USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 421 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 30 CYS SG : rot 168:sc= -0.0555 USER MOD Set 1.2: A 33 CYS SG : rot -49:sc= -2.23 USER MOD Set 1.3: A 57 CYS SG : rot -55:sc= 1.84 USER MOD Set 1.4: A 60 CYS SG : rot 70:sc= 1.67 USER MOD Set 2.1: A 15 CYS SG : rot -7:sc= 0.328 USER MOD Set 2.2: A 17 CYS SG : rot -72:sc= -1.78 USER MOD Set 2.3: A 38 HIS : no HE2:sc= -1.6 K(o=-3.4,f=-9!) USER MOD Set 2.4: A 41 CYS SG : rot 180:sc= -0.375 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -1.73 F(o=-3.6!,f=-1.7) USER MOD Single : A 21 TYR OH : rot 155:sc= 0.187 USER MOD Single : A 22 ASN : amide:sc= -1.55! C(o=-1.5!,f=-8.9!) USER MOD Single : A 24 ASN : amide:sc= -0.568 X(o=-0.57,f=-0.44) USER MOD Single : A 25 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.056) USER MOD Single : A 27 MET CE :methyl -170:sc= -8.95! (180deg=-9.99!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.511 K(o=-0.51,f=-2.5) USER MOD Single : A 55 TYR OH : rot 166:sc= -1.41 USER MOD Single : A 56 HIS : no HE2:sc= -1.98 K(o=-2,f=-3.4) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -132:sc= -2.17 (180deg=-2.63!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 128 N PRO A 12 -10.281 14.498 5.412 1.00 0.00 N ATOM 129 CA PRO A 12 -10.288 13.323 6.288 1.00 0.00 C ATOM 130 C PRO A 12 -9.210 12.313 5.911 1.00 0.00 C ATOM 131 O PRO A 12 -8.731 12.295 4.777 1.00 0.00 O ATOM 132 CB PRO A 12 -11.680 12.726 6.070 1.00 0.00 C ATOM 133 CG PRO A 12 -12.080 13.185 4.710 1.00 0.00 C ATOM 134 CD PRO A 12 -11.462 14.544 4.533 1.00 0.00 C ATOM 0 HA PRO A 12 -10.080 13.587 7.325 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.658 11.638 6.130 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.383 13.073 6.828 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.727 12.493 3.945 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.165 13.235 4.618 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.184 14.727 3.495 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.149 15.339 4.824 1.00 0.00 H new ATOM 142 N VAL A 13 -8.832 11.472 6.869 1.00 0.00 N ATOM 143 CA VAL A 13 -7.812 10.457 6.636 1.00 0.00 C ATOM 144 C VAL A 13 -8.422 9.186 6.057 1.00 0.00 C ATOM 145 O VAL A 13 -9.615 8.927 6.221 1.00 0.00 O ATOM 146 CB VAL A 13 -7.062 10.107 7.936 1.00 0.00 C ATOM 147 CG1 VAL A 13 -6.296 11.315 8.452 1.00 0.00 C ATOM 148 CG2 VAL A 13 -8.032 9.590 8.987 1.00 0.00 C ATOM 0 H VAL A 13 -9.217 11.474 7.814 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.107 10.877 5.919 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.343 9.317 7.719 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.773 11.049 9.370 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.573 11.635 7.702 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.993 12.128 8.654 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.486 9.348 9.899 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.777 10.356 9.203 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.530 8.695 8.614 1.00 0.00 H new ATOM 158 N TYR A 14 -7.597 8.395 5.379 1.00 0.00 N ATOM 159 CA TYR A 14 -8.057 7.151 4.774 1.00 0.00 C ATOM 160 C TYR A 14 -7.105 6.003 5.098 1.00 0.00 C ATOM 161 O TYR A 14 -7.530 4.862 5.282 1.00 0.00 O ATOM 162 CB TYR A 14 -8.179 7.313 3.257 1.00 0.00 C ATOM 163 CG TYR A 14 -8.656 8.683 2.831 1.00 0.00 C ATOM 164 CD1 TYR A 14 -10.012 8.964 2.714 1.00 0.00 C ATOM 165 CD2 TYR A 14 -7.750 9.697 2.544 1.00 0.00 C ATOM 166 CE1 TYR A 14 -10.451 10.214 2.325 1.00 0.00 C ATOM 167 CE2 TYR A 14 -8.181 10.951 2.155 1.00 0.00 C ATOM 168 CZ TYR A 14 -9.532 11.204 2.047 1.00 0.00 C ATOM 169 OH TYR A 14 -9.965 12.451 1.658 1.00 0.00 O ATOM 0 H TYR A 14 -6.607 8.593 5.235 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.037 6.915 5.189 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.209 7.117 2.800 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.870 6.562 2.874 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.735 8.191 2.931 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.691 9.502 2.626 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.509 10.415 2.239 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.464 11.728 1.937 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.191 13.032 1.502 1.00 0.00 H new ATOM 179 N CYS A 15 -5.815 6.315 5.169 1.00 0.00 N ATOM 180 CA CYS A 15 -4.802 5.312 5.471 1.00 0.00 C ATOM 181 C CYS A 15 -4.891 4.871 6.930 1.00 0.00 C ATOM 182 O CYS A 15 -5.752 5.335 7.678 1.00 0.00 O ATOM 183 CB CYS A 15 -3.405 5.863 5.178 1.00 0.00 C ATOM 184 SG CYS A 15 -2.194 4.596 4.682 1.00 0.00 S ATOM 0 H CYS A 15 -5.447 7.255 5.021 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.984 4.445 4.836 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.479 6.609 4.387 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.035 6.376 6.066 1.00 0.00 H new ATOM 0 HG CYS A 15 -2.722 3.415 4.816 1.00 0.00 H new ATOM 189 N LEU A 16 -3.995 3.974 7.326 1.00 0.00 N ATOM 190 CA LEU A 16 -3.972 3.470 8.695 1.00 0.00 C ATOM 191 C LEU A 16 -3.109 4.357 9.587 1.00 0.00 C ATOM 192 O LEU A 16 -3.170 4.269 10.814 1.00 0.00 O ATOM 193 CB LEU A 16 -3.445 2.034 8.722 1.00 0.00 C ATOM 194 CG LEU A 16 -3.769 1.177 7.498 1.00 0.00 C ATOM 195 CD1 LEU A 16 -2.673 0.150 7.260 1.00 0.00 C ATOM 196 CD2 LEU A 16 -5.117 0.491 7.669 1.00 0.00 C ATOM 0 H LEU A 16 -3.275 3.581 6.719 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.992 3.483 9.078 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.362 2.068 8.840 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.847 1.537 9.605 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.823 1.829 6.626 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.921 -0.451 6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.725 0.662 7.092 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.586 -0.498 8.132 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.331 -0.115 6.788 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.091 -0.148 8.551 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.896 1.244 7.790 1.00 0.00 H new ATOM 208 N CYS A 17 -2.308 5.214 8.963 1.00 0.00 N ATOM 209 CA CYS A 17 -1.434 6.119 9.699 1.00 0.00 C ATOM 210 C CYS A 17 -2.171 7.403 10.072 1.00 0.00 C ATOM 211 O CYS A 17 -1.565 8.360 10.554 1.00 0.00 O ATOM 212 CB CYS A 17 -0.194 6.454 8.867 1.00 0.00 C ATOM 213 SG CYS A 17 -0.563 6.993 7.167 1.00 0.00 S ATOM 0 H CYS A 17 -2.246 5.301 7.949 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.124 5.618 10.616 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.368 7.240 9.372 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.451 5.576 8.827 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.972 5.976 6.468 1.00 0.00 H new ATOM 218 N ARG A 18 -3.480 7.414 9.847 1.00 0.00 N ATOM 219 CA ARG A 18 -4.300 