USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 583 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 28 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.5) USER MOD Single : A 31 LYS NZ :NH3+ -177:sc= -0.135 (180deg=-0.147) USER MOD Single : A 36 GLN : amide:sc= -1.19 K(o=-1.2,f=-3!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -139:sc= 1.19 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 47 GLN : amide:sc= -0.953 K(o=-0.95,f=-5.3!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0611 X(o=-0.061,f=-0.1) USER MOD Single : A 69 TYR OH : rot 70:sc= 0.526 USER MOD Single : A 72 CYS SG : rot 25:sc= -2.45 USER MOD Single : A 76 GLN : amide:sc= -2.92 K(o=-2.9,f=-5.1!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0661 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -1.99 X(o=-2,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 103 N VAL A 11 -1.564 -6.929 -7.113 1.00 0.00 N ATOM 104 CA VAL A 11 -0.834 -8.056 -6.543 1.00 0.00 C ATOM 105 C VAL A 11 -0.039 -7.630 -5.314 1.00 0.00 C ATOM 106 O VAL A 11 0.377 -6.477 -5.200 1.00 0.00 O ATOM 107 CB VAL A 11 0.127 -8.681 -7.570 1.00 0.00 C ATOM 108 CG1 VAL A 11 -0.649 -9.424 -8.646 1.00 0.00 C ATOM 109 CG2 VAL A 11 1.017 -7.613 -8.186 1.00 0.00 C ATOM 0 HA VAL A 11 -1.577 -8.799 -6.253 1.00 0.00 H new ATOM 0 HB VAL A 11 0.764 -9.399 -7.054 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.048 -9.859 -9.363 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.239 -10.217 -8.187 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.313 -8.730 -9.161 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.690 -8.073 -8.910 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.398 -6.869 -8.688 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.602 -7.130 -7.403 1.00 0.00 H new ATOM 119 N GLY A 12 0.170 -8.568 -4.396 1.00 0.00 N ATOM 120 CA GLY A 12 0.915 -8.270 -3.187 1.00 0.00 C ATOM 121 C GLY A 12 2.360 -8.725 -3.270 1.00 0.00 C ATOM 122 O GLY A 12 2.771 -9.331 -4.259 1.00 0.00 O ATOM 0 H GLY A 12 -0.163 -9.529 -4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.885 -7.196 -3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.433 -8.754 -2.338 1.00 0.00 H new ATOM 126 N ASP A 13 3.131 -8.431 -2.229 1.00 0.00 N ATOM 127 CA ASP A 13 4.538 -8.813 -2.187 1.00 0.00 C ATOM 128 C ASP A 13 4.802 -9.793 -1.049 1.00 0.00 C ATOM 129 O ASP A 13 3.921 -10.068 -0.235 1.00 0.00 O ATOM 130 CB ASP A 13 5.419 -7.573 -2.024 1.00 0.00 C ATOM 131 CG ASP A 13 6.694 -7.659 -2.841 1.00 0.00 C ATOM 132 OD1 ASP A 13 6.655 -7.307 -4.039 1.00 0.00 O ATOM 133 OD2 ASP A 13 7.730 -8.077 -2.284 1.00 0.00 O ATOM 0 H ASP A 13 2.806 -7.929 -1.403 1.00 0.00 H new ATOM 0 HA ASP A 13 4.784 -9.304 -3.128 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.857 -6.689 -2.325 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.673 -7.447 -0.972 1.00 0.00 H new ATOM 138 N ASP A 14 6.023 -10.318 -0.999 1.00 0.00 N ATOM 139 CA ASP A 14 6.404 -11.268 0.040 1.00 0.00 C ATOM 140 C ASP A 14 7.194 -10.576 1.145 1.00 0.00 C ATOM 141 O ASP A 14 8.090 -11.169 1.746 1.00 0.00 O ATOM 142 CB ASP A 14 7.232 -12.405 -0.560 1.00 0.00 C ATOM 143 CG ASP A 14 6.372 -13.565 -1.024 1.00 0.00 C ATOM 144 OD1 ASP A 14 5.350 -13.848 -0.364 1.00 0.00 O ATOM 145 OD2 ASP A 14 6.720 -14.189 -2.048 1.00 0.00 O ATOM 0 H ASP A 14 6.764 -10.102 -1.665 1.00 0.00 H new ATOM 0 HA ASP A 14 5.493 -11.681 0.473 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.809 -12.025 -1.403 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.947 -12.761 0.182 1.00 0.00 H new ATOM 150 N PHE A 15 6.856 -9.318 1.409 1.00 0.00 N ATOM 151 CA PHE A 15 7.535 -8.545 2.443 1.00 0.00 C ATOM 152 C PHE A 15 6.723 -7.310 2.821 1.00 0.00 C ATOM 153 O PHE A 15 5.990 -6.761 1.999 1.00 0.00 O ATOM 154 CB PHE A 15 8.927 -8.129 1.966 1.00 0.00 C ATOM 155 CG PHE A 15 9.974 -8.190 3.041 1.00 0.00 C ATOM 156 CD1 PHE A 15 10.448 -9.411 3.495 1.00 0.00 C ATOM 157 CD2 PHE A 15 10.485 -7.029 3.596 1.00 0.00 C ATOM 158 CE1 PHE A 15 11.412 -9.471 4.484 1.00 0.00 C ATOM 159 CE2 PHE A 15 11.448 -7.082 4.585 1.00 0.00 C ATOM 160 CZ PHE A 15 11.913 -8.305 5.030 1.00 0.00 C ATOM 0 H PHE A 15 6.116 -8.812 0.922 1.00 0.00 H new ATOM 0 HA PHE A 15 7.635 -9.175 3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.227 -8.775 1.141 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.879 -7.113 1.574 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.060 -10.325 3.071 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.126 -6.070 3.252 1.00 0.00 H new ATOM 0 HE1 PHE A 15 11.773 -10.428 4.829 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.837 -6.169 5.010 1.00 0.00 H new ATOM 0 HZ PHE A 15 12.666 -8.349 5.803 1.00 0.00 H new ATOM 170 N LEU A 16 6.860 -6.877 4.070 1.00 0.00 N ATOM 171 CA LEU A 16 6.141 -5.707 4.557 1.00 0.00 C ATOM 172 C LEU A 16 7.081 -4.516 4.713 1.00 0.00 C ATOM 173 O LEU A 16 6.674 -3.366 4.551 1.00 0.00 O ATOM 174 CB LEU A 16 5.465 -6.017 5.895 1.00 0.00 C ATOM 175 CG LEU A 16 4.054 -6.597 5.789 1.00 0.00 C ATOM 176 CD1 LEU A 16 3.759 -7.505 6.973 1.00 0.00 C ATOM 177 CD2 LEU A 16 3.025 -5.479 5.703 1.00 0.00 C ATOM 0 H LEU A 16 7.463 -7.320 4.763 1.00 0.00 H new ATOM 0 HA LEU A 16 5.377 -5.450 3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.090 -6.720 6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.421 -5.101 6.483 1.00 0.00 H new ATOM 0 HG LEU A 16 3.993 -7.192 4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.751 -7.908 6.880 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.477 -8.325 6.991 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.837 -6.934 7.898 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.026 -5.909 5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.087 -4.858 6.597 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.224 -4.868 