1.00 0.00 N ATOM 867 CA ILE A 57 -16.162 -0.648 1.433 1.00 0.00 C ATOM 868 C ILE A 57 -17.541 -1.142 1.022 1.00 0.00 C ATOM 869 O ILE A 57 -17.969 -2.234 1.399 1.00 0.00 O ATOM 870 CB ILE A 57 -15.080 -1.676 1.019 1.00 0.00 C ATOM 871 CG1 ILE A 57 -13.685 -1.064 1.139 1.00 0.00 C ATOM 872 CG2 ILE A 57 -15.309 -2.180 -0.396 1.00 0.00 C ATOM 873 CD1 ILE A 57 -13.500 0.200 0.328 1.00 0.00 C ATOM 0 H ILE A 57 -15.543 -1.036 3.396 1.00 0.00 H new ATOM 0 HA ILE A 57 -15.945 0.288 0.919 1.00 0.00 H new ATOM 0 HB ILE A 57 -15.154 -2.526 1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -13.484 -0.844 2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.947 -1.800 0.820 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -14.533 -2.900 -0.656 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -16.285 -2.661 -0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -15.274 -1.341 -1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -12.486 0.575 0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.668 -0.017 -0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -14.213 0.954 0.661 1.00 0.00 H new ATOM 885 N ASP A 58 -18.237 -0.315 0.264 1.00 0.00 N ATOM 886 CA ASP A 58 -19.576 -0.636 -0.198 1.00 0.00 C ATOM 887 C ASP A 58 -19.525 -1.380 -1.524 1.00 0.00 C ATOM 888 O ASP A 58 -20.488 -2.039 -1.912 1.00 0.00 O ATOM 889 CB ASP A 58 -20.416 0.637 -0.334 1.00 0.00 C ATOM 890 CG ASP A 58 -20.048 1.470 -1.548 1.00 0.00 C ATOM 891 OD1 ASP A 58 -18.911 1.986 -1.606 1.00 0.00 O ATOM 892 OD2 ASP A 58 -20.904 1.632 -2.441 1.00 0.00 O ATOM 0 H ASP A 58 -17.893 0.593 -0.048 1.00 0.00 H new ATOM 0 HA ASP A 58 -20.045 -1.285 0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -21.470 0.364 -0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.294 1.242 0.564 1.00 0.00 H new ATOM 897 N SER A 59 -18.398 -1.279 -2.211 1.00 0.00 N ATOM 898 CA SER A 59 -18.228 -1.952 -3.482 1.00 0.00 C ATOM 899 C SER A 59 -16.846 -2.573 -3.557 1.00 0.00 C ATOM 900 O SER A 59 -15.844 -1.902 -3.309 1.00 0.00 O ATOM 901 CB SER A 59 -18.422 -0.971 -4.642 1.00 0.00 C ATOM 902 OG SER A 59 -18.623 -1.655 -5.870 1.00 0.00 O ATOM 0 H SER A 59 -17.589 -0.737 -1.907 1.00 0.00 H new ATOM 0 HA SER A 59 -18.980 -2.737 -3.562 1.00 0.00 H new ATOM 0 HB2 SER A 59 -19.278 -0.328 -4.438 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.549 -0.323 -4.723 1.00 0.00 H new ATOM 0 HG SER A 59 -18.746 -1.003 -6.591 1.00 0.00 H new ATOM 908 N GLU A 60 -16.810 -3.849 -3.906 1.00 0.00 N ATOM 909 CA GLU A 60 -15.570 -4.604 -4.035 1.00 0.00 C ATOM 910 C GLU A 60 -14.575 -3.869 -4.924 1.00 0.00 C ATOM 911 O GLU A 60 -13.374 -3.872 -4.657 1.00 0.00 O ATOM 912 CB GLU A 60 -15.889 -5.976 -4.623 1.00 0.00 C ATOM 913 CG GLU A 60 -14.805 -7.014 -4.426 1.00 0.00 C ATOM 914 CD GLU A 60 -15.195 -8.340 -5.034 1.00 0.00 C ATOM 915 OE1 GLU A 60 -15.020 -8.512 -6.263 1.00 0.00 O ATOM 916 OE2 GLU A 60 -15.702 -9.208 -4.297 1.00 0.00 O ATOM 0 H GLU A 60 -17.646 -4.396 -4.110 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.115 -4.718 -3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.812 -6.344 -4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.077 -5.864 -5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.877 -6.664 -4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.612 -7.143 -3.361 1.00 0.00 H new ATOM 923 N GLU A 61 -15.091 -3.213 -5.957 1.00 0.00 N ATOM 924 CA GLU A 61 -14.256 -2.474 -6.891 1.00 0.00 C ATOM 925 C GLU A 61 -13.449 -1.385 -6.187 1.00 0.00 C ATOM 926 O GLU A 61 -12.313 -1.114 -6.565 1.00 0.00 O ATOM 927 CB GLU A 61 -15.111 -1.856 -7.994 1.00 0.00 C ATOM 928 CG GLU A 61 -15.456 -2.831 -9.105 1.00 0.00 C ATOM 929 CD GLU A 61 -15.944 -2.132 -10.352 1.00 0.00 C ATOM 930 OE1 GLU A 61 -15.119 -1.504 -11.049 1.00 0.00 O ATOM 931 OE2 GLU A 61 -17.152 -2.205 -10.646 1.00 0.00 O ATOM 0 H GLU A 61 -16.088 -3.179 -6.168 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.553 -3.181 -7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -16.033 -1.473 -7.557 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.582 -1.004 -8.420 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.577 -3.428 -9.347 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.224 -3.521 -8.754 1.00 0.00 H new ATOM 938 N GLU A 62 -14.030 -0.776 -5.159 1.00 0.00 N ATOM 939 CA GLU A 62 -13.341 0.274 -4.415 1.00 0.00 C ATOM 940 C GLU A 62 -12.163 -0.316 -3.651 1.00 0.00 C ATOM 941 O GLU A 62 -11.070 0.256 -3.621 1.00 0.00 O ATOM 942 CB GLU A 62 -14.294 0.964 -3.439 1.00 0.00 C ATOM 943 CG GLU A 62 -15.551 1.516 -4.088 1.00 0.00 C ATOM 944 CD GLU A 62 -15.252 2.473 -5.228 1.00 0.00 C ATOM 945 OE1 GLU A 62 -15.106 3.686 -4.974 1.00 0.00 O ATOM 946 OE2 GLU A 62 -15.152 2.015 -6.386 1.00 0.00 O ATOM 0 H GLU A 62 -14.969 -0.989 -4.823 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.977 1.015 -5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.580 0.254 -2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.765 1.779 -2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.154 0.689 -4.462 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.148 2.030 -3.335 1.00 0.00 H new ATOM 953 N LEU A 63 -12.395 -1.475 -3.044 1.00 0.00 N ATOM 954 CA LEU A 63 -11.364 -2.166 -2.286 1.00 0.00 C ATOM 955 C LEU A 63 -10.268 -2.654 -3.210 1.00 0.00 C ATOM 956 O LEU A 63 -9.084 -2.652 -2.849 1.00 0.00 O ATOM 957 CB LEU A 63 -11.963 -3.330 -1.510 1.00 0.00 C ATOM 958 CG LEU A 63 -11.051 -3.914 -0.440 1.00 0.00 C ATOM 959 CD1 LEU A 63 -10.575 -2.826 0.513 1.00 0.00 C ATOM 960 CD2 LEU A 63 -11.775 -5.007 0.313 1.00 0.00 C ATOM 0 H LEU A 63 -13.294 -1.956 -3.064 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.930 -1.464 -1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.888 -2.998 -1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.229 -4.120 -2.213 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.174 -4.344 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.925 -3.264 1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.024 -2.069 -0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.436 -2.364 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.116 -5.420 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.666 -4.594 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.066 -5.796 -0.381 1.00 0.00 H new ATOM 972 N ILE A 64 -10.668 -3.094 -4.390 1.00 0.00 N ATOM 973 CA ILE A 64 -9.722 -3.553 -5.389 1.00 0.00 C ATOM 974 C ILE A 64 -8.930 -2.361 -5.922 1.00 0.00 C ATOM 975 O ILE A 64 -7.722 -2.452 -6.143 1.00 0.00 O ATOM 976 CB ILE A 64 -10.445 -4.295 -6.533 1.00 0.00 C ATOM 977 CG1 ILE A 64 -11.057 -5.588 -5.985 1.00 0.00 C ATOM 978 CG2 ILE A 64 -9.489 -4.595 -7.679 1.00 0.00 C ATOM 979 CD1 ILE A 64 -12.245 -6.097 -6.768 1.00 0.00 C ATOM 0 H ILE A 64 -11.645 -3.143 -4.679 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.032 -4.260 -4.929 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.237 -3.658 -6.926 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.289 -6.361 -5.970 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -11.362 -5.422 -4.952 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.024 -5.118 -8.472 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.084 -3.661 -8.069 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.673 -5.221 -7.318 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -12.615 -7.015 -6.312 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -13.034 -5.345 -6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -11.944 -6.299 -7.796 1.00 0.00 H new ATOM 991 N ASN A 65 -9.617 -1.233 -6.079 1.00 0.00 N ATOM 992 CA ASN A 65 -8.995 -0.003 -6.554 1.00 0.00 C ATOM 993 C ASN A 65 -7.891 0.435 -5.601 1.00 0.00 C ATOM 994 O ASN A 65 -6.767 0.702 -6.024 1.00 0.00 O ATOM 995 CB ASN A 65 -10.039 1.113 -6.686 1.00 0.00 C ATOM 996 CG ASN A 65 -9.418 2.497 -6.698 1.00 0.00 C ATOM 997 OD1 ASN A 65 -8.987 2.987 -7.741 1.00 0.00 O ATOM 998 ND2 ASN A 65 -9.381 3.142 -5.539 1.00 0.00 N ATOM 0 H ASN A 65 -10.614 -1.147 -5.882 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.562 -0.197 -7.535 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.607 0.966 -7.604 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.746 1.043 -5.859 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.984 4.080 -5.490 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.749 2.699 -4.697 1.00 0.00 H new ATOM 1005 N LYS A 66 -8.220 0.497 -4.311 1.00 0.00 N ATOM 1006 CA LYS A 66 -7.258 0.898 -3.291 1.00 0.00 C ATOM 1007 C LYS A 66 -6.015 0.028 -3.362 1.00 0.00 C ATOM 1008 O LYS A 66 -4.893 0.533 -3.345 1.00 0.00 O ATOM 1009 CB LYS A 66 -7.879 0.811 -1.897 1.00 0.00 C ATOM 1010 CG LYS A 66 -8.705 2.030 -1.529 1.00 0.00 C ATOM 1011 CD LYS A 66 -7.847 3.283 -1.459 1.00 0.00 C ATOM 1012 CE LYS A 66 -8.628 4.459 -0.897 1.00 0.00 C ATOM 1013 NZ LYS A 66 -7.864 5.727 -0.996 1.00 0.00 N ATOM 0 H LYS A 66 -9.147 0.274 -3.950 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.975 1.933 -3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.510 -0.076 -1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.085 0.683 -1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.497 2.170 -2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.190 1.865 -0.567 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.973 3.093 -0.835 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.480 3.531 -2.455 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.570 4.560 -1.435 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.876 4.265 0.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.450 6.513 -0.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.001 5.658 -0.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.605 5.900 -1.988 1.00 0.00 H new ATOM 1027 N LYS A 67 -6.228 -1.279 -3.465 1.00 0.00 N ATOM 1028 CA LYS A 67 -5.130 -2.231 -3.552 1.00 0.00 C ATOM 1029 C LYS A 67 -4.312 -2.000 -4.813 1.00 0.00 C ATOM 1030 O LYS A 67 -3.086 -2.036 -4.783 1.00 0.00 O ATOM 1031 CB LYS A 67 -5.661 -3.660 -3.541 1.00 0.00 C ATOM 1032 CG LYS A 67 -5.705 -4.268 -2.155 1.00 0.00 C ATOM 1033 CD LYS A 67 -6.363 -5.631 -2.166 1.00 0.00 C ATOM 1034 CE LYS A 67 -7.020 -5.937 -0.834 1.00 0.00 C ATOM 1035 NZ LYS A 67 -8.091 -4.959 -0.508 1.00 0.00 N ATOM 0 H LYS A 67 -7.155 -1.703 -3.490 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.487 -2.081 -2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.664 -3.672 -3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.034 -4.279 -4.183 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.692 -4.356 -1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.251 -3.605 -1.483 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.109 -5.670 -2.959 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.618 -6.395 -2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.441 -6.942 -0.859 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.267 -5.927 -0.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.735 -4.273 0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.378 -4.458 -1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.910 -5.461 -0.111 1.00 0.00 H new ATOM 1049 N ARG A 68 -5.000 -1.749 -5.919 1.00 0.00 N ATOM 1050 CA ARG A 68 -4.349 -1.520 -7.200 1.00 0.00 C ATOM 1051 C ARG A 68 -3.456 -0.281 -7.163 1.00 0.00 C ATOM 1052 O ARG A 68 -2.456 -0.211 -7.869 1.00 0.00 O ATOM 1053 CB ARG A 68 -5.403 -1.376 -8.300 1.00 0.00 C ATOM 1054 CG ARG A 68 -4.827 -1.062 -9.669 1.00 0.00 C ATOM 1055 CD ARG A 68 -5.909 -1.021 -10.738 1.00 0.00 C ATOM 1056 NE ARG A 68 -6.908 0.020 -10.484 1.00 0.00 N ATOM 1057 CZ ARG A 68 -8.202 -0.219 -10.282 1.00 0.00 C ATOM 1058 NH1 ARG A 68 -8.662 -1.463 -10.262 1.00 0.00 N ATOM 1059 NH2 ARG A 68 -9.034 0.789 -10.086 1.00 0.00 N ATOM 0 H ARG A 68 -6.018 -1.699 -5.953 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.714 -2.380 -7.414 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.977 -2.300 -8.362 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.100 -0.586 -8.020 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.312 -0.102 -9.636 