8.579 10.158 1.00 0.00 C ATOM 220 C ARG A 18 -3.852 9.791 9.347 1.00 0.00 C ATOM 221 O ARG A 18 -3.746 10.897 9.874 1.00 0.00 O ATOM 222 CB ARG A 18 -4.225 8.896 11.653 1.00 0.00 C ATOM 223 CG ARG A 18 -5.117 8.012 12.509 1.00 0.00 C ATOM 224 CD ARG A 18 -4.754 6.543 12.358 1.00 0.00 C ATOM 225 NE ARG A 18 -5.345 5.722 13.412 1.00 0.00 N ATOM 226 CZ ARG A 18 -5.575 4.420 13.287 1.00 0.00 C ATOM 227 NH1 ARG A 18 -5.266 3.794 12.160 1.00 0.00 N ATOM 228 NH2 ARG A 18 -6.116 3.742 14.291 1.00 0.00 N ATOM 0 H ARG A 18 -3.996 6.629 9.450 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.332 8.348 9.893 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.193 8.788 11.987 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.503 9.938 11.809 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.026 8.305 13.555 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.159 8.162 12.226 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.093 6.184 11.386 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.670 6.434 12.378 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.595 6.173 14.292 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.850 4.312 11.386 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.444 2.794 12.067 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.355 4.221 15.159 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.293 2.742 14.195 1.00 0.00 H new ATOM 242 N GLN A 19 -3.591 9.572 8.062 1.00 0.00 N ATOM 243 CA GLN A 19 -3.153 10.647 7.178 1.00 0.00 C ATOM 244 C GLN A 19 -4.135 10.838 6.027 1.00 0.00 C ATOM 245 O GLN A 19 -4.720 9.885 5.513 1.00 0.00 O ATOM 246 CB GLN A 19 -1.757 10.348 6.629 1.00 0.00 C ATOM 247 CG GLN A 19 -0.688 10.250 7.706 1.00 0.00 C ATOM 248 CD GLN A 19 -0.735 11.409 8.682 1.00 0.00 C ATOM 249 OE1 GLN A 19 -1.323 11.177 9.849 1.00 0.00 O flip ATOM 250 NE2 GLN A 19 -0.249 12.502 8.390 1.00 0.00 N flip ATOM 0 H GLN A 19 -3.675 8.661 7.610 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.117 11.569 7.758 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -1.787 9.411 6.073 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -1.478 11.130 5.922 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.812 9.315 8.252 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.295 10.216 7.235 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.194 12.637 7.481 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.289 13.273 9.057 1.00 0.00 H new ATOM 259 N PRO A 20 -4.322 12.100 5.612 1.00 0.00 N ATOM 260 CA PRO A 20 -5.233 12.446 4.517 1.00 0.00 C ATOM 261 C PRO A 20 -4.716 11.973 3.162 1.00 0.00 C ATOM 262 O PRO A 20 -5.399 11.236 2.450 1.00 0.00 O ATOM 263 CB PRO A 20 -5.281 13.976 4.566 1.00 0.00 C ATOM 264 CG PRO A 20 -3.993 14.375 5.199 1.00 0.00 C ATOM 265 CD PRO A 20 -3.658 13.286 6.180 1.00 0.00 C ATOM 0 HA PRO A 20 -6.207 11.971 4.632 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -5.380 14.401 3.567 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.133 14.327 5.148 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.207 14.482 4.451 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.087 15.338 5.702 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.581 13.141 6.267 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.030 13.516 7.178 1.00 0.00 H new ATOM 273 N TYR A 21 -3.508 12.401 2.812 1.00 0.00 N ATOM 274 CA TYR A 21 -2.902 12.023 1.542 1.00 0.00 C ATOM 275 C TYR A 21 -1.504 12.619 1.407 1.00 0.00 C ATOM 276 O TYR A 21 -1.337 13.837 1.371 1.00 0.00 O ATOM 277 CB TYR A 21 -3.779 12.483 0.376 1.00 0.00 C ATOM 278 CG TYR A 21 -3.475 11.778 -0.926 1.00 0.00 C ATOM 279 CD1 TYR A 21 -2.164 11.578 -1.340 1.00 0.00 C ATOM 280 CD2 TYR A 21 -4.498 11.313 -1.743 1.00 0.00 C ATOM 281 CE1 TYR A 21 -1.880 10.935 -2.530 1.00 0.00 C ATOM 282 CE2 TYR A 21 -4.224 10.668 -2.934 1.00 0.00 C ATOM 283 CZ TYR A 21 -2.914 10.482 -3.323 1.00 0.00 C ATOM 284 OH TYR A 21 -2.637 9.841 -4.508 1.00 0.00 O ATOM 0 H TYR A 21 -2.930 13.010 3.391 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.819 10.936 1.518 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.825 12.318 0.633 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.650 13.556 0.237 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.352 11.931 -0.721 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.525 11.458 -1.442 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.855 10.788 -2.837 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.031 10.312 -3.557 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.384 9.252 -4.744 1.00 0.00 H new ATOM 294 N ASN A 22 -0.502 11.749 1.331 1.00 0.00 N ATOM 295 CA ASN A 22 0.883 12.187 1.199 1.00 0.00 C ATOM 296 C ASN A 22 1.397 11.947 -0.217 1.00 0.00 C ATOM 297 O ASN A 22 2.237 11.076 -0.444 1.00 0.00 O ATOM 298 CB ASN A 22 1.770 11.454 2.207 1.00 0.00 C ATOM 299 CG ASN A 22 1.218 11.520 3.618 1.00 0.00 C ATOM 300 OD1 ASN A 22 0.007 11.614 3.819 1.00 0.00 O ATOM 301 ND2 ASN A 22 2.106 11.470 4.604 1.00 0.00 N ATOM 0 H ASN A 22 -0.623 10.737 1.359 1.00 0.00 H new ATOM 0 HA ASN A 22 0.920 13.257 1.403 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.870 10.411 1.907 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.770 11.888 2.190 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.794 11.510 5.574 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.101 11.392 4.391 1.00 0.00 H new ATOM 308 N VAL A 23 0.888 12.726 -1.166 1.00 0.00 N ATOM 309 CA VAL A 23 1.297 12.600 -2.560 1.00 0.00 C ATOM 310 C VAL A 23 2.815 12.628 -2.692 1.00 0.00 C ATOM 311 O VAL A 23 3.384 11.982 -3.571 1.00 0.00 O ATOM 312 CB VAL A 23 0.696 13.724 -3.425 1.00 0.00 C ATOM 313 CG1 VAL A 23 1.235 13.651 -4.845 1.00 0.00 C ATOM 314 CG2 VAL A 23 -0.823 13.647 -3.418 1.00 0.00 C ATOM 0 H VAL A 23 0.191 13.451 -0.995 1.00 0.00 H new ATOM 0 HA VAL A 23 0.922 11.640 -2.914 1.00 0.00 H new ATOM 0 HB VAL A 23 0.990 14.683 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.799 14.453 -5.441 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.319 13.759 -4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.973 12.689 -5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.231 14.448 -4.034 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.140 12.684 -3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.188 13.753 -2.396 1.00 0.00 H new ATOM 324 N ASN A 24 3.466 13.381 -1.811 1.00 0.00 N ATOM 325 CA ASN A 24 4.920 13.494 -1.829 1.00 0.00 C ATOM 326 C ASN A 24 5.571 12.118 -1.930 1.00 0.00 C ATOM 327 O ASN A 24 6.721 11.993 -2.355 1.00 0.00 O ATOM 328 CB ASN A 24 5.413 14.212 -0.571 1.00 0.00 C ATOM 329 CG ASN A 24 4.492 15.342 -0.153 1.00 0.00 C ATOM 330 OD1 ASN A 24 4.144 15.473 1.020 1.00 0.00 O ATOM 331 ND2 ASN A 24 4.092 16.166 -1.115 1.00 0.00 N ATOM 0 H ASN A 24 3.010 13.922 -1.076 1.00 0.00 H new ATOM 0 HA ASN A 24 5.203 14.076 -2.706 