4.822 1.00 0.00 H new ATOM 189 N GLY A 17 8.340 -4.800 5.027 1.00 0.00 N ATOM 190 CA GLY A 17 9.318 -3.742 5.198 1.00 0.00 C ATOM 191 C GLY A 17 9.485 -3.335 6.650 1.00 0.00 C ATOM 192 O GLY A 17 9.700 -4.182 7.518 1.00 0.00 O ATOM 0 H GLY A 17 8.701 -5.744 5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.279 -4.073 4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.015 -2.874 4.613 1.00 0.00 H new ATOM 196 N ASP A 18 9.387 -2.036 6.914 1.00 0.00 N ATOM 197 CA ASP A 18 9.528 -1.520 8.269 1.00 0.00 C ATOM 198 C ASP A 18 8.617 -0.316 8.491 1.00 0.00 C ATOM 199 O ASP A 18 8.976 0.625 9.200 1.00 0.00 O ATOM 200 CB ASP A 18 10.983 -1.129 8.538 1.00 0.00 C ATOM 201 CG ASP A 18 11.563 -0.266 7.435 1.00 0.00 C ATOM 202 OD1 ASP A 18 10.933 0.753 7.083 1.00 0.00 O ATOM 203 OD2 ASP A 18 12.649 -0.609 6.924 1.00 0.00 O ATOM 0 H ASP A 18 9.211 -1.322 6.207 1.00 0.00 H new ATOM 0 HA ASP A 18 9.235 -2.307 8.964 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.043 -0.592 9.485 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.585 -2.031 8.644 1.00 0.00 H new ATOM 208 N PHE A 19 7.437 -0.353 7.883 1.00 0.00 N ATOM 209 CA PHE A 19 6.473 0.734 8.014 1.00 0.00 C ATOM 210 C PHE A 19 5.482 0.447 9.137 1.00 0.00 C ATOM 211 O PHE A 19 5.360 -0.688 9.597 1.00 0.00 O ATOM 212 CB PHE A 19 5.724 0.943 6.697 1.00 0.00 C ATOM 213 CG PHE A 19 6.628 1.212 5.527 1.00 0.00 C ATOM 214 CD1 PHE A 19 7.207 2.459 5.354 1.00 0.00 C ATOM 215 CD2 PHE A 19 6.899 0.217 4.602 1.00 0.00 C ATOM 216 CE1 PHE A 19 8.039 2.709 4.279 1.00 0.00 C ATOM 217 CE2 PHE A 19 7.730 0.460 3.525 1.00 0.00 C ATOM 218 CZ PHE A 19 8.301 1.708 3.363 1.00 0.00 C ATOM 0 H PHE A 19 7.124 -1.125 7.294 1.00 0.00 H new ATOM 0 HA PHE A 19 7.020 1.644 8.259 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.124 0.058 6.486 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.032 1.778 6.811 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.006 3.245 6.067 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.456 -0.760 4.724 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.484 3.685 4.155 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.933 -0.324 2.811 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.951 1.901 2.522 1.00 0.00 H new ATOM 228 N VAL A 20 4.773 1.483 9.573 1.00 0.00 N ATOM 229 CA VAL A 20 3.791 1.342 10.641 1.00 0.00 C ATOM 230 C VAL A 20 2.468 1.998 10.262 1.00 0.00 C ATOM 231 O VAL A 20 2.339 2.584 9.186 1.00 0.00 O ATOM 232 CB VAL A 20 4.298 1.962 11.957 1.00 0.00 C ATOM 233 CG1 VAL A 20 5.457 1.151 12.518 1.00 0.00 C ATOM 234 CG2 VAL A 20 4.707 3.412 11.741 1.00 0.00 C ATOM 0 H VAL A 20 4.860 2.429 9.203 1.00 0.00 H new ATOM 0 HA VAL A 20 3.636 0.273 10.787 1.00 0.00 H new ATOM 0 HB VAL A 20 3.486 1.942 12.684 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.802 1.604 13.447 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.127 0.131 12.712 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.274 1.137 11.796 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.062 3.834 12.681 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.503 3.459 10.998 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.848 3.984 11.389 1.00 0.00 H new ATOM 244 N VAL A 21 1.486 1.896 11.152 1.00 0.00 N ATOM 245 CA VAL A 21 0.172 2.479 10.911 1.00 0.00 C ATOM 246 C VAL A 21 0.113 3.921 11.400 1.00 0.00 C ATOM 247 O VAL A 21 0.253 4.189 12.594 1.00 0.00 O ATOM 248 CB VAL A 21 -0.939 1.668 11.604 1.00 0.00 C ATOM 249 CG1 VAL A 21 -2.310 2.169 11.181 1.00 0.00 C ATOM 250 CG2 VAL A 21 -0.787 0.185 11.298 1.00 0.00 C ATOM 0 H VAL A 21 1.576 1.415 12.047 1.00 0.00 H new ATOM 0 HA VAL A 21 0.009 2.456 9.833 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.845 1.805 12.681 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.082 1.584 11.681 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.415 3.218 11.457 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.418 2.065 10.101 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.580 -0.372 11.796 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.853 0.027 10.222 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.181 -0.163 11.657 1.00 0.00 H new ATOM 260 N GLY A 22 -0.096 4.848 10.472 1.00 0.00 N ATOM 261 CA GLY A 22 -0.172 6.253 10.829 1.00 0.00 C ATOM 262 C GLY A 22 1.109 7.001 10.511 1.00 0.00 C ATOM 263 O GLY A 22 1.526 7.880 11.267 1.00 0.00 O ATOM 0 H GLY A 22 -0.214 4.652 9.478 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.002 6.716 10.295 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.387 6.343 11.894 1.00 0.00 H new ATOM 267 N GLU A 23 1.733 6.653 9.391 1.00 0.00 N ATOM 268 CA GLU A 23 2.974 7.298 8.976 1.00 0.00 C ATOM 269 C GLU A 23 2.913 7.697 7.505 1.00 0.00 C ATOM 270 O GLU A 23 2.060 7.220 6.757 1.00 0.00 O ATOM 271 CB GLU A 23 4.163 6.365 9.216 1.00 0.00 C ATOM 272 CG GLU A 23 3.975 4.976 8.627 1.00 0.00 C ATOM 273 CD GLU A 23 4.881 4.716 7.440 1.00 0.00 C ATOM 274 OE1 GLU A 23 5.991 5.289 7.403 1.00 0.00 O ATOM 275 OE2 GLU A 23 4.480 3.941 6.546 1.00 0.00 O ATOM 0 H GLU A 23 1.400 5.929 8.755 1.00 0.00 H new ATOM 0 HA GLU A 23 3.104 8.200 9.573 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.059 6.814 8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.333 6.276 10.289 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.169 4.230 9.397 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.936 4.854 8.320 1.00 0.00 H new ATOM 282 N ARG A 24 3.825 8.574 7.098 1.00 0.00 N ATOM 283 CA ARG A 24 3.876 9.037 5.716 1.00 0.00 C ATOM 284 C ARG A 24 4.858 8.204 4.899 1.00 0.00 C ATOM 285 O ARG A 24 5.932 7.843 5.380 1.00 0.00 O ATOM 286 CB ARG A 24 4.275 10.513 5.665 1.00 0.00 C ATOM 287 CG ARG A 24 3.174 11.457 6.118 1.00 0.00 C ATOM 288 CD ARG A 24 3.172 11.630 7.628 1.00 0.00 C ATOM 289 NE ARG A 24 2.920 13.014 8.019 1.00 0.00 