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.083 -1.814 -9.932 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.448 -0.849 -11.711 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.404 -1.991 -10.787 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.592 0.990 -10.460 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.023 -2.245 -10.402 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.655 -1.637 -10.107 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.684 1.747 -10.090 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.026 0.609 -9.931 1.00 0.00 H new ATOM 1073 N ILE A 69 -3.812 0.690 -6.335 1.00 0.00 N ATOM 1074 CA ILE A 69 -3.033 1.917 -6.239 1.00 0.00 C ATOM 1075 C ILE A 69 -1.886 1.787 -5.241 1.00 0.00 C ATOM 1076 O ILE A 69 -0.733 2.068 -5.575 1.00 0.00 O ATOM 1077 CB ILE A 69 -3.913 3.129 -5.851 1.00 0.00 C ATOM 1078 CG1 ILE A 69 -5.093 3.274 -6.816 1.00 0.00 C ATOM 1079 CG2 ILE A 69 -3.083 4.407 -5.832 1.00 0.00 C ATOM 1080 CD1 ILE A 69 -4.683 3.535 -8.250 1.00 0.00 C ATOM 0 H ILE A 69 -4.628 0.654 -5.724 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.617 2.088 -7.232 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.308 2.956 -4.850 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.693 2.365 -6.780 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.730 4.091 -6.476 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.718 5.249 -5.557 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.278 4.307 -5.104 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.659 4.580 -6.821 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.573 3.626 -8.872 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.108 4.460 -8.302 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.072 2.708 -8.610 1.00 0.00 H new ATOM 1092 N ILE A 70 -2.193 1.340 -4.027 1.00 0.00 N ATOM 1093 CA ILE A 70 -1.174 1.205 -2.990 1.00 0.00 C ATOM 1094 C ILE A 70 -0.107 0.172 -3.373 1.00 0.00 C ATOM 1095 O ILE A 70 1.086 0.396 -3.171 1.00 0.00 O ATOM 1096 CB ILE A 70 -1.795 0.860 -1.614 1.00 0.00 C ATOM 1097 CG1 ILE A 70 -0.715 0.818 -0.531 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -2.553 -0.454 -1.667 1.00 0.00 C ATOM 1099 CD1 ILE A 70 -0.035 2.148 -0.306 1.00 0.00 C ATOM 0 H ILE A 70 -3.132 1.067 -3.738 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.687 2.176 -2.904 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.507 1.646 -1.361 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.163 0.485 0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.036 0.077 -0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.977 -0.669 -0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.355 -0.382 -2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.872 -1.256 -1.951 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.718 2.044 0.475 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.443 2.473 -1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.775 2.888 0.000 1.00 0.00 H new ATOM 1111 N GLU A 71 -0.529 -0.944 -3.949 1.00 0.00 N ATOM 1112 CA GLU A 71 0.405 -1.983 -4.364 1.00 0.00 C ATOM 1113 C GLU A 71 1.237 -1.486 -5.545 1.00 0.00 C ATOM 1114 O GLU A 71 2.418 -1.814 -5.673 1.00 0.00 O ATOM 1115 CB GLU A 71 -0.355 -3.256 -4.743 1.00 0.00 C ATOM 1116 CG GLU A 71 0.534 -4.390 -5.229 1.00 0.00 C ATOM 1117 CD GLU A 71 1.024 -5.278 -4.108 1.00 0.00 C ATOM 1118 OE1 GLU A 71 0.212 -5.641 -3.236 1.00 0.00 O ATOM 1119 OE2 GLU A 71 2.219 -5.647 -4.119 1.00 0.00 O ATOM 0 H GLU A 71 -1.509 -1.154 -4.140 1.00 0.00 H new ATOM 0 HA GLU A 71 1.073 -2.216 -3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.922 -3.599 -3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.078 -3.016 -5.523 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.018 -4.994 -5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.392 -3.972 -5.755 1.00 0.00 H new ATOM 1126 N LYS A 72 0.612 -0.675 -6.394 1.00 0.00 N ATOM 1127 CA LYS A 72 1.277 -0.121 -7.569 1.00 0.00 C ATOM 1128 C LYS A 72 2.432 0.786 -7.165 1.00 0.00 C ATOM 1129 O LYS A 72 3.554 0.619 -7.642 1.00 0.00 O ATOM 1130 CB LYS A 72 0.281 0.667 -8.418 1.00 0.00 C ATOM 1131 CG LYS A 72 0.799 1.027 -9.800 1.00 0.00 C ATOM 1132 CD LYS A 72 -0.133 1.995 -10.514 1.00 0.00 C ATOM 1133 CE LYS A 72 -1.487 1.366 -10.819 1.00 0.00 C ATOM 1134 NZ LYS A 72 -1.376 0.218 -11.756 1.00 0.00 N ATOM 0 H LYS A 72 -0.360 -0.386 -6.289 1.00 0.00 H new ATOM 0 HA LYS A 72 1.674 -0.951 -8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.633 0.083 -8.524 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.014 1.583 -7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.790 1.473 -9.713 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.908 0.121 -10.395 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.276 2.882 -9.897 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.331 2.325 -11.444 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.947 1.031 -9.890 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.147 2.120 -11.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.325 -0.059 -12.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.797 0.493 -12.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.928 -0.585 -11.270 1.00 0.00 H new ATOM 1148 N VAL A 73 2.158 1.738 -6.280 1.00 0.00 N ATOM 1149 CA VAL A 73 3.190 2.665 -5.833 1.00 0.00 C ATOM 1150 C VAL A 73 4.288 1.929 -5.069 1.00 0.00 C ATOM 1151 O VAL A 73 5.459 2.275 -5.179 1.00 0.00 O ATOM 1152 CB VAL A 73 2.620 3.816 -4.970 1.00 0.00 C ATOM 1153 CG1 VAL A 73 1.592 4.614 -5.760 1.00 0.00 C ATOM 1154 CG2 VAL A 73 2.016 3.295 -3.677 1.00 0.00 C ATOM 0 H VAL A 73 1.240 1.887 -5.862 1.00 0.00 H new ATOM 0 HA VAL A 73 3.617 3.112 -6.731 1.00 0.00 H new ATOM 0 HB VAL A 73 3.446 4.476 -4.705 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.201 5.420 -5.139 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.063 5.036 -6.648 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.775 3.958 -6.060 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.625 4.130 -3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.206 