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.496 13.494 0.245 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.412 14.609 -0.750 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.472 16.945 -0.894 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.405 16.020 -2.075 1.00 0.00 H new ATOM 338 N HIS A 25 4.829 11.087 -1.538 1.00 0.00 N ATOM 339 CA HIS A 25 5.333 9.720 -1.586 1.00 0.00 C ATOM 340 C HIS A 25 4.564 8.892 -2.611 1.00 0.00 C ATOM 341 O HIS A 25 5.015 8.710 -3.741 1.00 0.00 O ATOM 342 CB HIS A 25 5.231 9.068 -0.206 1.00 0.00 C ATOM 343 CG HIS A 25 6.447 9.270 0.643 1.00 0.00 C ATOM 344 ND1 HIS A 25 6.400 9.349 2.019 1.00 0.00 N ATOM 345 CD2 HIS A 25 7.751 9.408 0.305 1.00 0.00 C ATOM 346 CE1 HIS A 25 7.621 9.529 2.490 1.00 0.00 C ATOM 347 NE2 HIS A 25 8.459 9.568 1.471 1.00 0.00 N ATOM 0 H HIS A 25 3.876 11.173 -1.184 1.00 0.00 H new ATOM 0 HA HIS A 25 6.380 9.756 -1.887 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.363 9.473 0.315 1.00 0.00 H new ATOM 0 HB3 HIS A 25 5.058 7.999 -0.330 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.158 9.395 -0.695 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.888 9.628 3.532 1.00 0.00 H new ATOM 0 HE2 HIS A 25 9.469 9.696 1.539 1.00 0.00 H new ATOM 356 N PHE A 26 3.400 8.393 -2.208 1.00 0.00 N ATOM 357 CA PHE A 26 2.568 7.583 -3.090 1.00 0.00 C ATOM 358 C PHE A 26 1.295 7.135 -2.379 1.00 0.00 C ATOM 359 O PHE A 26 1.243 7.085 -1.150 1.00 0.00 O ATOM 360 CB PHE A 26 3.348 6.362 -3.582 1.00 0.00 C ATOM 361 CG PHE A 26 2.474 5.281 -4.151 1.00 0.00 C ATOM 362 CD1 PHE A 26 1.933 4.305 -3.330 1.00 0.00 C ATOM 363 CD2 PHE A 26 2.192 5.242 -5.507 1.00 0.00 C ATOM 364 CE1 PHE A 26 1.128 3.309 -3.851 1.00 0.00 C ATOM 365 CE2 PHE A 26 1.387 4.250 -6.033 1.00 0.00 C ATOM 366 CZ PHE A 26 0.855 3.281 -5.204 1.00 0.00 C ATOM 0 H PHE A 26 3.011 8.536 -1.276 1.00 0.00 H new ATOM 0 HA PHE A 26 2.287 8.196 -3.947 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.062 6.679 -4.343 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.926 5.952 -2.754 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.143 4.322 -2.271 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.606 5.996 -6.160 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.713 2.554 -3.200 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.174 4.232 -7.092 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.227 2.504 -5.614 1.00 0.00 H new ATOM 376 N MET A 27 0.270 6.811 -3.160 1.00 0.00 N ATOM 377 CA MET A 27 -1.003 6.366 -2.605 1.00 0.00 C ATOM 378 C MET A 27 -1.873 5.729 -3.684 1.00 0.00 C ATOM 379 O MET A 27 -1.686 5.981 -4.875 1.00 0.00 O ATOM 380 CB MET A 27 -1.743 7.542 -1.965 1.00 0.00 C ATOM 381 CG MET A 27 -1.236 7.896 -0.577 1.00 0.00 C ATOM 382 SD MET A 27 -2.514 8.628 0.463 1.00 0.00 S ATOM 383 CE MET A 27 -3.380 7.162 1.019 1.00 0.00 C ATOM 0 H MET A 27 0.296 6.848 -4.179 1.00 0.00 H new ATOM 0 HA MET A 27 -0.796 5.617 -1.841 1.00 0.00 H new ATOM 0 HB2 MET A 27 -1.649 8.415 -2.611 1.00 0.00 H new ATOM 0 HB3 MET A 27 -2.805 7.303 -1.905 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.851 6.997 -0.095 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.402 8.592 -0.666 1.00 0.00 H new ATOM 0 HE1 MET A 27 -4.301 7.453 1.525 1.00 0.00 H new ATOM 0 HE2 MET A 27 -3.620 6.534 0.161 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.747 6.606 1.710 1.00 0.00 H new ATOM 393 N ILE A 28 -2.824 4.903 -3.260 1.00 0.00 N ATOM 394 CA ILE A 28 -3.722 4.231 -4.190 1.00 0.00 C ATOM 395 C ILE A 28 -5.167 4.304 -3.708 1.00 0.00 C ATOM 396 O ILE A 28 -5.467 4.964 -2.714 1.00 0.00 O ATOM 397 CB ILE A 28 -3.331 2.754 -4.383 1.00 0.00 C ATOM 398 CG1 ILE A 28 -2.414 2.294 -3.248 1.00 0.00 C ATOM 399 CG2 ILE A 28 -2.653 2.558 -5.731 1.00 0.00 C ATOM 400 CD1 ILE A 28 -3.131 2.114 -1.928 1.00 0.00 C ATOM 0 H ILE A 28 -2.992 4.683 -2.278 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.633 4.749 -5.145 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.237 2.148 -4.362 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.946 1.351 -3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.613 3.022 -3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.382 1.509 -5.853 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.336 2.852 -6.528 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.754 3.173 -5.779 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.420 1.787 -1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.576 3.061 -1.624 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.914 1.364 -2.039 1.00 0.00 H new ATOM 412 N GLU A 29 -6.058 3.618 -4.418 1.00 0.00 N ATOM 413 CA GLU A 29 -7.471 3.605 -4.061 1.00 0.00 C ATOM 414 C GLU A 29 -8.042 2.192 -4.152 1.00 0.00 C ATOM 415 O GLU A 29 -7.826 1.485 -5.137 1.00 0.00 O ATOM 416 CB GLU A 29 -8.260 4.545 -4.975 1.00 0.00 C ATOM 417 CG GLU A 29 -9.705 4.738 -4.548 1.00 0.00 C ATOM 418 CD GLU A 29 -10.519 5.504 -5.573 1.00 0.00 C ATOM 419 OE1 GLU A 29 -9.944 6.381 -6.251 1.00 0.00 O ATOM 420 OE2 GLU A 29 -11.730 5.227 -5.697 1.00 0.00 O ATOM 0 H GLU A 29 -5.826 3.065 -5.243 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.562 3.950 -3.031 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.764 5.515 -4.999 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.240 4.152 -5.991 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.164 3.764 -4.380 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.731 5.271 -3.597 1.00 0.00 H new ATOM 427 N CYS A 30 -8.770 1.787 -3.117 1.00 0.00 N ATOM 428 CA CYS A 30 -9.371 0.459 -3.077 1.00 0.00 C ATOM 429 C CYS A 30 -10.665 0.424 -3.886 1.00 0.00 C ATOM 430 O CYS A 30 -11.568 1.230 -3.669 1.00 0.00 O ATOM 431 CB CYS A 30 -9.650 0.046 -1.631 1.00 0.00 C ATOM 432 SG CYS A 30 -10.551 -1.529 -1.468 1.00 0.00 S ATOM 0 H CYS A 30 -8.958 2.360 -2.294 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.666 -0.245 -3.519 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.703 -0.033 -1.098 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -10.225 0.833 -1.144 1.00 0.00 H new ATOM 0 HG CYS A 30 -10.516 -1.923 -0.229 1.00 0.00 H new ATOM 437 N GLY A 31 -10.745 -0.518 -4.821 1.00 0.00 N ATOM 438 CA GLY A 31 -11.931 -0.643 -5.649 1.00 0.00 C ATOM 439 C GLY A 31 -13.034 -1.428 -4.967 1.00 0.00 C ATOM 440 O GLY A 31 -13.855 -2.063 -5.631 1.00 0.00 O ATOM 0 H GLY A 31 -10.010 -1.197 -5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.300 0.351 -5.902 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.666 -1.133 -6.586 1.00 0.00 H new ATOM 444 N LEU A 32 -13.053 -1.389 -3.640 1.00 0.00 N ATOM 445 CA LEU A 32 -14.062 -2.105 -2.867 1.00 0.00 C ATOM 446 C LEU A 32 -14.742 -1.176 -1.866 1.00 0.00 C ATOM 447 O LEU A 32 -15.969 -1.133 -1.777 1.00 0.00 O ATOM 448 CB LEU A 32 -13.428 -3.288 -2.134 1.00 0.00 C ATOM 449 CG LEU A 32 -12.652 -4.279 -3.003 1.00 0.00 