N ATOM 290 CZ ARG A 24 1.772 13.651 7.794 1.00 0.00 C ATOM 291 NH1 ARG A 24 0.772 13.032 7.179 1.00 0.00 N ATOM 292 NH2 ARG A 24 1.625 14.910 8.183 1.00 0.00 N ATOM 0 H ARG A 24 4.538 8.978 7.705 1.00 0.00 H new ATOM 0 HA ARG A 24 2.882 8.921 5.283 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.153 10.665 6.292 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.564 10.768 4.645 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.307 12.428 5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.207 11.072 5.794 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.410 10.985 8.066 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.132 11.308 8.031 1.00 0.00 H new ATOM 0 HE ARG A 24 3.667 13.523 8.492 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.881 12.064 6.876 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.105 13.524 7.009 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.391 15.391 8.655 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.746 15.398 8.011 1.00 0.00 H new ATOM 306 N VAL A 25 4.482 7.903 3.660 1.00 0.00 N ATOM 307 CA VAL A 25 5.330 7.114 2.775 1.00 0.00 C ATOM 308 C VAL A 25 5.029 7.416 1.312 1.00 0.00 C ATOM 309 O VAL A 25 3.867 7.516 0.915 1.00 0.00 O ATOM 310 CB VAL A 25 5.150 5.605 3.023 1.00 0.00 C ATOM 311 CG1 VAL A 25 5.637 5.229 4.413 1.00 0.00 C ATOM 312 CG2 VAL A 25 3.694 5.203 2.832 1.00 0.00 C ATOM 0 H VAL A 25 3.596 8.194 3.247 1.00 0.00 H new ATOM 0 HA VAL A 25 6.361 7.391 2.996 1.00 0.00 H new ATOM 0 HB VAL A 25 5.752 5.062 2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.501 4.159 4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.694 5.478 4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.066 5.780 5.160 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.585 4.133 3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.069 5.754 3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.384 5.433 1.813 1.00 0.00 H new ATOM 322 N TRP A 26 6.081 7.561 0.513 1.00 0.00 N ATOM 323 CA TRP A 26 5.929 7.852 -0.907 1.00 0.00 C ATOM 324 C TRP A 26 5.614 6.583 -1.691 1.00 0.00 C ATOM 325 O TRP A 26 6.449 5.685 -1.800 1.00 0.00 O ATOM 326 CB TRP A 26 7.201 8.502 -1.455 1.00 0.00 C ATOM 327 CG TRP A 26 7.227 9.991 -1.289 1.00 0.00 C ATOM 328 CD1 TRP A 26 7.044 10.928 -2.264 1.00 0.00 C ATOM 329 CD2 TRP A 26 7.448 10.715 -0.073 1.00 0.00 C ATOM 330 NE1 TRP A 26 7.139 12.191 -1.730 1.00 0.00 N ATOM 331 CE2 TRP A 26 7.386 12.086 -0.387 1.00 0.00 C ATOM 332 CE3 TRP A 26 7.692 10.337 1.251 1.00 0.00 C ATOM 333 CZ2 TRP A 26 7.559 13.078 0.576 1.00 0.00 C ATOM 334 CZ3 TRP A 26 7.864 11.322 2.204 1.00 0.00 C ATOM 335 CH2 TRP A 26 7.796 12.679 1.863 1.00 0.00 C ATOM 0 H TRP A 26 7.049 7.482 0.826 1.00 0.00 H new ATOM 0 HA TRP A 26 5.096 8.546 -1.023 1.00 0.00 H new ATOM 0 HB2 TRP A 26 8.066 8.072 -0.950 1.00 0.00 H new ATOM 0 HB3 TRP A 26 7.297 8.260 -2.513 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.852 10.709 -3.304 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.041 13.064 -2.249 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.745 9.293 1.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.508 14.125 0.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.054 11.041 3.229 1.00 0.00 H new ATOM 0 HH2 TRP A 26 7.933 13.425 2.632 1.00 0.00 H new ATOM 346 N VAL A 27 4.403 6.515 -2.236 1.00 0.00 N ATOM 347 CA VAL A 27 3.978 5.356 -3.011 1.00 0.00 C ATOM 348 C VAL A 27 4.671 5.317 -4.368 1.00 0.00 C ATOM 349 O VAL A 27 4.397 6.141 -5.240 1.00 0.00 O ATOM 350 CB VAL A 27 2.452 5.354 -3.226 1.00 0.00 C ATOM 351 CG1 VAL A 27 2.004 4.046 -3.860 1.00 0.00 C ATOM 352 CG2 VAL A 27 1.727 5.593 -1.910 1.00 0.00 C ATOM 0 H VAL A 27 3.700 7.249 -2.155 1.00 0.00 H new ATOM 0 HA VAL A 27 4.259 4.472 -2.438 1.00 0.00 H new ATOM 0 HB VAL A 27 2.198 6.167 -3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.924 4.063 -4.004 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.497 3.921 -4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.270 3.215 -3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.651 5.588 -2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.985 4.804 -1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.025 6.558 -1.501 1.00 0.00 H new ATOM 362 N ASN A 28 5.571 4.354 -4.539 1.00 0.00 N ATOM 363 CA ASN A 28 6.304 4.206 -5.792 1.00 0.00 C ATOM 364 C ASN A 28 7.103 5.467 -6.106 1.00 0.00 C ATOM 365 O ASN A 28 7.320 5.803 -7.270 1.00 0.00 O ATOM 366 CB ASN A 28 5.338 3.901 -6.939 1.00 0.00 C ATOM 367 CG ASN A 28 5.162 2.412 -7.164 1.00 0.00 C ATOM 368 OD1 ASN A 28 5.588 1.871 -8.184 1.00 0.00 O ATOM 369 ND2 ASN A 28 4.529 1.740 -6.209 1.00 0.00 N ATOM 0 H ASN A 28 5.810 3.665 -3.826 1.00 0.00 H new ATOM 0 HA ASN A 28 7.000 3.374 -5.682 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.369 4.351 -6.724 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.707 4.363 -7.854 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.380 0.736 -6.305 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.192 2.228 -5.379 1.00 0.00 H new ATOM 376 N GLY A 29 7.540 6.162 -5.060 1.00 0.00 N ATOM 377 CA GLY A 29 8.311 7.376 -5.246 1.00 0.00 C ATOM 378 C GLY A 29 7.554 8.430 -6.030 1.00 0.00 C ATOM 379 O GLY A 29 8.159 9.263 -6.705 1.00 0.00 O ATOM 0 H GLY A 29 7.373 5.905 -4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.587 7.780 -4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.239 7.137 -5.766 1.00 0.00 H new ATOM 383 N VAL A 30 6.228 8.394 -5.941 1.00 0.00 N ATOM 384 CA VAL A 30 5.389 9.353 -6.648 1.00 0.00 C ATOM 385 C VAL A 30 4.873 10.434 -5.705 1.00 0.00 C ATOM 386 O VAL A 30 5.237 11.603 -5.826 1.00 0.00 O ATOM 387 CB VAL A 30 4.190 8.661 -7.323 1.00 0.00 C ATOM 388 CG1 VAL A 30 3.442 9.638 -8.217 1.00 0.00 C ATOM 389 CG2 VAL A 30 4.649 7.447 -8.114 1.00 0.00 C ATOM 0 H VAL A 30 5.712 