2.603 -3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.783 2.778 -3.100 1.00 0.00 H new ATOM 1164 N ILE A 74 3.911 0.898 -4.317 1.00 0.00 N ATOM 1165 CA ILE A 74 4.883 0.115 -3.565 1.00 0.00 C ATOM 1166 C ILE A 74 5.771 -0.675 -4.525 1.00 0.00 C ATOM 1167 O ILE A 74 6.973 -0.818 -4.304 1.00 0.00 O ATOM 1168 CB ILE A 74 4.187 -0.835 -2.560 1.00 0.00 C ATOM 1169 CG1 ILE A 74 3.627 -0.029 -1.385 1.00 0.00 C ATOM 1170 CG2 ILE A 74 5.147 -1.906 -2.060 1.00 0.00 C ATOM 1171 CD1 ILE A 74 2.819 -0.856 -0.404 1.00 0.00 C ATOM 0 H ILE A 74 2.945 0.588 -4.213 1.00 0.00 H new ATOM 0 HA ILE A 74 5.504 0.803 -2.991 1.00 0.00 H new ATOM 0 HB ILE A 74 3.367 -1.337 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.454 0.443 -0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.999 0.773 -1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.630 -2.558 -1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.506 -2.495 -2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.993 -1.432 -1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.456 -0.215 0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.971 -1.306 -0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.448 -1.642 0.014 1.00 0.00 H new ATOM 1183 N HIS A 75 5.169 -1.177 -5.597 1.00 0.00 N ATOM 1184 CA HIS A 75 5.898 -1.932 -6.611 1.00 0.00 C ATOM 1185 C HIS A 75 6.814 -0.993 -7.396 1.00 0.00 C ATOM 1186 O HIS A 75 7.895 -1.380 -7.847 1.00 0.00 O ATOM 1187 CB HIS A 75 4.910 -2.644 -7.548 1.00 0.00 C ATOM 1188 CG HIS A 75 5.530 -3.176 -8.805 1.00 0.00 C ATOM 1189 ND1 HIS A 75 6.467 -4.182 -8.817 1.00 0.00 N ATOM 1190 CD2 HIS A 75 5.345 -2.822 -10.099 1.00 0.00 C ATOM 1191 CE1 HIS A 75 6.839 -4.419 -10.059 1.00 0.00 C ATOM 1192 NE2 HIS A 75 6.172 -3.610 -10.859 1.00 0.00 N ATOM 0 H HIS A 75 4.172 -1.074 -5.788 1.00 0.00 H new ATOM 0 HA HIS A 75 6.514 -2.689 -6.125 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.445 -3.469 -7.008 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.114 -1.949 -7.815 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.672 -2.061 -10.465 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.568 -5.153 -10.370 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.257 -3.576 -11.875 1.00 0.00 H new ATOM 1201 N ARG A 76 6.366 0.242 -7.561 1.00 0.00 N ATOM 1202 CA ARG A 76 7.137 1.247 -8.273 1.00 0.00 C ATOM 1203 C ARG A 76 8.290 1.730 -7.406 1.00 0.00 C ATOM 1204 O ARG A 76 9.418 1.876 -7.873 1.00 0.00 O ATOM 1205 CB ARG A 76 6.244 2.427 -8.663 1.00 0.00 C ATOM 1206 CG ARG A 76 7.013 3.605 -9.234 1.00 0.00 C ATOM 1207 CD ARG A 76 6.121 4.818 -9.423 1.00 0.00 C ATOM 1208 NE ARG A 76 6.868 6.067 -9.293 1.00 0.00 N ATOM 1209 CZ ARG A 76 6.879 7.028 -10.211 1.00 0.00 C ATOM 1210 NH1 ARG A 76 6.273 6.855 -11.379 1.00 0.00 N ATOM 1211 NH2 ARG A 76 7.522 8.161 -9.975 1.00 0.00 N ATOM 0 H ARG A 76 5.468 0.573 -7.209 1.00 0.00 H new ATOM 0 HA ARG A 76 7.539 0.799 -9.182 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.512 2.091 -9.397 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.688 2.757 -7.786 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.837 3.859 -8.567 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.452 3.324 -10.191 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.653 4.775 -10.406 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.318 4.797 -8.687 1.00 0.00 H new ATOM 0 HE ARG A 76 7.415 6.210 -8.444 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.793 5.978 -11.579 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.288 7.599 -12.076 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.009 8.296 -9.089 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.531 8.899 -10.679 1.00 0.00 H new ATOM 1225 N LEU A 77 7.988 1.952 -6.136 1.00 0.00 N ATOM 1226 CA LEU A 77 8.962 2.423 -5.162 1.00 0.00 C ATOM 1227 C LEU A 77 10.170 1.494 -5.064 1.00 0.00 C ATOM 1228 O LEU A 77 11.305 1.954 -4.938 1.00 0.00 O ATOM 1229 CB LEU A 77 8.293 2.536 -3.791 1.00 0.00 C ATOM 1230 CG LEU A 77 9.247 2.648 -2.606 1.00 0.00 C ATOM 1231 CD1 LEU A 77 9.929 4.002 -2.603 1.00 0.00 C ATOM 1232 CD2 LEU A 77 8.502 2.416 -1.304 1.00 0.00 C ATOM 0 H LEU A 77 7.055 1.810 -5.749 1.00 0.00 H new ATOM 0 HA LEU A 77 9.320 3.398 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.641 3.409 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.657 1.663 -3.643 1.00 0.00 H new ATOM 0 HG LEU A 77 10.015 1.880 -2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.606 4.066 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.494 4.127 -3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.177 4.788 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.196 2.499 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.715 3.162 -1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.060 1.420 -1.310 1.00 0.00 H new ATOM 1244 N THR A 78 9.927 0.196 -5.129 1.00 0.00 N ATOM 1245 CA THR A 78 10.995 -0.783 -5.012 1.00 0.00 C ATOM 1246 C THR A 78 11.791 -0.951 -6.300 1.00 0.00 C ATOM 1247 O THR A 78 12.963 -1.321 -6.259 1.00 0.00 O ATOM 1248 CB THR A 78 10.430 -2.152 -4.607 1.00 0.00 C ATOM 1249 OG1 THR A 78 9.233 -2.418 -5.347 1.00 0.00 O ATOM 1250 CG2 THR A 78 10.130 -2.196 -3.122 1.00 0.00 C ATOM 0 H THR A 78 8.999 -0.205 -5.262 1.00 0.00 H new ATOM 0 HA THR A 78 11.668 -0.402 -4.244 1.00 0.00 H new ATOM 0 HB THR A 78 11.178 -2.913 -4.831 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.471 -1.994 -4.900 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.731 -3.176 -2.860 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.046 -2.016 -2.560 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.397 -1.428 -2.876 1.00 0.00 H new ATOM 1258 N HIS A 79 11.180 -0.659 -7.439 1.00 0.00 N ATOM 1259 CA HIS A 79 11.864 -0.852 -8.715 1.00 0.00 C ATOM 1260 C HIS A 79 12.149 0.458 -9.443 1.00 0.00 C ATOM 1261 O HIS A 79 13.302 0.881 -9.532 1.00 0.00 O ATOM 1262 CB HIS A 79 11.052 -1.787 -9.617 1.00 0.00 C ATOM 1263 CG HIS A 79 11.043 -3.213 -9.148 1.00 0.00 C ATOM 1264 ND1 HIS A 79 