C ATOM 450 CD1 LEU A 32 -12.001 -5.349 -2.140 1.00 0.00 C ATOM 451 CD2 LEU A 32 -13.570 -4.911 -4.039 1.00 0.00 C ATOM 0 H LEU A 32 -12.381 -0.869 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.817 -2.478 -3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.753 -2.898 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.216 -3.832 -1.614 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.865 -3.736 -3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.453 -6.045 -2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.312 -4.880 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.770 -5.889 -1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.002 -5.613 -4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.378 -5.440 -3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.989 -4.133 -4.677 1.00 0.00 H new ATOM 463 N CYS A 33 -13.936 -0.432 -1.116 1.00 0.00 N ATOM 464 CA CYS A 33 -14.458 0.498 -0.122 1.00 0.00 C ATOM 465 C CYS A 33 -14.135 1.940 -0.504 1.00 0.00 C ATOM 466 O CYS A 33 -14.555 2.879 0.171 1.00 0.00 O ATOM 467 CB CYS A 33 -13.877 0.182 1.258 1.00 0.00 C ATOM 468 SG CYS A 33 -12.064 0.328 1.352 1.00 0.00 S ATOM 0 H CYS A 33 -12.918 -0.455 -1.178 1.00 0.00 H new ATOM 0 HA CYS A 33 -15.541 0.383 -0.087 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -14.323 0.854 1.991 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -14.164 -0.831 1.538 1.00 0.00 H new ATOM 0 HG CYS A 33 -11.524 -0.324 0.365 1.00 0.00 H new ATOM 473 N GLN A 34 -13.387 2.105 -1.590 1.00 0.00 N ATOM 474 CA GLN A 34 -13.007 3.432 -2.061 1.00 0.00 C ATOM 475 C GLN A 34 -12.155 4.154 -1.023 1.00 0.00 C ATOM 476 O GLN A 34 -12.394 5.321 -0.712 1.00 0.00 O ATOM 477 CB GLN A 34 -14.254 4.259 -2.379 1.00 0.00 C ATOM 478 CG GLN A 34 -15.028 3.752 -3.585 1.00 0.00 C ATOM 479 CD GLN A 34 -15.765 4.859 -4.313 1.00 0.00 C ATOM 480 OE1 GLN A 34 -16.387 5.721 -3.690 1.00 0.00 O ATOM 481 NE2 GLN A 34 -15.700 4.843 -5.639 1.00 0.00 N ATOM 0 H GLN A 34 -13.032 1.337 -2.160 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.417 3.313 -2.970 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -14.911 4.259 -1.510 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -13.959 5.293 -2.556 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -14.339 3.264 -4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -15.744 2.996 -3.261 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -15.174 4.110 -6.115 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -16.176 5.563 -6.182 1.00 0.00 H new ATOM 490 N ASP A 35 -11.159 3.454 -0.491 1.00 0.00 N ATOM 491 CA ASP A 35 -10.270 4.029 0.511 1.00 0.00 C ATOM 492 C ASP A 35 -8.875 4.254 -0.064 1.00 0.00 C ATOM 493 O ASP A 35 -8.465 3.575 -1.006 1.00 0.00 O ATOM 494 CB ASP A 35 -10.189 3.116 1.736 1.00 0.00 C ATOM 495 CG ASP A 35 -11.381 3.277 2.658 1.00 0.00 C ATOM 496 OD1 ASP A 35 -12.519 3.032 2.206 1.00 0.00 O ATOM 497 OD2 ASP A 35 -11.176 3.648 3.833 1.00 0.00 O ATOM 0 H ASP A 35 -10.947 2.487 -0.737 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.679 4.993 0.812 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.124 2.078 1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.275 3.334 2.288 1.00 0.00 H new ATOM 502 N TRP A 36 -8.153 5.210 0.507 1.00 0.00 N ATOM 503 CA TRP A 36 -6.804 5.525 0.050 1.00 0.00 C ATOM 504 C TRP A 36 -5.765 5.087 1.076 1.00 0.00 C ATOM 505 O TRP A 36 -5.980 5.208 2.282 1.00 0.00 O ATOM 506 CB TRP A 36 -6.672 7.025 -0.220 1.00 0.00 C ATOM 507 CG TRP A 36 -7.410 7.476 -1.444 1.00 0.00 C ATOM 508 CD1 TRP A 36 -8.734 7.800 -1.529 1.00 0.00 C ATOM 509 CD2 TRP A 36 -6.867 7.649 -2.757 1.00 0.00 C ATOM 510 NE1 TRP A 36 -9.047 8.165 -2.816 1.00 0.00 N ATOM 511 CE2 TRP A 36 -7.919 8.082 -3.589 1.00 0.00 C ATOM 512 CE3 TRP A 36 -5.595 7.483 -3.311 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -7.734 8.348 -4.943 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -5.414 7.748 -4.655 1.00 0.00 C ATOM 515 CH2 TRP A 36 -6.479 8.177 -5.459 1.00 0.00 C ATOM 0 H TRP A 36 -8.478 5.781 1.287 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.624 4.979 -0.876 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.044 7.576 0.644 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.617 7.276 -0.328 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.432 7.773 -0.706 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -9.970 8.451 -3.143 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.768 7.153 -2.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -8.553 8.678 -5.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.435 7.622 -5.094 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.305 8.376 -6.506 1.00 0.00 H new ATOM 526 N PHE A 37 -4.638 4.578 0.590 1.00 0.00 N ATOM 527 CA PHE A 37 -3.565 4.121 1.466 1.00 0.00 C ATOM 528 C PHE A 37 -2.199 4.450 0.871 1.00 0.00 C ATOM 529 O PHE A 37 -2.102 4.939 -0.255 1.00 0.00 O ATOM 530 CB PHE A 37 -3.680 2.614 1.706 1.00 0.00 C ATOM 531 CG PHE A 37 -5.004 2.198 2.280 1.00 0.00 C ATOM 532 CD1 PHE A 37 -6.117 2.068 1.466 1.00 0.00 C ATOM 533 CD2 PHE A 37 -5.135 1.937 3.635 1.00 0.00 C ATOM 534 CE1 PHE A 37 -7.337 1.685 1.991 1.00 0.00 C ATOM 535 CE2 PHE A 37 -6.352 1.553 4.166 1.00 0.00 C ATOM 536 CZ PHE A 37 -7.454 1.428 3.343 1.00 0.00 C ATOM 0 H PHE A 37 -4.444 4.471 -0.406 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.662 4.642 2.419 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.521 2.091 0.763 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.885 2.300 2.382 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.031 2.268 0.408 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.277 2.035 4.283 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.197 1.587 1.345 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.441 1.351 5.223 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.406 1.130 3.756 1.00 0.00 H new ATOM 546 N HIS A 38 -1.146 4.178 1.635 1.00 0.00 N ATOM 547 CA HIS A 38 0.215 4.445 1.185 1.00 0.00 C ATOM 548 C HIS A 38 0.890 3.163 0.707 1.00 0.00 C ATOM 549 O HIS A 38 0.492 2.062 1.084 1.00 0.00 O ATOM 550 CB HIS A 38 1.033 5.077 2.311 1.00 0.00 C ATOM 551 CG HIS A 38 0.651 6.495 2.606 1.00 0.00 C ATOM 552 ND1 HIS A 38 -0.014 6.872 3.754 1.00 0.00 N ATOM 553 CD2 HIS A 38 0.845 7.631 1.896 1.00 0.00 C ATOM 554 CE1 HIS A 38 -0.214 8.178 3.736 1.00 0.00 C ATOM 555 NE2 HIS A 38 0.299 8.662 2.619 1.00 0.00 N ATOM 0 H HIS A 38 -1.209 3.773 2.569 1.00 0.00 H new ATOM 0 HA HIS A 38 0.165 5.142 0.349 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.912 4.481 3.216 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.090 5.042 2.045 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -0.306 6.241 4.500 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.338 7.711 0.938 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.712 8.752 4.504 1.00 0.00 H