7.711 -5.386 1.00 0.00 H new ATOM 0 HA VAL A 30 6.013 9.812 -7.415 1.00 0.00 H new ATOM 0 HB VAL A 30 3.506 8.321 -6.545 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.598 9.130 -8.685 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.077 10.472 -7.618 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.114 10.012 -8.989 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.788 6.972 -8.583 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.355 7.760 -8.883 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.134 6.738 -7.443 1.00 0.00 H new ATOM 399 N LYS A 31 4.022 10.035 -4.764 1.00 0.00 N ATOM 400 CA LYS A 31 3.456 10.971 -3.799 1.00 0.00 C ATOM 401 C LYS A 31 3.345 10.329 -2.417 1.00 0.00 C ATOM 402 O LYS A 31 3.119 9.125 -2.301 1.00 0.00 O ATOM 403 CB LYS A 31 2.078 11.444 -4.266 1.00 0.00 C ATOM 404 CG LYS A 31 2.134 12.505 -5.353 1.00 0.00 C ATOM 405 CD LYS A 31 0.955 13.460 -5.259 1.00 0.00 C ATOM 406 CE LYS A 31 0.714 14.184 -6.575 1.00 0.00 C ATOM 407 NZ LYS A 31 -0.640 13.898 -7.126 1.00 0.00 N ATOM 0 H LYS A 31 3.710 9.071 -4.650 1.00 0.00 H new ATOM 0 HA LYS A 31 4.124 11.830 -3.728 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.515 10.587 -4.635 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.530 11.840 -3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.065 13.065 -5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.138 12.025 -6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.059 12.906 -4.978 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.139 14.189 -4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.825 15.258 -6.424 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.472 13.883 -7.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.746 14.369 -8.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.756 12.872 -7.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.364 14.254 -6.470 1.00 0.00 H new ATOM 421 N PRO A 32 3.502 11.129 -1.348 1.00 0.00 N ATOM 422 CA PRO A 32 3.418 10.632 0.028 1.00 0.00 C ATOM 423 C PRO A 32 1.990 10.286 0.433 1.00 0.00 C ATOM 424 O PRO A 32 1.031 10.868 -0.076 1.00 0.00 O ATOM 425 CB PRO A 32 3.939 11.805 0.859 1.00 0.00 C ATOM 426 CG PRO A 32 3.640 13.010 0.037 1.00 0.00 C ATOM 427 CD PRO A 32 3.775 12.579 -1.397 1.00 0.00 C ATOM 0 HA PRO A 32 3.983 9.710 0.164 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.444 11.854 1.829 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.008 11.711 1.051 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.635 13.381 0.240 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.331 13.821 0.267 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.066 13.099 -2.041 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.772 12.787 -1.787 1.00 0.00 H new ATOM 435 N GLY A 33 1.853 9.335 1.352 1.00 0.00 N ATOM 436 CA GLY A 33 0.538 8.928 1.810 1.00 0.00 C ATOM 437 C GLY A 33 0.550 8.433 3.243 1.00 0.00 C ATOM 438 O GLY A 33 1.541 7.863 3.701 1.00 0.00 O ATOM 0 H GLY A 33 2.630 8.839 1.788 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.149 9.770 1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.158 8.140 1.160 1.00 0.00 H new ATOM 442 N VAL A 34 -0.553 8.650 3.951 1.00 0.00 N ATOM 443 CA VAL A 34 -0.665 8.222 5.340 1.00 0.00 C ATOM 444 C VAL A 34 -1.135 6.774 5.432 1.00 0.00 C ATOM 445 O VAL A 34 -2.268 6.456 5.072 1.00 0.00 O ATOM 446 CB VAL A 34 -1.641 9.119 6.128 1.00 0.00 C ATOM 447 CG1 VAL A 34 -1.627 8.756 7.606 1.00 0.00 C ATOM 448 CG2 VAL A 34 -1.299 10.588 5.929 1.00 0.00 C ATOM 0 H VAL A 34 -1.382 9.120 3.586 1.00 0.00 H new ATOM 0 HA VAL A 34 0.329 8.307 5.779 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.648 8.950 5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.322 9.400 8.145 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.927 7.715 7.728 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.622 8.893 8.005 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.999 11.204 6.493 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.285 10.776 6.281 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.368 10.837 4.870 1.00 0.00 H new ATOM 458 N VAL A 35 -0.258 5.901 5.914 1.00 0.00 N ATOM 459 CA VAL A 35 -0.584 4.487 6.053 1.00 0.00 C ATOM 460 C VAL A 35 -1.641 4.269 7.130 1.00 0.00 C ATOM 461 O VAL A 35 -1.511 4.762 8.251 1.00 0.00 O ATOM 462 CB VAL A 35 0.664 3.653 6.400 1.00 0.00 C ATOM 463 CG1 VAL A 35 0.347 2.167 6.344 1.00 0.00 C ATOM 464 CG2 VAL A 35 1.813 3.996 5.464 1.00 0.00 C ATOM 0 H VAL A 35 0.685 6.148 6.215 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.976 4.158 5.090 1.00 0.00 H new ATOM 0 HB VAL A 35 0.969 3.897 7.418 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.241 1.595 6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.442 1.936 7.060 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.014 1.903 5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.686 3.397 5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.521 3.783 4.436 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.057 5.054 5.560 1.00 0.00 H new ATOM 474 N GLN A 36 -2.687 3.526 6.782 1.00 0.00 N ATOM 475 CA GLN A 36 -3.769 3.241 7.718 1.00 0.00 C ATOM 476 C GLN A 36 -3.852 1.747 8.014 1.00 0.00 C ATOM 477 O GLN A 36 -4.008 1.340 9.165 1.00 0.00 O ATOM 478 CB GLN A 36 -5.102 3.738 7.157 1.00 0.00 C ATOM 479 CG GLN A 36 -5.455 5.152 7.588 1.00 0.00 C ATOM 480 CD GLN A 36 -6.191 5.190 8.913 1.00 0.00 C ATOM 481 OE1 GLN A 36 -7.417 5.299 8.953 1.00 0.00 O ATOM 482 NE2 GLN A 36 -5.445 5.100 10.008 1.00 0.00 N ATOM 0 H GLN A 36 -2.808 3.110 5.858 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.558 3.766 8.650 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.066 3.697 6.068 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.895 3.062 7.475 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.542 