11.909 -4.179 -9.620 1.00 0.00 N ATOM 1265 CD2 HIS A 79 10.257 -3.834 -8.238 1.00 0.00 C ATOM 1266 CE1 HIS A 79 11.656 -5.326 -9.018 1.00 0.00 C ATOM 1267 NE2 HIS A 79 10.658 -5.144 -8.177 1.00 0.00 N ATOM 0 H HIS A 79 10.230 -0.294 -7.510 1.00 0.00 H new ATOM 0 HA HIS A 79 12.829 -1.304 -8.486 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.026 -1.425 -9.672 1.00 0.00 H new ATOM 0 HB3 HIS A 79 11.459 -1.748 -10.628 1.00 0.00 H new ATOM 0 HD2 HIS A 79 9.461 -3.381 -7.665 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.178 -6.256 -9.186 1.00 0.00 H new ATOM 0 HE2 HIS A 79 10.250 -5.861 -7.578 1.00 0.00 H new ATOM 1276 N TYR A 80 11.100 1.095 -9.955 1.00 0.00 N ATOM 1277 CA TYR A 80 11.237 2.346 -10.701 1.00 0.00 C ATOM 1278 C TYR A 80 11.936 3.426 -9.879 1.00 0.00 C ATOM 1279 O TYR A 80 12.845 4.095 -10.364 1.00 0.00 O ATOM 1280 CB TYR A 80 9.863 2.858 -11.146 1.00 0.00 C ATOM 1281 CG TYR A 80 9.087 1.895 -12.017 1.00 0.00 C ATOM 1282 CD1 TYR A 80 8.235 0.955 -11.454 1.00 0.00 C ATOM 1283 CD2 TYR A 80 9.197 1.935 -13.400 1.00 0.00 C ATOM 1284 CE1 TYR A 80 7.515 0.081 -12.244 1.00 0.00 C ATOM 1285 CE2 TYR A 80 8.478 1.067 -14.198 1.00 0.00 C ATOM 1286 CZ TYR A 80 7.641 0.141 -13.616 1.00 0.00 C ATOM 1287 OH TYR A 80 6.927 -0.726 -14.408 1.00 0.00 O ATOM 0 H TYR A 80 10.139 0.764 -9.867 1.00 0.00 H new ATOM 0 HA TYR A 80 11.851 2.131 -11.575 1.00 0.00 H new ATOM 0 HB2 TYR A 80 9.270 3.086 -10.260 1.00 0.00 H new ATOM 0 HB3 TYR A 80 9.996 3.793 -11.690 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.134 0.906 -10.380 1.00 0.00 H new ATOM 0 HD2 TYR A 80 9.856 2.657 -13.860 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.857 -0.645 -11.790 1.00 0.00 H new ATOM 0 HE2 TYR A 80 8.572 1.114 -15.273 1.00 0.00 H new ATOM 0 HH TYR A 80 7.129 -0.550 -15.351 1.00 0.00 H new ATOM 1297 N ASP A 81 11.509 3.596 -8.639 1.00 0.00 N ATOM 1298 CA ASP A 81 12.095 4.610 -7.771 1.00 0.00 C ATOM 1299 C ASP A 81 13.395 4.120 -7.153 1.00 0.00 C ATOM 1300 O ASP A 81 14.459 4.706 -7.373 1.00 0.00 O ATOM 1301 CB ASP A 81 11.109 5.007 -6.670 1.00 0.00 C ATOM 1302 CG ASP A 81 10.129 6.059 -7.138 1.00 0.00 C ATOM 1303 OD1 ASP A 81 10.543 7.221 -7.323 1.00 0.00 O ATOM 1304 OD2 ASP A 81 8.942 5.730 -7.338 1.00 0.00 O ATOM 0 H ASP A 81 10.762 3.049 -8.210 1.00 0.00 H new ATOM 0 HA ASP A 81 12.316 5.485 -8.383 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.562 4.125 -6.338 1.00 0.00 H new ATOM 0 HB3 ASP A 81 11.660 5.383 -5.808 1.00 0.00 H new ATOM 1309 N HIS A 82 13.291 3.039 -6.381 1.00 0.00 N ATOM 1310 CA HIS A 82 14.434 2.432 -5.699 1.00 0.00 C ATOM 1311 C HIS A 82 15.031 3.403 -4.679 1.00 0.00 C ATOM 1312 O HIS A 82 16.234 3.413 -4.445 1.00 0.00 O ATOM 1313 CB HIS A 82 15.502 1.978 -6.708 1.00 0.00 C ATOM 1314 CG HIS A 82 16.409 0.899 -6.188 1.00 0.00 C ATOM 1315 ND1 HIS A 82 17.737 1.107 -5.890 1.00 0.00 N ATOM 1316 CD2 HIS A 82 16.169 -0.407 -5.920 1.00 0.00 C ATOM 1317 CE1 HIS A 82 18.272 -0.019 -5.459 1.00 0.00 C ATOM 1318 NE2 HIS A 82 17.341 -0.956 -5.467 1.00 0.00 N ATOM 0 H HIS A 82 12.408 2.557 -6.210 1.00 0.00 H new ATOM 0 HA HIS A 82 14.079 1.550 -5.166 1.00 0.00 H new ATOM 0 HB2 HIS A 82 15.007 1.619 -7.610 1.00 0.00 H new ATOM 0 HB3 HIS A 82 16.105 2.839 -6.996 1.00 0.00 H new ATOM 0 HD2 HIS A 82 15.227 -0.922 -6.041 1.00 0.00 H new ATOM 0 HE1 HIS A 82 19.299 -0.152 -5.151 1.00 0.00 H new ATOM 0 HE2 HIS A 82 17.472 -1.927 -5.183 1.00 0.00 H new ATOM 1327 N VAL A 83 14.176 4.212 -4.061 1.00 0.00 N ATOM 1328 CA VAL A 83 14.629 5.177 -3.064 1.00 0.00 C ATOM 1329 C VAL A 83 14.480 4.604 -1.657 1.00 0.00 C ATOM 1330 O VAL A 83 14.750 5.276 -0.662 1.00 0.00 O ATOM 1331 CB VAL A 83 13.852 6.517 -3.145 1.00 0.00 C ATOM 1332 CG1 VAL A 83 13.800 7.033 -4.573 1.00 0.00 C ATOM 1333 CG2 VAL A 83 12.445 6.377 -2.579 1.00 0.00 C ATOM 0 H VAL A 83 13.170 4.219 -4.232 1.00 0.00 H new ATOM 0 HA VAL A 83 15.679 5.376 -3.279 1.00 0.00 H new ATOM 0 HB VAL A 83 14.391 7.243 -2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 83 13.249 7.973 -4.600 1.00 0.00 H new ATOM 0 HG12 VAL A 83 14.814 7.195 -4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 83 13.299 6.301 -5.206 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.927 7.333 -2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 83 11.898 5.625 -3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.502 6.073 -1.534 1.00 0.00 H new ATOM 1343 N LEU A 84 14.055 3.354 -1.581 1.00 0.00 N ATOM 1344 CA LEU A 84 13.850 2.711 -0.297 1.00 0.00 C ATOM 1345 C LEU A 84 15.102 1.975 0.172 1.00 0.00 C ATOM 1346 O LEU A 84 15.915 1.510 -0.633 1.00 0.00 O ATOM 1347 CB LEU A 84 12.654 1.751 -0.355 1.00 0.00 C ATOM 1348 CG LEU A 84 12.941 0.351 -0.904 1.00 0.00 C ATOM 1349 CD1 LEU A 84 11.852 -0.614 -0.470 1.00 0.00 C ATOM 1350 CD2 LEU A 84 13.056 0.374 -2.422 1.00 0.00 C ATOM 0 H LEU A 84 13.847 2.768 -2.389 1.00 0.00 H new ATOM 0 HA LEU A 84 13.635 3.495 0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.247 1.648 0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.877 2.207 -0.968 1.00 0.00 H new ATOM 0 HG LEU A 84 13.895 0.013 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 84 12.066 -1.607 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 84 11.817 -0.658 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.890 -0.272 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 84 13.260 -0.633 -2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 84 12.121 0.733 -2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 84 13.869 1.038 -2.715 1.00 0.00 H new ATOM 1362 N ILE A 85 15.228 1.882 1.479 1.00 0.00 N ATOM 1363 CA ILE A 85 16.342 1.216 2.124 1.00 0.00 C ATOM 1364 C ILE A 85 15.893 -0.175 2.555 1.00 0.00 C ATOM 1365 O ILE A 85 14.725 -0.369 2.892 1.00 0.00 O ATOM 1366 CB ILE A 85 16.818 2.018 3.364 1.00 0.00 C ATOM 1367 CG1 ILE A 85 17.147 3.463 2.977 1.00 0.00 C ATOM 1368 CG2 ILE A 85 18.024 1.363 4.022 1.00 0.00 C ATOM 1369 CD1 ILE A 85 15.996 4.428 3.182 1.00 0.00 C ATOM 0 H ILE A 85 14.550 2.272 2.134 1.00 0.00 H new ATOM 0 HA ILE