new ATOM 563 N GLY A 39 1.915 3.314 -0.127 1.00 0.00 N ATOM 564 CA GLY A 39 2.628 2.161 -0.643 1.00 0.00 C ATOM 565 C GLY A 39 3.488 1.491 0.411 1.00 0.00 C ATOM 566 O GLY A 39 3.724 0.285 0.355 1.00 0.00 O ATOM 0 H GLY A 39 2.264 4.215 -0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.911 1.440 -1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.257 2.470 -1.478 1.00 0.00 H new ATOM 570 N SER A 40 3.959 2.277 1.375 1.00 0.00 N ATOM 571 CA SER A 40 4.802 1.754 2.444 1.00 0.00 C ATOM 572 C SER A 40 3.954 1.160 3.564 1.00 0.00 C ATOM 573 O SER A 40 4.382 0.241 4.263 1.00 0.00 O ATOM 574 CB SER A 40 5.700 2.860 3.001 1.00 0.00 C ATOM 575 OG SER A 40 6.436 2.403 4.122 1.00 0.00 O ATOM 0 H SER A 40 3.771 3.278 1.437 1.00 0.00 H new ATOM 0 HA SER A 40 5.426 0.964 2.027 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.386 3.201 2.226 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.091 3.718 3.287 1.00 0.00 H new ATOM 0 HG SER A 40 7.003 3.128 4.459 1.00 0.00 H new ATOM 581 N CYS A 41 2.747 1.690 3.728 1.00 0.00 N ATOM 582 CA CYS A 41 1.836 1.215 4.763 1.00 0.00 C ATOM 583 C CYS A 41 1.154 -0.081 4.333 1.00 0.00 C ATOM 584 O CYS A 41 0.826 -0.928 5.164 1.00 0.00 O ATOM 585 CB CYS A 41 0.783 2.280 5.073 1.00 0.00 C ATOM 586 SG CYS A 41 1.454 3.787 5.845 1.00 0.00 S ATOM 0 H CYS A 41 2.376 2.450 3.157 1.00 0.00 H new ATOM 0 HA CYS A 41 2.419 1.018 5.663 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.275 2.554 4.148 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.031 1.850 5.734 1.00 0.00 H new ATOM 0 HG CYS A 41 0.488 4.628 6.067 1.00 0.00 H new ATOM 591 N VAL A 42 0.944 -0.228 3.029 1.00 0.00 N ATOM 592 CA VAL A 42 0.302 -1.421 2.488 1.00 0.00 C ATOM 593 C VAL A 42 1.316 -2.322 1.792 1.00 0.00 C ATOM 594 O VAL A 42 1.317 -3.537 1.985 1.00 0.00 O ATOM 595 CB VAL A 42 -0.813 -1.055 1.491 1.00 0.00 C ATOM 596 CG1 VAL A 42 -1.644 0.104 2.021 1.00 0.00 C ATOM 597 CG2 VAL A 42 -0.221 -0.719 0.130 1.00 0.00 C ATOM 0 H VAL A 42 1.209 0.464 2.328 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.136 -1.955 3.331 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.469 -1.917 1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.427 0.349 1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.098 -0.178 2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.003 0.973 2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.023 -0.463 -0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.458 0.128 0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.326 -1.581 -0.252 1.00 0.00 H new ATOM 607 N GLY A 43 2.178 -1.717 0.980 1.00 0.00 N ATOM 608 CA GLY A 43 3.186 -2.480 0.267 1.00 0.00 C ATOM 609 C GLY A 43 3.002 -2.421 -1.236 1.00 0.00 C ATOM 610 O GLY A 43 3.132 -3.434 -1.924 1.00 0.00 O ATOM 0 H GLY A 43 2.196 -0.713 0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.175 -2.100 0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.149 -3.519 0.594 1.00 0.00 H new ATOM 614 N ILE A 44 2.696 -1.233 -1.747 1.00 0.00 N ATOM 615 CA ILE A 44 2.493 -1.047 -3.178 1.00 0.00 C ATOM 616 C ILE A 44 3.335 0.109 -3.707 1.00 0.00 C ATOM 617 O ILE A 44 3.188 1.248 -3.267 1.00 0.00 O ATOM 618 CB ILE A 44 1.012 -0.782 -3.507 1.00 0.00 C ATOM 619 CG1 ILE A 44 0.174 -2.031 -3.231 1.00 0.00 C ATOM 620 CG2 ILE A 44 0.862 -0.345 -4.957 1.00 0.00 C ATOM 621 CD1 ILE A 44 -1.317 -1.793 -3.329 1.00 0.00 C ATOM 0 H ILE A 44 2.583 -0.385 -1.191 1.00 0.00 H new ATOM 0 HA ILE A 44 2.804 -1.972 -3.664 1.00 0.00 H new ATOM 0 HB ILE A 44 0.651 0.023 -2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.456 -2.811 -3.938 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.409 -2.403 -2.234 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.190 -0.161 -5.175 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.432 0.569 -5.122 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.237 -1.130 -5.614 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.848 -2.722 -3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.613 -1.036 -2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.565 -1.450 -4.333 1.00 0.00 H new ATOM 633 N GLU A 45 4.216 -0.193 -4.656 1.00 0.00 N ATOM 634 CA GLU A 45 5.081 0.822 -5.246 1.00 0.00 C ATOM 635 C GLU A 45 4.378 1.531 -6.400 1.00 0.00 C ATOM 636 O GLU A 45 3.520 0.954 -7.065 1.00 0.00 O ATOM 637 CB GLU A 45 6.384 0.190 -5.739 1.00 0.00 C ATOM 638 CG GLU A 45 7.390 -0.073 -4.631 1.00 0.00 C ATOM 639 CD GLU A 45 8.708 -0.609 -5.155 1.00 0.00 C ATOM 640 OE1 GLU A 45 9.204 -0.077 -6.170 1.00 0.00 O ATOM 641 OE2 GLU A 45 9.244 -1.561 -4.549 1.00 0.00 O ATOM 0 H GLU A 45 4.349 -1.132 -5.032 1.00 0.00 H new ATOM 0 HA GLU A 45 5.312 1.558 -4.476 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.155 -0.750 -6.241 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.838 0.846 -6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.570 0.851 -4.082 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.967 -0.786 -3.924 1.00 0.00 H new ATOM 648 N GLU A 46 4.750 2.787 -6.629 1.00 0.00 N ATOM 649 CA GLU A 46 4.155 3.575 -7.702 1.00 0.00 C ATOM 650 C GLU A 46 4.368 2.902 -9.055 1.00 0.00 C ATOM 651 O GLU A 46 3.461 2.854 -9.885 1.00 0.00 O ATOM 652 CB GLU A 46 4.752 4.984 -7.721 1.00 0.00 C ATOM 653 CG GLU A 46 3.998 5.952 -8.617 1.00 0.00 C ATOM 654 CD GLU A 46 4.417 7.394 -8.402 1.00 0.00 C ATOM 655 OE1 GLU A 46 5.393 7.831 -9.046 1.00 0.00 O ATOM 656 OE2 GLU A 46 3.768 8.084 -7.588 1.00 0.00 O ATOM 0 H GLU A 46 5.460 3.280 -6.087 1.00 0.00 H new ATOM 0 HA GLU A 46 3.083 3.644 -7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.765 5.378 -6.705 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.788 4.926 -8.054 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.164 5.681 -9.660 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.928 5.857 -8.430 1.00 0.00 H new ATOM 663 N GLU A 47 5.574 2.385 -9.268 1.00 0.00 N ATOM 664 CA GLU A 47 5.906 1.716 -10.521 1.00 0.00 C ATOM 665 C GLU A 47 4.986 0.522 -10.761 1.00 0.00 C ATOM 666 O GLU A 47 4.727 0.145 -11.903 1.00 0.00 O ATOM 667 CB GLU A 47 7.365 1.255 -10.507 1.00 0.00 C ATOM 668 CG GLU A 47 7.689 0.293 -9.375 1.00 0.00 C ATOM 669 CD GLU A 47 9.158 0.308 -9.000 1.00 0.00 C ATOM 670 OE1 GLU A 47 9.611 1.317 -8.419 1.00 0.00 O ATOM 671 OE2 GLU A 47 9.854 -0.688 -9.286 1.00 0.00 O ATOM 0 H GLU A 47 6.336 2.416 -8.591 1.00 0.00 H new ATOM 0 HA GLU A 47 5.765 2.430 -11.333 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.594 0.774 -11.458 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.012 2.128 -10.427 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.092 0.552 -8.501 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.403 -0.717 -9.668 1.00 0.00 H new ATOM 678 N ASN A 48 4.496 -0.068 -9.675 1.00 0.00 N ATOM 679 CA ASN A 48 3.606 -1.219 -9.767 1.00 0.00 C ATOM 680 C ASN A 48 2.146 -0.778 -9.795 1.00 0.00 C ATOM 681 