5.743 7.666 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.072 5.619 6.820 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.432 5.011 9.929 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.885 5.120 10.928 1.00 0.00 H new ATOM 491 N TYR A 37 -3.745 0.935 6.967 1.00 0.00 N ATOM 492 CA TYR A 37 -3.809 -0.514 7.114 1.00 0.00 C ATOM 493 C TYR A 37 -2.489 -1.161 6.708 1.00 0.00 C ATOM 494 O TYR A 37 -1.808 -0.686 5.798 1.00 0.00 O ATOM 495 CB TYR A 37 -4.950 -1.083 6.269 1.00 0.00 C ATOM 496 CG TYR A 37 -5.517 -2.378 6.808 1.00 0.00 C ATOM 497 CD1 TYR A 37 -4.906 -3.594 6.530 1.00 0.00 C ATOM 498 CD2 TYR A 37 -6.661 -2.383 7.595 1.00 0.00 C ATOM 499 CE1 TYR A 37 -5.421 -4.780 7.020 1.00 0.00 C ATOM 500 CE2 TYR A 37 -7.181 -3.564 8.089 1.00 0.00 C ATOM 501 CZ TYR A 37 -6.558 -4.759 7.799 1.00 0.00 C ATOM 502 OH TYR A 37 -7.073 -5.937 8.290 1.00 0.00 O ATOM 0 H TYR A 37 -3.614 1.256 6.008 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.996 -0.740 8.164 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.749 -0.344 6.208 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.591 -1.249 5.253 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.014 -3.613 5.921 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.152 -1.449 7.825 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.935 -5.718 6.794 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -8.072 -3.551 8.700 1.00 0.00 H new ATOM 0 HH TYR A 37 -7.875 -5.747 8.821 1.00 0.00 H new ATOM 512 N LEU A 38 -2.132 -2.245 7.388 1.00 0.00 N ATOM 513 CA LEU A 38 -0.893 -2.957 7.098 1.00 0.00 C ATOM 514 C LEU A 38 -1.057 -4.455 7.329 1.00 0.00 C ATOM 515 O LEU A 38 -1.065 -4.921 8.469 1.00 0.00 O ATOM 516 CB LEU A 38 0.245 -2.416 7.967 1.00 0.00 C ATOM 517 CG LEU A 38 0.914 -1.145 7.440 1.00 0.00 C ATOM 518 CD1 LEU A 38 1.300 -0.227 8.590 1.00 0.00 C ATOM 519 CD2 LEU A 38 2.135 -1.494 6.602 1.00 0.00 C ATOM 0 H LEU A 38 -2.684 -2.650 8.144 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.648 -2.796 6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.144 -2.216 8.965 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.004 -3.192 8.070 1.00 0.00 H new ATOM 0 HG LEU A 38 0.200 -0.618 6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.774 0.671 8.195 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.407 0.050 9.150 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.996 -0.744 9.251 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.598 -0.578 6.235 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.851 -2.043 7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.832 -2.111 5.756 1.00 0.00 H new ATOM 531 N GLY A 39 -1.189 -5.205 6.241 1.00 0.00 N ATOM 532 CA GLY A 39 -1.352 -6.644 6.345 1.00 0.00 C ATOM 533 C GLY A 39 -1.949 -7.253 5.092 1.00 0.00 C ATOM 534 O GLY A 39 -1.830 -6.690 4.004 1.00 0.00 O ATOM 0 H GLY A 39 -1.186 -4.842 5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.383 -7.103 6.542 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.992 -6.873 7.197 1.00 0.00 H new ATOM 538 N GLU A 40 -2.592 -8.406 5.244 1.00 0.00 N ATOM 539 CA GLU A 40 -3.210 -9.091 4.116 1.00 0.00 C ATOM 540 C GLU A 40 -4.486 -8.379 3.679 1.00 0.00 C ATOM 541 O GLU A 40 -4.993 -7.506 4.381 1.00 0.00 O ATOM 542 CB GLU A 40 -3.522 -10.544 4.483 1.00 0.00 C ATOM 543 CG GLU A 40 -2.289 -11.429 4.569 1.00 0.00 C ATOM 544 CD GLU A 40 -2.094 -12.027 5.948 1.00 0.00 C ATOM 545 OE1 GLU A 40 -2.915 -12.881 6.346 1.00 0.00 O ATOM 546 OE2 GLU A 40 -1.122 -11.643 6.630 1.00 0.00 O ATOM 0 H GLU A 40 -2.698 -8.885 6.138 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.505 -9.077 3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.041 -10.564 5.441 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.205 -10.958 3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.372 -12.233 3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.408 -10.845 4.303 1.00 0.00 H new ATOM 553 N THR A 41 -4.999 -8.758 2.512 1.00 0.00 N ATOM 554 CA THR A 41 -6.215 -8.156 1.980 1.00 0.00 C ATOM 555 C THR A 41 -7.258 -9.224 1.664 1.00 0.00 C ATOM 556 O THR A 41 -7.009 -10.418 1.834 1.00 0.00 O ATOM 557 CB THR A 41 -5.901 -7.347 0.722 1.00 0.00 C ATOM 558 OG1 THR A 41 -5.079 -8.090 -0.161 1.00 0.00 O ATOM 559 CG2 THR A 41 -5.197 -6.039 1.012 1.00 0.00 C ATOM 0 H THR A 41 -4.591 -9.479 1.918 1.00 0.00 H new ATOM 0 HA THR A 41 -6.622 -7.489 2.740 1.00 0.00 H new ATOM 0 HB THR A 41 -6.869 -7.129 0.271 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.397 -7.501 -0.546 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.004 -5.515 0.076 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.827 -5.420 1.651 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.252 -6.239 1.518 1.00 0.00 H new ATOM 567 N GLN A 42 -8.425 -8.786 1.206 1.00 0.00 N ATOM 568 CA GLN A 42 -9.506 -9.705 0.865 1.00 0.00 C ATOM 569 C GLN A 42 -9.823 -9.652 -0.627 1.00 0.00 C ATOM 570 O GLN A 42 -10.950 -9.919 -1.042 1.00 0.00 O ATOM 571 CB GLN A 42 -10.760 -9.372 1.677 1.00 0.00 C ATOM 572 CG GLN A 42 -10.852 -10.126 2.993 1.00 0.00 C ATOM 573 CD GLN A 42 -11.892 -11.229 2.964 1.00 0.00 C ATOM 574 OE1 GLN A 42 -13.061 -10.987 2.663 1.00 0.00 O ATOM 575 NE2 GLN A 42 -11.470 -12.449 3.276 1.00 0.00 N ATOM 0 H GLN A 42 -8.647 -7.801 1.062 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.178 -10.715 1.109 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.777 -8.301 1.880 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.642 -9.597 1.077 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.879 -10.556 3.229 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.094 -9.425 3.792 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.492 -12.604 3.519 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -12.124 -13.231 3.272 1.00 0.00 H new ATOM 584 N PHE A 