A 85 17.174 1.146 1.423 1.00 0.00 H new ATOM 0 HB ILE A 85 16.002 2.022 4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 85 18.001 3.801 3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 85 17.449 3.489 1.930 1.00 0.00 H new ATOM 0 HG21 ILE A 85 18.331 1.951 4.887 1.00 0.00 H new ATOM 0 HG22 ILE A 85 17.761 0.355 4.343 1.00 0.00 H new ATOM 0 HG23 ILE A 85 18.846 1.313 3.308 1.00 0.00 H new ATOM 0 HD11 ILE A 85 16.305 5.431 2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.147 4.116 2.574 1.00 0.00 H new ATOM 0 HD13 ILE A 85 15.708 4.432 4.233 1.00 0.00 H new ATOM 1381 N GLU A 86 16.793 -1.147 2.531 1.00 0.00 N ATOM 1382 CA GLU A 86 16.431 -2.495 2.927 1.00 0.00 C ATOM 1383 C GLU A 86 17.438 -3.079 3.907 1.00 0.00 C ATOM 1384 O GLU A 86 18.467 -3.616 3.495 1.00 0.00 O ATOM 1385 CB GLU A 86 16.303 -3.396 1.697 1.00 0.00 C ATOM 1386 CG GLU A 86 17.189 -2.981 0.529 1.00 0.00 C ATOM 1387 CD GLU A 86 16.899 -3.766 -0.735 1.00 0.00 C ATOM 1388 OE1 GLU A 86 17.363 -4.923 -0.840 1.00 0.00 O ATOM 1389 OE2 GLU A 86 16.212 -3.230 -1.634 1.00 0.00 O ATOM 0 H GLU A 86 17.765 -1.028 2.246 1.00 0.00 H new ATOM 0 HA GLU A 86 15.466 -2.444 3.432 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.550 -4.419 1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.264 -3.399 1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.048 -1.918 0.332 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.234 -3.118 0.805 1.00 0.00 H new ATOM 1672 N TYR A 107 14.338 -5.828 6.140 1.00 0.00 N ATOM 1673 CA TYR A 107 13.167 -4.980 6.313 1.00 0.00 C ATOM 1674 C TYR A 107 13.212 -3.803 5.346 1.00 0.00 C ATOM 1675 O TYR A 107 14.281 -3.249 5.079 1.00 0.00 O ATOM 1676 CB TYR A 107 13.062 -4.511 7.762 1.00 0.00 C ATOM 1677 CG TYR A 107 12.521 -5.577 8.692 1.00 0.00 C ATOM 1678 CD1 TYR A 107 13.370 -6.502 9.289 1.00 0.00 C ATOM 1679 CD2 TYR A 107 11.163 -5.662 8.970 1.00 0.00 C ATOM 1680 CE1 TYR A 107 12.882 -7.479 10.135 1.00 0.00 C ATOM 1681 CE2 TYR A 107 10.667 -6.637 9.817 1.00 0.00 C ATOM 1682 CZ TYR A 107 11.530 -7.543 10.395 1.00 0.00 C ATOM 1683 OH TYR A 107 11.040 -8.515 11.239 1.00 0.00 O ATOM 0 HA TYR A 107 12.273 -5.561 6.084 1.00 0.00 H new ATOM 0 HB2 TYR A 107 14.047 -4.200 8.109 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.416 -3.634 7.808 1.00 0.00 H new ATOM 0 HD1 TYR A 107 14.430 -6.456 9.088 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.483 -4.955 8.518 1.00 0.00 H new ATOM 0 HE1 TYR A 107 13.556 -8.189 10.590 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.608 -6.688 10.024 1.00 0.00 H new ATOM 0 HH TYR A 107 10.068 -8.421 11.317 1.00 0.00 H new ATOM 1693 N LEU A 108 12.051 -3.432 4.825 1.00 0.00 N ATOM 1694 CA LEU A 108 11.957 -2.347 3.854 1.00 0.00 C ATOM 1695 C LEU A 108 11.537 -1.041 4.505 1.00 0.00 C ATOM 1696 O LEU A 108 10.480 -0.954 5.123 1.00 0.00 O ATOM 1697 CB LEU A 108 10.959 -2.698 2.747 1.00 0.00 C ATOM 1698 CG LEU A 108 11.431 -3.738 1.727 1.00 0.00 C ATOM 1699 CD1 LEU A 108 12.893 -3.517 1.372 1.00 0.00 C ATOM 1700 CD2 LEU A 108 11.207 -5.150 2.249 1.00 0.00 C ATOM 0 H LEU A 108 11.158 -3.867 5.058 1.00 0.00 H new ATOM 0 HA LEU A 108 12.951 -2.217 3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.043 -3.063 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 108 10.702 -1.783 2.212 1.00 0.00 H new ATOM 0 HG LEU A 108 10.839 -3.617 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.208 -4.266 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 108 13.017 -2.522 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 108 13.503 -3.604 2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 108 11.550 -5.871 1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 108 11.765 -5.289 3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.145 -5.303 2.440 1.00 0.00 H new ATOM 1712 N VAL A 109 12.361 -0.023 4.331 1.00 0.00 N ATOM 1713 CA VAL A 109 12.085 1.294 4.883 1.00 0.00 C ATOM 1714 C VAL A 109 12.208 2.350 3.784 1.00 0.00 C ATOM 1715 O VAL A 109 13.113 2.290 2.960 1.00 0.00 O ATOM 1716 CB VAL A 109 13.039 1.626 6.067 1.00 0.00 C ATOM 1717 CG1 VAL A 109 14.431 1.064 5.823 1.00 0.00 C ATOM 1718 CG2 VAL A 109 13.119 3.128 6.321 1.00 0.00 C ATOM 0 H VAL A 109 13.234 -0.083 3.807 1.00 0.00 H new ATOM 0 HA VAL A 109 11.067 1.296 5.272 1.00 0.00 H new ATOM 0 HB VAL A 109 12.621 1.153 6.956 1.00 0.00 H new ATOM 0 HG11 VAL A 109 15.076 1.311 6.666 1.00 0.00 H new ATOM 0 HG12 VAL A 109 14.372 -0.019 5.716 1.00 0.00 H new ATOM 0 HG13 VAL A 109 14.843 1.497 4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 109 13.794 3.321 7.155 1.00 0.00 H new ATOM 0 HG22 VAL A 109 13.493 3.629 5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.127 3.510 6.562 1.00 0.00 H new ATOM 1728 N VAL A 110 11.301 3.311 3.769 1.00 0.00 N ATOM 1729 CA VAL A 110 11.334 4.362 2.762 1.00 0.00 C ATOM 1730 C VAL A 110 11.468 5.728 3.430 1.00 0.00 C ATOM 1731 O VAL A 110 10.999 5.929 4.549 1.00 0.00 O ATOM 1732 CB VAL A 110 10.075 4.323 1.855 1.00 0.00 C ATOM 1733 CG1 VAL A 110 8.813 4.641 2.649 1.00 0.00 C ATOM 1734 CG2 VAL A 110 10.224 5.275 0.670 1.00 0.00 C ATOM 0 H VAL A 110 10.535 3.387 4.438 1.00 0.00 H new ATOM 0 HA VAL A 110 12.203 4.190 2.127 1.00 0.00 H new ATOM 0 HB VAL A 110 9.979 3.309 1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 110 7.948 4.606 1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 110 8.690 3.907 3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 110 8.898 5.637 3.083 1.00 0.00 H new ATOM 0 HG21 VAL A 110 9.328 5.228 0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 110 10.359 6.293 1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 110 11.091 4.984 0.077 1.00 0.00 H new ATOM 1744 N ASN A 111 12.134 6.648 2.756 1.00 0.00 N ATOM 1745 CA ASN A 111 12.326 7.986 3.286 1.00 0.00 C ATOM 1746 C ASN A 111 11.111 8.855 2.994 1.00 0.00 C ATOM 1747 O ASN A 111 10.517 8.758 1.919 1.00 0.00 O ATOM 1748 CB ASN A 111 13.568 8.634 2.669 1.00 0.00 C ATOM 1749 CG ASN A 111 14.861 8.135 3.277 1.00 0.00 C ATOM 1750 OD1 ASN A 111 14.899 7.698 4.427 1.00 