O ASN A 48 1.288 -1.469 -10.342 1.00 0.00 O ATOM 682 CB ASN A 48 3.842 -2.167 -8.590 1.00 0.00 C ATOM 683 CG ASN A 48 5.257 -2.712 -8.560 1.00 0.00 C ATOM 684 OD1 ASN A 48 6.007 -2.575 -9.526 1.00 0.00 O ATOM 685 ND2 ASN A 48 5.629 -3.333 -7.446 1.00 0.00 N ATOM 0 H ASN A 48 4.700 0.232 -8.722 1.00 0.00 H new ATOM 0 HA ASN A 48 3.826 -1.743 -10.697 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.638 -1.641 -7.657 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.137 -2.997 -8.648 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.570 -3.719 -7.367 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.974 -3.424 -6.669 1.00 0.00 H new ATOM 692 N ALA A 49 1.873 0.379 -9.201 1.00 0.00 N ATOM 693 CA ALA A 49 0.518 0.915 -9.159 1.00 0.00 C ATOM 694 C ALA A 49 -0.080 1.005 -10.559 1.00 0.00 C ATOM 695 O ALA A 49 -1.255 0.699 -10.764 1.00 0.00 O ATOM 696 CB ALA A 49 0.511 2.282 -8.492 1.00 0.00 C ATOM 0 H ALA A 49 2.572 0.963 -8.742 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.097 0.233 -8.572 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.507 2.670 -8.468 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.889 2.192 -7.474 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.146 2.965 -9.056 1.00 0.00 H new ATOM 702 N VAL A 50 0.735 1.427 -11.520 1.00 0.00 N ATOM 703 CA VAL A 50 0.287 1.556 -12.901 1.00 0.00 C ATOM 704 C VAL A 50 -0.123 0.204 -13.475 1.00 0.00 C ATOM 705 O VAL A 50 -0.672 0.126 -14.574 1.00 0.00 O ATOM 706 CB VAL A 50 1.384 2.169 -13.793 1.00 0.00 C ATOM 707 CG1 VAL A 50 2.630 1.297 -13.782 1.00 0.00 C ATOM 708 CG2 VAL A 50 0.870 2.362 -15.211 1.00 0.00 C ATOM 0 H VAL A 50 1.710 1.686 -11.367 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.577 2.221 -12.892 1.00 0.00 H new ATOM 0 HB VAL A 50 1.651 3.147 -13.392 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.394 1.746 -14.417 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.008 1.215 -12.763 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.383 0.304 -14.158 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.657 2.796 -15.828 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.574 1.398 -15.625 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.009 3.031 -15.198 1.00 0.00 H new ATOM 718 N ASP A 51 0.148 -0.857 -12.724 1.00 0.00 N ATOM 719 CA ASP A 51 -0.194 -2.207 -13.157 1.00 0.00 C ATOM 720 C ASP A 51 -1.334 -2.775 -12.318 1.00 0.00 C ATOM 721 O ASP A 51 -1.799 -3.889 -12.558 1.00 0.00 O ATOM 722 CB ASP A 51 1.029 -3.121 -13.064 1.00 0.00 C ATOM 723 CG ASP A 51 1.042 -4.184 -14.145 1.00 0.00 C ATOM 724 OD1 ASP A 51 0.038 -4.916 -14.268 1.00 0.00 O ATOM 725 OD2 ASP A 51 2.056 -4.284 -14.867 1.00 0.00 O ATOM 0 H ASP A 51 0.603 -0.809 -11.813 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.522 -2.156 -14.195 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.935 -2.519 -13.139 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.046 -3.602 -12.086 1.00 0.00 H new ATOM 730 N ILE A 52 -1.778 -2.002 -11.332 1.00 0.00 N ATOM 731 CA ILE A 52 -2.863 -2.428 -10.457 1.00 0.00 C ATOM 732 C ILE A 52 -4.204 -1.886 -10.940 1.00 0.00 C ATOM 733 O ILE A 52 -4.596 -0.773 -10.593 1.00 0.00 O ATOM 734 CB ILE A 52 -2.629 -1.969 -9.006 1.00 0.00 C ATOM 735 CG1 ILE A 52 -1.260 -2.442 -8.512 1.00 0.00 C ATOM 736 CG2 ILE A 52 -3.734 -2.492 -8.100 1.00 0.00 C ATOM 737 CD1 ILE A 52 -1.011 -2.149 -7.049 1.00 0.00 C ATOM 0 H ILE A 52 -1.403 -1.078 -11.119 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.883 -3.517 -10.486 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.648 -0.880 -8.978 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.174 -3.516 -8.679 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.483 -1.963 -9.107 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.554 -2.159 -7.078 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.696 -2.111 -8.442 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.744 -3.582 -8.130 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.022 -2.512 -6.768 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.065 -1.074 -6.879 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.766 -2.650 -6.444 1.00 0.00 H new ATOM 749 N ASP A 53 -4.903 -2.682 -11.742 1.00 0.00 N ATOM 750 CA ASP A 53 -6.202 -2.284 -12.271 1.00 0.00 C ATOM 751 C ASP A 53 -7.183 -1.991 -11.140 1.00 0.00 C ATOM 752 O ASP A 53 -7.976 -1.053 -11.221 1.00 0.00 O ATOM 753 CB ASP A 53 -6.764 -3.379 -13.180 1.00 0.00 C ATOM 754 CG ASP A 53 -7.569 -2.816 -14.335 1.00 0.00 C ATOM 755 OD1 ASP A 53 -8.641 -2.228 -14.080 1.00 0.00 O ATOM 756 OD2 ASP A 53 -7.126 -2.963 -15.493 1.00 0.00 O ATOM 0 H ASP A 53 -4.592 -3.607 -12.040 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.066 -1.373 -12.854 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.943 -3.979 -13.572 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.395 -4.047 -12.593 1.00 0.00 H new ATOM 761 N ILE A 54 -7.123 -2.801 -10.088 1.00 0.00 N ATOM 762 CA ILE A 54 -8.006 -2.628 -8.941 1.00 0.00 C ATOM 763 C ILE A 54 -7.298 -2.995 -7.642 1.00 0.00 C ATOM 764 O ILE A 54 -7.090 -4.173 -7.347 1.00 0.00 O ATOM 765 CB ILE A 54 -9.280 -3.484 -9.078 1.00 0.00 C ATOM 766 CG1 ILE A 54 -9.937 -3.245 -10.439 1.00 0.00 C ATOM 767 CG2 ILE A 54 -10.252 -3.169 -7.951 1.00 0.00 C ATOM 768 CD1 ILE A 54 -11.201 -4.050 -10.649 1.00 0.00 C ATOM 0 H ILE A 54 -6.473 -3.583 -10.006 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.286 -1.575 -8.914 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.003 -4.536 -9.010 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.170 -2.185 -10.540 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.224 -3.491 -11.226 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.147 -3.781 -8.061 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.780 -3.385 -6.992 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.526 -2.115 -7.991 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.613 -3.831 -11.634 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.971 -5.113 -10.580 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.931 -3.787 -9.884 1.00 0.00 H new ATOM 780 N TYR A 55 -6.931 -1.980 -6.868 1.00 0.00 N ATOM 781 CA TYR A 55 -6.245 -2.196 -5.599 1.00 0.00 C ATOM 782 C TYR A 55 -7.223 -2.653 -4.521 1.00 0.00 C ATOM 783 O TYR A 55 -8.362 -2.186 -4.462 1.00 0.00 O ATOM 784 CB TYR A 55 -5.539 -0.914 -5.153 1.00 0.00 C ATOM 785 CG TYR A 55 -5.193 -0.895 -3.681 1.00 0.00 C ATOM 786 CD1 TYR A 55 -4.160 -1.677 -3.180 1.00 0.00 C ATOM 787 CD2 TYR A 55 -5.898 -0.092 -2.792 1.00 0.00 C ATOM 788 CE1 TYR A 55 -3.841 -1.663 -1.836 1.00 0.00 C ATOM 789 CE2 TYR A 55 -5.584 -0.071 -1.447 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.555 -0.858 -0.974 1.00 0.00 C ATOM 791 OH TYR A 55 -4.240 -0.840 0.366 1.00 0.00 O ATOM 0 H TYR A 55 -7.097 -1.000 -7.097 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.502 -2.980 -5.745 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.625 -0.791 -5.734 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.178 -0.060 -5.379 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.597 -2.307 -3.853 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.704 0.526 -3.159 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.037 -2.279 -1.462 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.141 0.559 -0.769 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.678 -0.075 0.795 1.00 0.00 H new ATOM 801 N HIS A 56 -6.771 -3.568 -3.670 1.00 0.00 N ATOM 802 CA HIS A 56 -7.605 -4.088 -2.592 1.00 0.00 C ATOM 803 C HIS A 56 -6.958 -3.834 -1.234 1.00 0.00 C ATOM 804 O HIS A 56 -5.960 -4.465 -0.883 1.00 0.00 O ATOM 805 CB HIS A 56 -7.847 -5.585 -2.784 1.00 0.00 C ATOM 806 CG HIS A 56 -8.928 -5.896 -3.773 1.00 0.00 C ATOM 807 ND1 HIS A 56 -9.327 -7.181 -4.072 1.00 0.00 N ATOM 808 CD2 HIS A 56 -9.695 -5.079 -4.532 1.00 0.00 C ATOM 809 CE1 HIS A 56 -10.292 -7.142 -4.974 1.00 0.00 C ATOM 810 NE2 HIS A 56 -10.534 -5.877 -5.269 1.00 0.00 N ATOM 0 H HIS A 56 -5.832 -3.965 -3.706 1.00 0.00 H new ATOM 0 HA HIS A 56 -8.562 -3.567 -2.621 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.920 -6.055 -3.112 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -8.107 -6.029 -1.823 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -8.938 -8.030 -3.661 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.654 -4.000 -4.554 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.797 -7.998 -5.398 1.00 0.00 H new ATOM 819 N CYS A 57 -7.532 -2.908 -0.474 1.00 0.00 N ATOM 820 CA CYS A 57 -7.012 -2.569 0.845 1.00 0.00 C ATOM 821 C CYS A 57 -6.827 -3.823 1.694 1.00 0.00 C ATOM 822 O CYS A 57 -7.461 -4.854 1.471 1.00 0.00 O ATOM 823 CB CYS A 57 -7.955 -1.595 1.553 1.00 0.00 C ATOM 824 SG CYS A 57 -9.448 -2.375 2.245 1.00 0.00 S ATOM 0 H CYS A 57 -8.359 -2.378 -0.749 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.040 -2.093 0.714 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.411 -1.099 2.357 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.256 -0.821 0.848 1.00 0.00 H new ATOM 0 HG CYS A 57 -10.073 -3.023 1.307 1.00 0.00 H new ATOM 829 N PRO A 58 -5.936 -3.735 2.694 1.00 0.00 N ATOM 830 CA PRO A 58 -5.647 -4.852 3.598 1.00 0.00 C ATOM 831 C PRO A 58 -6.812 -5.158 4.532 1.00 0.00 C ATOM 832 O PRO A 58 -6.688 -5.971 5.449 1.00 0.00 O ATOM 833 CB PRO A 58 -4.437 -4.358 4.395 1.00 0.00 C ATOM 834 CG PRO A 58 -4.535 -2.872 4.351 1.00 0.00 C ATOM 835 CD PRO A 58 -5.144 -2.537 3.018 1.00 0.00 C ATOM 0 HA PRO A 58 -5.467 -5.780 3.056 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -4.462 -4.726 5.421 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.503 -4.706 3.954 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -5.152 -2.497 5.167 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -3.552 -2.413 4.458 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.769 -1.645 3.074 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.380 -2.344 2.264 1.00 0.00 H new ATOM 843 N ASP A 59 -7.943 -4.503 4.294 1.00 0.00 N ATOM 844 CA ASP A 59 -9.131 -4.707 5.114 1.00 0.00 C ATOM 845 C ASP A 59 -10.201 -5.471 4.341 1.00 0.00 C ATOM 846 O ASP A 59 -11.055 -6.133 4.930 1.00 0.00 O ATOM 847 CB ASP A 59 -9.688 -3.362 5.586 1.00 0.00 C ATOM 848 CG ASP A 59 -10.339 -3.453 6.952 1.00 0.00 C ATOM 849 OD1 ASP A 59 -9.950 -4.343 7.737 1.00 0.00 O ATOM 850 OD2 ASP A 59 -11.239 -2.635 7.237 1.00 0.00 O ATOM 0 H ASP A 59 -8.062 -3.826 3.540 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.845 -5.299 5.983 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.882 -2.629 5.619 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.418 -3.000 4.862 1.00 0.00 H new ATOM 855 N CYS A 60 -10.149 -5.373 3.016 1.00 0.00 N ATOM 856 CA CYS A 60 -11.114 -6.054 2.161 1.00 0.00 C ATOM 857 C CYS A 60 -10.541 -7.365 1.631 1.00 0.00 C ATOM 858 O CYS A 60 -11.276 -8.323 1.394 1.00 0.00 O ATOM 859 CB CYS A 60 -11.516 -5.151 0.992 1.00 0.00 C ATOM 860 SG CYS A 60 -12.309 -3.591 1.496 1.00 0.00 S ATOM 0 H CYS A 60 -9.449 -4.829 2.512 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.997 -6.279 2.759 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -10.628 -4.921 0.403 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.198 -5.699 0.341 1.00 0.00 H new ATOM 0 HG CYS A 60 -11.428 -2.819 2.061 1.00 0.00 H new ATOM 865 N GLU A 61 -9.225 -7.399 1.449 1.00 0.00 N ATOM 866 CA GLU A 61 -8.554 -8.593 0.947 1.00 0.00 C ATOM 867 C GLU A 61 -8.887 -9.807 1.810 1.00 0.00 C ATOM 868 O GLU A 61 -8.859 -10.943 1.338 1.00 0.00 O ATOM 869 CB GLU A 61 -7.040 -8.378 0.913 1.00 0.00 C ATOM 870 CG GLU A 61 -6.245 -9.668 0.800 1.00 0.00 C ATOM 871 CD GLU A 61 -4.766 -9.467 1.072 1.00 0.00 C ATOM 872 OE1 GLU A 61 -4.323 -8.300 1.108 1.00 0.00 O ATOM 873 OE2 GLU A 61 -4.053 -10.476 1.249 1.00 0.00 O ATOM 0 H GLU A 61 -8.602 -6.614 1.641 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.910 -8.780 -0.066 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.792 -7.733 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.736 -7.852 1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.644 -10.399 1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.374 -10.084 -0.199 1.00 0.00 H new ATOM 880 N ALA A 62 -9.202 -9.557 3.076 1.00 0.00 N ATOM 881 CA ALA A 62 -9.542 -10.628 4.005 1.00 0.00 C ATOM 882 C ALA A 62 -10.872 -11.275 3.634 1.00 0.00 C ATOM 883 O ALA A 62 -11.280 -12.269 4.236 1.00 0.00 O ATOM 884 CB ALA A 62 -9.590 -10.096 5.429 1.00 0.00 C ATOM 0 H ALA A 62 -9.229 -8.622 3.482 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.767 -11.391 3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.845 -10.906 6.112 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.616 -9.688 5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.344 -9.312 5.499 1.00 0.00 H new ATOM 890 N VAL A 63 -11.545 -10.705 2.640 1.00 0.00 N ATOM 891 CA VAL A 63 -12.830 -11.226 2.189 1.00 0.00 C ATOM 892 C VAL A 63 -12.859 -11.378 0.672 1.00 0.00 C ATOM 893 O VAL A 63 -13.207 -12.437 0.150 1.00 0.00 O ATOM 894 CB VAL A 63 -13.991 -10.313 2.625 1.00 0.00 C ATOM 895 CG1 VAL A 63 -15.325 -11.020 2.441 1.00 0.00 C ATOM 896 CG2 VAL A 63 -13.807 -9.870 4.069 1.00 0.00 C ATOM 0 H VAL A 63 -11.222 -9.882 2.131 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.955 -12.205 2.652 1.00 0.00 H new ATOM 0 HB VAL A 63 -13.988 -9.425 1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -16.133 -10.359 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -15.456 -11.281 1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -15.343 -11.927 3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -14.636 -9.226 4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -13.782 -10.745 4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -12.870 -9.321 4.165 1.00 0.00 H new ATOM 906 N PHE A 64 -12.491 -10.311 -0.031 1.00 0.00 N ATOM 907 CA PHE A 64 -12.476 -10.325 -1.489 1.00 0.00 C ATOM 908 C PHE A 64 -11.276 -11.110 -2.013 1.00 0.00 C ATOM 909 O PHE A 64 -11.413 -11.964 -2.887 1.00 0.00 O ATOM 910 CB PHE A 64 -12.442 -8.896 -2.033 1.00 0.00 C ATOM 911 CG PHE A 64 -13.769 -8.195 -1.962 1.00 0.00 C ATOM 912 CD1 PHE A 64 -14.195 -7.609 -0.781 1.00 0.00 C ATOM 913 CD2 PHE A 64 -14.589 -8.123 -3.076 1.00 0.00 C ATOM 914 CE1 PHE A 64 -15.415 -6.964 -0.713 1.00 0.00 C ATOM 915 CE2 PHE A 64 -15.810 -7.479 -3.013 1.00 0.00 C ATOM 916 CZ PHE A 64 -16.224 -6.899 -1.830 1.00 0.00 C ATOM 0 H PHE A 64 -12.200 -9.427 0.386 1.00 0.00 H new ATOM 0 HA PHE A 64 -13.387 -10.816 -1.833 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -11.706 -8.320 -1.473 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -12.107 -8.919 -3.070 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -13.567 -7.657 0.096 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -14.271 -8.575 -4.004 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -15.736 -6.511 0.213 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -16.440 -7.429 -3.889 1.00 0.00 H new ATOM 0 HZ PHE A 64 -17.178 -6.396 -1.779 1.00 0.00 H new ATOM 926 N GLY A 65 -10.099 -10.811 -1.471 1.00 0.00 N ATOM 927 CA GLY A 65 -8.892 -11.496 -1.896 1.00 0.00 C ATOM 928 C GLY A 65 -7.785 -10.535 -2.279 1.00 0.00 C ATOM 929 O GLY A 65 -7.719 -9.405 -1.793 1.00 0.00 O ATOM 0 H GLY A 65 -9.960 -10.107 -0.746 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.544 -12.145 -1.092 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.122 -12.138 -2.746 1.00 0.00 H new ATOM 933 N PRO A 66 -6.887 -10.984 -3.168 1.00 0.00 N ATOM 934 CA PRO A 66 -5.760 -10.171 -3.635 1.00 0.00 C ATOM 935 C PRO A 66 -6.207 -9.015 -4.523 1.00 0.00 C ATOM 936 O PRO A 66 -7.384 -8.902 -4.865 1.00 0.00 O ATOM 937 CB PRO A 66 -4.914 -11.164 -4.436 1.00 0.00 C ATOM 938 CG PRO A 66 -5.878 -12.209 -4.882 1.00 0.00 C ATOM 939 CD PRO A 66 -6.904 -12.320 -3.788 1.00 0.00 C ATOM 0 HA PRO A 66 -5.225 -9.704 -2.808 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.434 -10.680 -5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.121 -11.593 -3.824 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.344 -11.932 -5.828 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.374 -13.162 -5.042 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.889 -12.567 -4.184 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.645 -13.099 -3.071 1.00 0.00 H new ATOM 947 N SER A 67 -5.260 -8.158 -4.892 1.00 0.00 N ATOM 948 CA SER A 67 -5.558 -7.008 -5.737 1.00 0.00 C ATOM 949 C SER A 67 -5.455 -7.378 -7.214 1.00 0.00 C ATOM 950 O SER A 67 -4.622 -8.196 -7.603 1.00 0.00 O ATOM 951 CB SER A 67 -4.602 -5.855 -5.422 1.00 0.00 C ATOM 952 OG SER A 67 -4.257 -5.841 -4.047 1.00 0.00 O ATOM 0 H SER A 67 -4.281 -8.239 -4.619 1.00 0.00 H new ATOM 0 HA SER A 67 -6.580 -6.691 -5.529 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.700 -5.951 -6.026 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.068 -4.908 -5.693 1.00 0.00 H new ATOM 0 HG SER A 67 -3.644 -5.097 -3.871 1.00 0.00 H new ATOM 958 N ILE A 68 -6.309 -6.770 -8.030 1.00 0.00 N ATOM 959 CA ILE A 68 -6.314 -7.034 -9.464 1.00 0.00 C ATOM 960 C ILE A 68 -5.182 -6.290 -10.164 1.00 0.00 C ATOM 961 O ILE A 68 -4.626 -5.335 -9.624 1.00 0.00 O ATOM 962 CB ILE A 68 -7.654 -6.628 -10.106 1.00 0.00 C ATOM 963 CG1 ILE A 68 -8.824 -7.104 -9.242 1.00 0.00 C ATOM 964 CG2 ILE A 68 -7.762 -7.198 -11.512 1.00 0.00 C ATOM 965 CD1 ILE A 68 -8.829 -8.598 -9.002 1.00 0.00 C ATOM 0 H ILE A 68 -7.006 -6.092 -7.723 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.171 -8.107 -9.588 1.00 0.00 H new ATOM 0 HB ILE A 68 -7.693 -5.541 -10.171 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.789 -6.590 -8.281 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.760 -6.818 -9.722 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.714 -6.902 -11.952 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.945 -6.815 -12.124 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.704 -8.286 -11.469 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -9.685 -8.864 -8.383 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.896 -9.120 -9.957 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.909 -8.888 -8.494 1.00 0.00 H new ATOM 977 N MET A 69 -4.847 -6.735 -11.371 1.00 0.00 N ATOM 978 CA MET A 69 -3.783 -6.109 -12.147 1.00 0.00 C ATOM 979 C MET A 69 -4.229 -5.869 -13.586 1.00 0.00 C ATOM 980 O MET A 69 -4.865 -6.725 -14.201 1.00 0.00 O ATOM 981 CB MET A 69 -2.528 -6.984 -12.129 1.00 0.00 C ATOM 982 CG MET A 69 -1.904 -7.124 -10.750 1.00 0.00 C ATOM 983 SD MET A 69 -0.114 -7.335 -10.816 1.00 0.00 S ATOM 984 CE MET A 69 0.430 -5.630 -10.762 1.00 0.00 C ATOM 0 H MET A 69 -5.297 -7.526 -11.832 1.00 0.00 H new ATOM 0 HA MET A 69 -3.553 -5.146 -11.691 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.780 -7.975 -12.507 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.791 -6.561 -12.811 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.140 -6.240 -10.157 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.348 -7.978 -10.239 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.171 -5.460 -11.543 1.00 0.00 H new ATOM 0 HE2 MET A 69 -0.423 -4.971 -10.921 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.874 -5.420 -9.789 1.00 0.00 H new ATOM 994 N LYS A 70 -3.891 -4.699 -14.118 1.00 0.00 N ATOM 995 CA LYS A 70 -4.255 -4.345 -15.485 1.00 0.00 C ATOM 996 C LYS A 70 -3.715 -5.372 -16.475 1.00 0.00 C ATOM 997 O LYS A 70 -3.012 -6.306 -16.092 1.00 0.00 O ATOM 998 CB LYS A 70 -3.721 -2.954 -15.833 1.00 0.00 C ATOM 999 CG LYS A 70 -4.248 -1.855 -14.927 1.00 0.00 C ATOM 1000 CD LYS A 70 -4.138 -0.490 -15.585 1.00 0.00 C ATOM 1001 CE LYS A 70 -3.985 0.616 -14.552 1.00 0.00 C ATOM 1002 NZ LYS A 70 -3.957 1.964 -15.182 1.00 0.00 N ATOM 0 H LYS A 70 -3.365 -3.979 -13.622 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.343 -4.337 -15.555 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.632 -2.968 -15.778 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.985 -2.720 -16.864 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.290 -2.057 -14.677 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.690 -1.855 -13.991 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.283 -0.479 -16.261 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.025 -0.304 -16.190 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.809 0.565 -13.841 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.066 0.460 -13.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.852 2.690 -14.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.155 2.022 -15.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.844 2.123 -15.700 1.00 0.00 H new