43 -8.820 -9.306 -1.429 1.00 0.00 N ATOM 585 CA PHE A 43 -8.995 -9.221 -2.875 1.00 0.00 C ATOM 586 C PHE A 43 -7.840 -9.900 -3.605 1.00 0.00 C ATOM 587 O PHE A 43 -8.050 -10.638 -4.568 1.00 0.00 O ATOM 588 CB PHE A 43 -9.107 -7.758 -3.314 1.00 0.00 C ATOM 589 CG PHE A 43 -7.855 -6.959 -3.086 1.00 0.00 C ATOM 590 CD1 PHE A 43 -6.835 -6.961 -4.024 1.00 0.00 C ATOM 591 CD2 PHE A 43 -7.700 -6.205 -1.934 1.00 0.00 C ATOM 592 CE1 PHE A 43 -5.683 -6.227 -3.816 1.00 0.00 C ATOM 593 CE2 PHE A 43 -6.550 -5.469 -1.721 1.00 0.00 C ATOM 594 CZ PHE A 43 -5.540 -5.480 -2.664 1.00 0.00 C ATOM 0 H PHE A 43 -7.880 -9.081 -1.103 1.00 0.00 H new ATOM 0 HA PHE A 43 -9.918 -9.740 -3.134 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.360 -7.725 -4.374 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.930 -7.289 -2.775 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.942 -7.543 -4.928 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.487 -6.192 -1.194 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.895 -6.238 -4.554 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.441 -4.886 -0.819 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.640 -4.905 -2.500 1.00 0.00 H new ATOM 604 N ALA A 44 -6.620 -9.646 -3.142 1.00 0.00 N ATOM 605 CA ALA A 44 -5.434 -10.234 -3.751 1.00 0.00 C ATOM 606 C ALA A 44 -4.496 -10.805 -2.689 1.00 0.00 C ATOM 607 O ALA A 44 -4.435 -10.300 -1.568 1.00 0.00 O ATOM 608 CB ALA A 44 -4.707 -9.199 -4.597 1.00 0.00 C ATOM 0 H ALA A 44 -6.428 -9.037 -2.347 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.755 -11.054 -4.394 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.823 -9.652 -5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.371 -8.841 -5.384 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.406 -8.361 -3.968 1.00 0.00 H new ATOM 614 N PRO A 45 -3.753 -11.871 -3.030 1.00 0.00 N ATOM 615 CA PRO A 45 -2.816 -12.509 -2.099 1.00 0.00 C ATOM 616 C PRO A 45 -1.601 -11.635 -1.808 1.00 0.00 C ATOM 617 O PRO A 45 -1.531 -10.487 -2.247 1.00 0.00 O ATOM 618 CB PRO A 45 -2.394 -13.782 -2.836 1.00 0.00 C ATOM 619 CG PRO A 45 -2.583 -13.465 -4.279 1.00 0.00 C ATOM 620 CD PRO A 45 -3.765 -12.537 -4.346 1.00 0.00 C ATOM 0 HA PRO A 45 -3.272 -12.694 -1.126 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.357 -14.039 -2.620 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.003 -14.634 -2.535 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.693 -12.994 -4.695 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.764 -14.371 -4.857 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.666 -11.819 -5.160 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.694 -13.082 -4.512 1.00 0.00 H new ATOM 628 N GLY A 46 -0.646 -12.185 -1.065 1.00 0.00 N ATOM 629 CA GLY A 46 0.553 -11.440 -0.729 1.00 0.00 C ATOM 630 C GLY A 46 0.286 -10.327 0.265 1.00 0.00 C ATOM 631 O GLY A 46 -0.867 -9.975 0.516 1.00 0.00 O ATOM 0 H GLY A 46 -0.681 -13.133 -0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.296 -12.122 -0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.980 -11.016 -1.638 1.00 0.00 H new ATOM 635 N GLN A 47 1.353 -9.773 0.832 1.00 0.00 N ATOM 636 CA GLN A 47 1.228 -8.694 1.804 1.00 0.00 C ATOM 637 C GLN A 47 0.722 -7.418 1.139 1.00 0.00 C ATOM 638 O GLN A 47 0.931 -7.203 -0.055 1.00 0.00 O ATOM 639 CB GLN A 47 2.575 -8.431 2.480 1.00 0.00 C ATOM 640 CG GLN A 47 3.074 -9.597 3.316 1.00 0.00 C ATOM 641 CD GLN A 47 2.292 -9.768 4.604 1.00 0.00 C ATOM 642 OE1 GLN A 47 1.111 -9.427 4.676 1.00 0.00 O ATOM 643 NE2 GLN A 47 2.948 -10.299 5.629 1.00 0.00 N ATOM 0 H GLN A 47 2.314 -10.054 0.635 1.00 0.00 H new ATOM 0 HA GLN A 47 0.504 -9.000 2.559 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.317 -8.199 1.715 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.487 -7.550 3.116 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.007 -10.514 2.730 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.127 -9.445 3.552 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.927 -10.567 5.524 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.473 -10.439 6.521 1.00 0.00 H new ATOM 652 N TRP A 48 0.054 -6.574 1.919 1.00 0.00 N ATOM 653 CA TRP A 48 -0.482 -5.320 1.406 1.00 0.00 C ATOM 654 C TRP A 48 -0.344 -4.206 2.439 1.00 0.00 C ATOM 655 O TRP A 48 -0.002 -4.455 3.594 1.00 0.00 O ATOM 656 CB TRP A 48 -1.952 -5.491 1.017 1.00 0.00 C ATOM 657 CG TRP A 48 -2.140 -6.166 -0.308 1.00 0.00 C ATOM 658 CD1 TRP A 48 -2.293 -7.503 -0.532 1.00 0.00 C ATOM 659 CD2 TRP A 48 -2.194 -5.535 -1.593 1.00 0.00 C ATOM 660 NE1 TRP A 48 -2.438 -7.743 -1.877 1.00 0.00 N ATOM 661 CE2 TRP A 48 -2.381 -6.550 -2.549 1.00 0.00 C ATOM 662 CE3 TRP A 48 -2.102 -4.209 -2.028 1.00 0.00 C ATOM 663 CZ2 TRP A 48 -2.478 -6.281 -3.912 1.00 0.00 C ATOM 664 CZ3 TRP A 48 -2.199 -3.944 -3.380 1.00 0.00 C ATOM 665 CH2 TRP A 48 -2.386 -4.975 -4.309 1.00 0.00 C ATOM 0 H TRP A 48 -0.129 -6.737 2.909 1.00 0.00 H new ATOM 0 HA TRP A 48 0.091 -5.044 0.521 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.459 -6.071 1.788 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.430 -4.512 0.989 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -2.299 -8.262 0.236 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -2.567 -8.660 -2.305 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.958 -3.407 -1.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -2.621 -7.075 -4.