0.00 O ATOM 1751 ND2 ASN A 111 15.933 8.205 2.507 1.00 0.00 N ATOM 0 H ASN A 111 12.552 6.493 1.839 1.00 0.00 H new ATOM 0 HA ASN A 111 12.460 7.904 4.365 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.578 8.438 1.597 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.507 9.715 2.795 1.00 0.00 H new ATOM 0 HD21 ASN A 111 16.836 7.890 2.861 1.00 0.00 H new ATOM 0 HD22 ASN A 111 15.857 8.574 1.559 1.00 0.00 H new ATOM 1758 N PRO A 112 10.730 9.729 3.940 1.00 0.00 N ATOM 1759 CA PRO A 112 9.589 10.639 3.772 1.00 0.00 C ATOM 1760 C PRO A 112 9.856 11.695 2.696 1.00 0.00 C ATOM 1761 O PRO A 112 9.006 12.538 2.401 1.00 0.00 O ATOM 1762 CB PRO A 112 9.436 11.289 5.150 1.00 0.00 C ATOM 1763 CG PRO A 112 10.773 11.154 5.791 1.00 0.00 C ATOM 1764 CD PRO A 112 11.364 9.878 5.261 1.00 0.00 C ATOM 0 HA PRO A 112 8.691 10.117 3.443 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.144 12.336 5.062 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.665 10.791 5.738 1.00 0.00 H new ATOM 0 HG2 PRO A 112 11.408 12.007 5.551 1.00 0.00 H new ATOM 0 HG3 PRO A 112 10.683 11.120 6.877 1.00 0.00 H new ATOM 0 HD2 PRO A 112 12.449 9.941 5.181 1.00 0.00 H new ATOM 0 HD3 PRO A 112 11.141 9.032 5.911 1.00 0.00 H new ATOM 1772 N ASN A 113 11.046 11.631 2.108 1.00 0.00 N ATOM 1773 CA ASN A 113 11.440 12.554 1.052 1.00 0.00 C ATOM 1774 C ASN A 113 10.883 12.079 -0.284 1.00 0.00 C ATOM 1775 O ASN A 113 11.039 12.745 -1.306 1.00 0.00 O ATOM 1776 CB ASN A 113 12.967 12.655 0.960 1.00 0.00 C ATOM 1777 CG ASN A 113 13.591 13.437 2.102 1.00 0.00 C ATOM 1778 OD1 ASN A 113 12.957 14.527 2.503 1.00 0.00 O flip ATOM 1779 ND2 ASN A 113 14.644 13.063 2.616 1.00 0.00 N flip ATOM 0 H ASN A 113 11.759 10.943 2.348 1.00 0.00 H new ATOM 0 HA ASN A 113 11.037 13.539 1.289 1.00 0.00 H new ATOM 0 HB2 ASN A 113 13.390 11.650 0.944 1.00 0.00 H new ATOM 0 HB3 ASN A 113 13.236 13.129 0.016 1.00 0.00 H new ATOM 0 HD21 ASN A 113 15.104 12.217 2.279 1.00 0.00 H new ATOM 0 HD22 ASN A 113 15.058 13.599 3.379 1.00 0.00 H new ATOM 1786 N TYR A 114 10.249 10.907 -0.261 1.00 0.00 N ATOM 1787 CA TYR A 114 9.653 10.315 -1.453 1.00 0.00 C ATOM 1788 C TYR A 114 8.627 11.263 -2.072 1.00 0.00 C ATOM 1789 O TYR A 114 7.663 11.669 -1.418 1.00 0.00 O ATOM 1790 CB TYR A 114 9.000 8.976 -1.085 1.00 0.00 C ATOM 1791 CG TYR A 114 8.483 8.170 -2.263 1.00 0.00 C ATOM 1792 CD1 TYR A 114 9.016 8.324 -3.538 1.00 0.00 C ATOM 1793 CD2 TYR A 114 7.457 7.246 -2.091 1.00 0.00 C ATOM 1794 CE1 TYR A 114 8.541 7.587 -4.604 1.00 0.00 C ATOM 1795 CE2 TYR A 114 6.978 6.504 -3.155 1.00 0.00 C ATOM 1796 CZ TYR A 114 7.524 6.680 -4.408 1.00 0.00 C ATOM 1797 OH TYR A 114 7.051 5.947 -5.475 1.00 0.00 O ATOM 0 H TYR A 114 10.136 10.345 0.582 1.00 0.00 H new ATOM 0 HA TYR A 114 10.434 10.140 -2.193 1.00 0.00 H new ATOM 0 HB2 TYR A 114 9.726 8.372 -0.541 1.00 0.00 H new ATOM 0 HB3 TYR A 114 8.171 9.168 -0.404 1.00 0.00 H new ATOM 0 HD1 TYR A 114 9.815 9.033 -3.697 1.00 0.00 H new ATOM 0 HD2 TYR A 114 7.028 7.106 -1.110 1.00 0.00 H new ATOM 0 HE1 TYR A 114 8.965 7.721 -5.588 1.00 0.00 H new ATOM 0 HE2 TYR A 114 6.181 5.791 -3.005 1.00 0.00 H new ATOM 0 HH TYR A 114 7.789 5.750 -6.089 1.00 0.00 H new ATOM 1807 N LEU A 115 8.852 11.615 -3.330 1.00 0.00 N ATOM 1808 CA LEU A 115 7.969 12.522 -4.046 1.00 0.00 C ATOM 1809 C LEU A 115 7.029 11.756 -4.976 1.00 0.00 C ATOM 1810 O LEU A 115 6.889 10.536 -4.870 1.00 0.00 O ATOM 1811 CB LEU A 115 8.770 13.591 -4.834 1.00 0.00 C ATOM 1812 CG LEU A 115 10.056 13.147 -5.576 1.00 0.00 C ATOM 1813 CD1 LEU A 115 11.204 12.904 -4.607 1.00 0.00 C ATOM 1814 CD2 LEU A 115 9.818 11.912 -6.435 1.00 0.00 C ATOM 0 H LEU A 115 9.645 11.283 -3.878 1.00 0.00 H new ATOM 0 HA LEU A 115 7.364 13.041 -3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 115 8.098 14.034 -5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.045 14.382 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 115 10.334 13.967 -6.238 1.00 0.00 H new ATOM 0 HD11 LEU A 115 12.089 12.594 -5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 115 11.421 13.823 -4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.925 12.121 -3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.744 11.634 -6.938 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.487 11.088 -5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.052 12.129 -7.180 1.00 0.00 H new ATOM 2020 N LEU B 390 -5.371 -9.311 -2.661 1.00 0.00 N ATOM 2021 CA LEU B 390 -6.677 -9.338 -3.314 1.00 0.00 C ATOM 2022 C LEU B 390 -7.303 -10.727 -3.208 1.00 0.00 C ATOM 2023 O LEU B 390 -8.501 -10.892 -3.430 1.00 0.00 O ATOM 2024 CB LEU B 390 -6.593 -8.890 -4.775 1.00 0.00 C ATOM 2025 CG LEU B 390 -7.876 -8.244 -5.321 1.00 0.00 C ATOM 2026 CD1 LEU B 390 -8.254 -7.007 -4.511 1.00 0.00 C ATOM 2027 CD2 LEU B 390 -7.712 -7.883 -6.786 1.00 0.00 C ATOM 0 HA LEU B 390 -7.318 -8.627 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU B 390 -5.773 -8.180 -4.877 1.00 0.00 H new ATOM 0 HB3 LEU B 390 -6.346 -9.754 -5.392 1.00 0.00 H new ATOM 0 HG LEU B 390 -8.682 -8.972 -5.229 1.00 0.00 H new ATOM 0 HD11 LEU B 390 -9.165 -6.570 -4.919 1.00 0.00 H new ATOM 0 HD12 LEU B 390 -8.421 -7.290 -3.472 1.00 0.00 H new ATOM 0 HD13 LEU B 390 -7.446 -6.277 -4.563 1.00 0.00 H new ATOM 0 HD21 LEU B 390 -8.631 -7.427 -7.153 1.00 0.00 H new ATOM 0 HD22 LEU B 390 -6.888 -7.178 -6.897 1.00 0.00 H new ATOM 0 HD23 LEU B 390 -7.499 -8.784 -7.361 1.00 0.00 H new ATOM 2039 N GLU B 391 -6.491 -11.725 -2.875 1.00 0.00 N ATOM 2040 CA GLU B 391 -6.993 -13.080 -2.691 1.00 0.00 C ATOM 2041 C GLU B 391 -7.825 -13.115 -1.421 1.00 0.00 C ATOM 2042 O GLU B 391 -8.742 -13.921 -1.276 1.00 0.00 O ATOM 2043 CB GLU B 391 -5.849 -14.092 -2.590 1.00 0.00 C ATOM 2044 CG GLU B 391 -5.383 -14.623 -3.932 1.00 0.00 C ATOM 2045 CD GLU B 391 -6.494 -15.291 -4.712 1.00 0.00 C ATOM 2046 OE1 GLU B 391 -6.851 -16.443 -4.388 1.00 0.00 O ATOM 2047 OE2 GLU B 391 -7.017 -14.669 -5.659 1.00 0.00 O ATOM 0 H GLU B 391 -5.487 -11.621 -2.728 1.00 0.00 H new ATOM 0 HA GLU B 391 -7.599 -13.354 -3.555 1.00 