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.129 -2.924 -3.727 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.459 -4.734 -5.359 1.00 0.00 H new ATOM 676 N ALA A 49 -0.614 -2.975 2.013 1.00 0.00 N ATOM 677 CA ALA A 49 -0.520 -1.823 2.901 1.00 0.00 C ATOM 678 C ALA A 49 -1.402 -0.680 2.411 1.00 0.00 C ATOM 679 O ALA A 49 -1.155 -0.102 1.353 1.00 0.00 O ATOM 680 CB ALA A 49 0.926 -1.364 3.018 1.00 0.00 C ATOM 0 H ALA A 49 -0.899 -2.751 1.060 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.875 -2.124 3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.982 -0.503 3.684 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.534 -2.174 3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.300 -1.085 2.033 1.00 0.00 H new ATOM 686 N GLY A 50 -2.433 -0.359 3.187 1.00 0.00 N ATOM 687 CA GLY A 50 -3.336 0.714 2.815 1.00 0.00 C ATOM 688 C GLY A 50 -2.749 2.086 3.084 1.00 0.00 C ATOM 689 O GLY A 50 -2.541 2.464 4.237 1.00 0.00 O ATOM 0 H GLY A 50 -2.659 -0.823 4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.581 0.628 1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.269 0.607 3.367 1.00 0.00 H new ATOM 693 N VAL A 51 -2.480 2.832 2.017 1.00 0.00 N ATOM 694 CA VAL A 51 -1.914 4.169 2.143 1.00 0.00 C ATOM 695 C VAL A 51 -2.919 5.234 1.717 1.00 0.00 C ATOM 696 O VAL A 51 -3.522 5.141 0.648 1.00 0.00 O ATOM 697 CB VAL A 51 -0.636 4.321 1.297 1.00 0.00 C ATOM 698 CG1 VAL A 51 0.049 5.645 1.595 1.00 0.00 C ATOM 699 CG2 VAL A 51 0.310 3.156 1.545 1.00 0.00 C ATOM 0 H VAL A 51 -2.645 2.533 1.056 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.664 4.307 3.195 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.917 4.314 0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.950 5.733 0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.629 6.466 1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.318 5.686 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.207 3.281 0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.585 3.129 2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.184 2.223 1.275 1.00 0.00 H new ATOM 709 N VAL A 52 -3.094 6.247 2.561 1.00 0.00 N ATOM 710 CA VAL A 52 -4.026 7.330 2.272 1.00 0.00 C ATOM 711 C VAL A 52 -3.302 8.532 1.675 1.00 0.00 C ATOM 712 O VAL A 52 -2.526 9.202 2.356 1.00 0.00 O ATOM 713 CB VAL A 52 -4.781 7.775 3.539 1.00 0.00 C ATOM 714 CG1 VAL A 52 -5.866 8.782 3.190 1.00 0.00 C ATOM 715 CG2 VAL A 52 -5.372 6.574 4.260 1.00 0.00 C ATOM 0 H VAL A 52 -2.602 6.340 3.450 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.744 6.945 1.548 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.071 8.259 4.209 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.388 9.084 4.098 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.414 9.657 2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.575 8.328 2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.901 6.909 5.152 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.068 6.058 3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.572 5.892 4.548 1.00 0.00 H new ATOM 725 N LEU A 53 -3.562 8.800 0.400 1.00 0.00 N ATOM 726 CA LEU A 53 -2.935 9.923 -0.288 1.00 0.00 C ATOM 727 C LEU A 53 -3.459 11.251 0.249 1.00 0.00 C ATOM 728 O LEU A 53 -4.624 11.362 0.629 1.00 0.00 O ATOM 729 CB LEU A 53 -3.189 9.832 -1.794 1.00 0.00 C ATOM 730 CG LEU A 53 -2.316 8.821 -2.538 1.00 0.00 C ATOM 731 CD1 LEU A 53 -2.862 8.571 -3.936 1.00 0.00 C ATOM 732 CD2 LEU A 53 -0.877 9.308 -2.606 1.00 0.00 C ATOM 0 H LEU A 53 -4.202 8.255 -0.178 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.862 9.876 -0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.236 9.574 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.032 10.817 -2.234 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.335 7.880 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.228 7.849 -4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.876 8.178 -3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.874 9.507 -4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.270 8.576 -3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.840 10.262 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.488 9.436 -1.596 1.00 0.00 H new ATOM 744 N ASP A 54 -2.589 12.256 0.276 1.00 0.00 N ATOM 745 CA ASP A 54 -2.964 13.577 0.766 1.00 0.00 C ATOM 746 C ASP A 54 -4.034 14.204 -0.123 1.00 0.00 C ATOM 747 O ASP A 54 -4.885 14.958 0.350 1.00 0.00 O ATOM 748 CB ASP A 54 -1.737 14.488 0.826 1.00 0.00 C ATOM 749 CG ASP A 54 -1.003 14.382 2.148 1.00 0.00 C ATOM 750 OD1 ASP A 54 -1.657 14.079 3.168 1.00 0.00 O ATOM 751 OD2 ASP A 54 0.226 14.603 2.164 1.00 0.00 O ATOM 0 H ASP A 54 -1.621 12.180 -0.035 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.373 13.462 1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.057 14.231 0.014 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.047 15.521 0.667 1.00 0.00 H new ATOM 756 N ASP A 55 -3.984 13.887 -1.412 1.00 0.00 N ATOM 757 CA ASP A 55 -4.949 14.419 -2.368 1.00 0.00 C ATOM 758 C ASP A 55 -5.743 13.292 -3.025 1.00 0.00 C ATOM 759 O ASP A 55 -5.281 12.153 -3.090 1.00 0.00 O ATOM 760 CB ASP A 55 -4.234 15.244 -3.440 1.00 0.00 C ATOM 761 CG ASP A 55 -3.632 16.519 -2.883 1.00 0.00 C ATOM 762 OD1 ASP A 55 -2.526 16.451 -2.306 1.00 0.00 O ATOM 763 OD2 ASP A 55 -4.267 17.586 -3.023 1.00 0.00 O ATOM 0 H ASP A 55 -3.286 13.265 -1.819 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.643 15.061 -1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.447 14.642 -3.893 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.939 15.495 -4.232 1.00 0.00 H new ATOM 768 N PRO A 56 -6.954 13.597 -3.523 1.00 0.00 N ATOM 769 CA PRO A 56 -7.810 12.603 -4.177 1.00 0.00 C ATOM 770 C PRO A 56 -7.253 12.163 -5.526 1.00 0.00 C ATOM 771 O PRO A 56 -7.698 12.628 -6.576 1.00 0.00 O ATOM 772 CB PRO A 56 -9.137 13.343 -4.361 1.00 0.00 C ATOM 773 CG PRO A 56 -8.765 14.785 -4.403 1.00 0.00 C ATOM 774 CD PRO A 56 -7.580 14.933 -3.490 1.00 0.00 C ATOM 0 HA PRO A 56 -7.896 11.688 -3.591 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.637 13.036 -5.280 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.823 13.135 -3.540 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.517 15.095 -5.418 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.593 