0.00 H new ATOM 0 HB2 GLU B 391 -5.006 -13.624 -2.082 1.00 0.00 H new ATOM 0 HB3 GLU B 391 -6.170 -14.929 -1.970 1.00 0.00 H new ATOM 0 HG2 GLU B 391 -4.974 -13.802 -4.521 1.00 0.00 H new ATOM 0 HG3 GLU B 391 -4.574 -15.337 -3.775 1.00 0.00 H new ATOM 2054 N ARG B 392 -7.493 -12.202 -0.513 1.00 0.00 N ATOM 2055 CA ARG B 392 -8.186 -12.056 0.759 1.00 0.00 C ATOM 2056 C ARG B 392 -9.651 -11.691 0.520 1.00 0.00 C ATOM 2057 O ARG B 392 -10.527 -12.002 1.327 1.00 0.00 O ATOM 2058 CB ARG B 392 -7.494 -10.965 1.583 1.00 0.00 C ATOM 2059 CG ARG B 392 -8.192 -10.622 2.885 1.00 0.00 C ATOM 2060 CD ARG B 392 -7.645 -11.438 4.044 1.00 0.00 C ATOM 2061 NE ARG B 392 -8.429 -12.647 4.277 1.00 0.00 N ATOM 2062 CZ ARG B 392 -7.926 -13.880 4.285 1.00 0.00 C ATOM 2063 NH1 ARG B 392 -6.638 -14.088 4.037 1.00 0.00 N ATOM 2064 NH2 ARG B 392 -8.721 -14.913 4.542 1.00 0.00 N ATOM 0 H ARG B 392 -6.729 -11.538 -0.642 1.00 0.00 H new ATOM 0 HA ARG B 392 -8.152 -12.999 1.305 1.00 0.00 H new ATOM 0 HB2 ARG B 392 -6.476 -11.286 1.805 1.00 0.00 H new ATOM 0 HB3 ARG B 392 -7.419 -10.062 0.977 1.00 0.00 H new ATOM 0 HG2 ARG B 392 -8.068 -9.560 3.096 1.00 0.00 H new ATOM 0 HG3 ARG B 392 -9.262 -10.804 2.784 1.00 0.00 H new ATOM 0 HD2 ARG B 392 -6.610 -11.711 3.839 1.00 0.00 H new ATOM 0 HD3 ARG B 392 -7.641 -10.828 4.947 1.00 0.00 H new ATOM 0 HE ARG B 392 -9.429 -12.540 4.445 1.00 0.00 H new ATOM 0 HH11 ARG B 392 -6.023 -13.299 3.838 1.00 0.00 H new ATOM 0 HH12 ARG B 392 -6.264 -15.037 4.046 1.00 0.00 H new ATOM 0 HH21 ARG B 392 -9.711 -14.760 4.732 1.00 0.00 H new ATOM 0 HH22 ARG B 392 -8.341 -15.860 4.549 1.00 0.00 H new ATOM 2078 N ILE B 393 -9.905 -11.050 -0.617 1.00 0.00 N ATOM 2079 CA ILE B 393 -11.250 -10.634 -0.993 1.00 0.00 C ATOM 2080 C ILE B 393 -12.164 -11.852 -1.155 1.00 0.00 C ATOM 2081 O ILE B 393 -13.359 -11.792 -0.873 1.00 0.00 O ATOM 2082 CB ILE B 393 -11.238 -9.785 -2.295 1.00 0.00 C ATOM 2083 CG1 ILE B 393 -10.999 -8.303 -1.976 1.00 0.00 C ATOM 2084 CG2 ILE B 393 -12.537 -9.941 -3.075 1.00 0.00 C ATOM 2085 CD1 ILE B 393 -9.700 -8.028 -1.253 1.00 0.00 C ATOM 0 H ILE B 393 -9.188 -10.806 -1.300 1.00 0.00 H new ATOM 0 HA ILE B 393 -11.641 -10.008 -0.191 1.00 0.00 H new ATOM 0 HB ILE B 393 -10.420 -10.153 -2.914 1.00 0.00 H new ATOM 0 HG12 ILE B 393 -11.011 -7.736 -2.907 1.00 0.00 H new ATOM 0 HG13 ILE B 393 -11.826 -7.936 -1.368 1.00 0.00 H new ATOM 0 HG21 ILE B 393 -12.494 -9.334 -3.979 1.00 0.00 H new ATOM 0 HG22 ILE B 393 -12.675 -10.987 -3.347 1.00 0.00 H new ATOM 0 HG23 ILE B 393 -13.374 -9.614 -2.458 1.00 0.00 H new ATOM 0 HD11 ILE B 393 -9.608 -6.958 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE B 393 -9.691 -8.565 -0.305 1.00 0.00 H new ATOM 0 HD13 ILE B 393 -8.864 -8.362 -1.867 1.00 0.00 H new ATOM 2097 N ARG B 394 -11.582 -12.970 -1.562 1.00 0.00 N ATOM 2098 CA ARG B 394 -12.343 -14.197 -1.750 1.00 0.00 C ATOM 2099 C ARG B 394 -12.901 -14.686 -0.414 1.00 0.00 C ATOM 2100 O ARG B 394 -13.909 -15.395 -0.364 1.00 0.00 O ATOM 2101 CB ARG B 394 -11.462 -15.267 -2.385 1.00 0.00 C ATOM 2102 CG ARG B 394 -10.872 -14.844 -3.723 1.00 0.00 C ATOM 2103 CD ARG B 394 -9.939 -15.902 -4.284 1.00 0.00 C ATOM 2104 NE ARG B 394 -10.607 -17.187 -4.451 1.00 0.00 N ATOM 2105 CZ ARG B 394 -9.991 -18.364 -4.366 1.00 0.00 C ATOM 2106 NH1 ARG B 394 -8.671 -18.425 -4.210 1.00 0.00 N ATOM 2107 NH2 ARG B 394 -10.692 -19.484 -4.473 1.00 0.00 N ATOM 0 H ARG B 394 -10.587 -13.054 -1.768 1.00 0.00 H new ATOM 0 HA ARG B 394 -13.180 -13.993 -2.418 1.00 0.00 H new ATOM 0 HB2 ARG B 394 -10.651 -15.514 -1.700 1.00 0.00 H new ATOM 0 HB3 ARG B 394 -12.049 -16.175 -2.525 1.00 0.00 H new ATOM 0 HG2 ARG B 394 -11.677 -14.656 -4.433 1.00 0.00 H new ATOM 0 HG3 ARG B 394 -10.329 -13.907 -3.601 1.00 0.00 H new ATOM 0 HD2 ARG B 394 -9.549 -15.568 -5.246 1.00 0.00 H new ATOM 0 HD3 ARG B 394 -9.084 -16.022 -3.618 1.00 0.00 H new ATOM 0 HE ARG B 394 -11.608 -17.184 -4.645 1.00 0.00 H new ATOM 0 HH11 ARG B 394 -8.124 -17.566 -4.155 1.00 0.00 H new ATOM 0 HH12 ARG B 394 -8.206 -19.331 -4.146 1.00 0.00 H new ATOM 0 HH21 ARG B 394 -11.700 -19.442 -4.620 1.00 0.00 H new ATOM 0 HH22 ARG B 394 -10.223 -20.387 -4.408 1.00 0.00 H new ATOM 2121 N ALA B 395 -12.245 -14.292 0.668 1.00 0.00 N ATOM 2122 CA ALA B 395 -12.676 -14.668 2.004 1.00 0.00 C ATOM 2123 C ALA B 395 -13.487 -13.544 2.638 1.00 0.00 C ATOM 2124 O ALA B 395 -14.202 -13.752 3.619 1.00 0.00 O ATOM 2125 CB ALA B 395 -11.478 -15.024 2.865 1.00 0.00 C ATOM 0 H ALA B 395 -11.408 -13.709 0.645 1.00 0.00 H new ATOM 0 HA ALA B 395 -13.316 -15.548 1.930 1.00 0.00 H new ATOM 0 HB1 ALA B 395 -11.817 -15.303 3.863 1.00 0.00 H new ATOM 0 HB2 ALA B 395 -10.943 -15.861 2.416 1.00 0.00 H new ATOM 0 HB3 ALA B 395 -10.812 -14.164 2.936 1.00 0.00 H new ATOM 2131 N LYS B 396 -13.377 -12.350 2.063 1.00 0.00 N ATOM 2132 CA LYS B 396 -14.107 -11.189 2.558 1.00 0.00 C ATOM 2133 C LYS B 396 -15.535 -11.205 2.026 1.00 0.00 C ATOM 2134 O LYS B 396 -16.372 -10.399 2.440 1.00 0.00 O ATOM 2135 CB LYS B 396 -13.419 -9.884 2.135 1.00 0.00 C ATOM 2136 CG LYS B 396 -13.878 -9.375 0.772 1.00 0.00 C ATOM 2137 CD LYS B 396 -13.480 -7.931 0.521 1.00 0.00 C ATOM 2138 CE LYS B 396 -14.436 -6.959 1.197 1.00 0.00 C ATOM 2139 NZ LYS B 396 -14.061 -6.696 2.610 1.00 0.00 N ATOM 0 H LYS B 396 -12.788 -12.162 1.252 1.00 0.00 H new ATOM 0 HA LYS B 396 -14.120 -11.238 3.647 1.00 0.00 H new ATOM 0 HB2 LYS B 396 -13.614 -9.118 2.886 1.00 0.00 H new ATOM 0 HB3 LYS B 396 -12.341 -10.041 2.112 1.00 0.00 H new ATOM 0 HG2 LYS B 396 -13.453 -10.006 -0.009 1.00 0.00 H new ATOM 0 HG3 LYS B 396 -14.962 -9.466 0.701 1.00 0.00 H new ATOM 0 HD2 LYS B 396 -12.468 -7.763 0.890 1.00 0.00 H new ATOM 0 HD3 LYS B 396 -13.464 -7.739 -0.552 1.00 0.00 H new ATOM 0 HE2 LYS B 396 -14.447 -6.019 0.645 1.00 0.00 H new ATOM 0 HE3 LYS B 396 -15.448 -7.362 1.160 1.00 0.00 H new ATOM 0 HZ1 LYS B 396 -14.248 -5.699 2.839 1.00 0.00 H new ATOM 0 HZ2 LYS B 396 -14.622 -7.306 3.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 396 -13.050 -6.898 2.744 1.00 0.00 H new