15.412 -4.072 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.896 15.706 -3.841 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.883 15.210 -2.480 1.00 0.00 H new ATOM 782 N VAL A 57 -6.274 11.265 -5.490 1.00 0.00 N ATOM 783 CA VAL A 57 -5.653 10.763 -6.710 1.00 0.00 C ATOM 784 C VAL A 57 -5.140 9.339 -6.520 1.00 0.00 C ATOM 785 O VAL A 57 -4.138 8.945 -7.116 1.00 0.00 O ATOM 786 CB VAL A 57 -4.485 11.662 -7.155 1.00 0.00 C ATOM 787 CG1 VAL A 57 -5.008 12.958 -7.755 1.00 0.00 C ATOM 788 CG2 VAL A 57 -3.554 11.946 -5.986 1.00 0.00 C ATOM 0 H VAL A 57 -5.894 10.870 -4.630 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.422 10.769 -7.483 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.917 11.136 -7.922 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.168 13.581 -8.064 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.631 12.733 -8.621 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.600 13.490 -7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.735 12.583 -6.320 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.107 12.452 -5.195 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.152 11.007 -5.605 1.00 0.00 H new ATOM 798 N GLY A 58 -5.834 8.573 -5.686 1.00 0.00 N ATOM 799 CA GLY A 58 -5.435 7.201 -5.432 1.00 0.00 C ATOM 800 C GLY A 58 -6.227 6.204 -6.254 1.00 0.00 C ATOM 801 O GLY A 58 -6.288 6.308 -7.479 1.00 0.00 O ATOM 0 H GLY A 58 -6.666 8.878 -5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.374 7.088 -5.654 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.565 6.978 -4.373 1.00 0.00 H new ATOM 805 N LYS A 59 -6.836 5.235 -5.579 1.00 0.00 N ATOM 806 CA LYS A 59 -7.629 4.214 -6.254 1.00 0.00 C ATOM 807 C LYS A 59 -8.879 3.874 -5.451 1.00 0.00 C ATOM 808 O LYS A 59 -9.999 4.168 -5.872 1.00 0.00 O ATOM 809 CB LYS A 59 -6.792 2.953 -6.476 1.00 0.00 C ATOM 810 CG LYS A 59 -5.548 3.187 -7.317 1.00 0.00 C ATOM 811 CD LYS A 59 -5.281 2.021 -8.256 1.00 0.00 C ATOM 812 CE LYS A 59 -4.114 2.309 -9.187 1.00 0.00 C ATOM 813 NZ LYS A 59 -4.422 1.940 -10.596 1.00 0.00 N ATOM 0 H LYS A 59 -6.796 5.135 -4.565 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.939 4.611 -7.220 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.495 2.549 -5.508 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.411 2.197 -6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.667 4.102 -7.897 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.688 3.333 -6.663 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.070 1.125 -7.673 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.175 1.815 -8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.862 3.368 -9.136 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.237 1.756 -8.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.601 2.152 -11.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.637 0.924 -10.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.243 2.486 -10.926 1.00 0.00 H new ATOM 827 N ASN A 60 -8.682 3.254 -4.293 1.00 0.00 N ATOM 828 CA ASN A 60 -9.794 2.872 -3.430 1.00 0.00 C ATOM 829 C ASN A 60 -10.042 3.930 -2.360 1.00 0.00 C ATOM 830 O ASN A 60 -9.351 4.948 -2.306 1.00 0.00 O ATOM 831 CB ASN A 60 -9.516 1.520 -2.771 1.00 0.00 C ATOM 832 CG ASN A 60 -9.038 0.480 -3.764 1.00 0.00 C ATOM 833 OD1 ASN A 60 -9.528 0.410 -4.892 1.00 0.00 O ATOM 834 ND2 ASN A 60 -8.077 -0.337 -3.348 1.00 0.00 N ATOM 0 H ASN A 60 -7.762 3.005 -3.930 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.688 2.790 -4.048 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.764 1.647 -1.992 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.423 1.163 -2.284 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.716 -1.059 -3.972 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.700 -0.243 -2.405 1.00 0.00 H new ATOM 841 N ASP A 61 -11.031 3.681 -1.508 1.00 0.00 N ATOM 842 CA ASP A 61 -11.371 4.610 -0.436 1.00 0.00 C ATOM 843 C ASP A 61 -11.274 3.927 0.924 1.00 0.00 C ATOM 844 O ASP A 61 -12.069 4.198 1.825 1.00 0.00 O ATOM 845 CB ASP A 61 -12.782 5.164 -0.643 1.00 0.00 C ATOM 846 CG ASP A 61 -13.840 4.079 -0.613 1.00 0.00 C ATOM 847 OD1 ASP A 61 -13.716 3.107 -1.387 1.00 0.00 O ATOM 848 OD2 ASP A 61 -14.794 4.201 0.185 1.00 0.00 O ATOM 0 H ASP A 61 -11.612 2.843 -1.539 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.658 5.434 -0.461 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.998 5.899 0.132 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.828 5.686 -1.599 1.00 0.00 H new ATOM 853 N GLY A 62 -10.295 3.039 1.066 1.00 0.00 N ATOM 854 CA GLY A 62 -10.112 2.329 2.317 1.00 0.00 C ATOM 855 C GLY A 62 -11.062 1.156 2.466 1.00 0.00 C ATOM 856 O GLY A 62 -11.325 0.701 3.580 1.00 0.00 O ATOM 0 H GLY A 62 -9.625 2.799 0.336 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.085 1.970 2.380 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.260 3.019 3.147 1.00 0.00 H new ATOM 860 N ALA A 63 -11.578 0.665 1.344 1.00 0.00 N ATOM 861 CA ALA A 63 -12.502 -0.463 1.358 1.00 0.00 C ATOM 862 C ALA A 63 -12.565 -1.139 -0.008 1.00 0.00 C ATOM 863 O ALA A 63 -12.969 -0.527 -0.996 1.00 0.00 O ATOM 864 CB ALA A 63 -13.889 -0.003 1.784 1.00 0.00 C ATOM 0 H ALA A 63 -11.372 1.030 0.414 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.134 -1.193 2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.569 -0.855 1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.838 0.428 2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.254 0.748 1.083 1.00 0.00 H new ATOM 870 N VAL A 64 -12.162 -2.404 -0.054 1.00 0.00 N ATOM 871 CA VAL A 64 -12.173 -3.164 -1.300 1.00 0.00 C ATOM 872 C VAL A 64 -13.122 -4.353 -1.209 1.00 0.00 C ATOM 873 O VAL A 64 -12.856 -5.321 -0.498 1.00 0.00 O ATOM 874 CB VAL A 64 -10.765 -3.673 -1.659 1.00 0.00 C ATOM 875 CG1 VAL A 64 -10.756 -4.284 -3.052 1.00 0.00 C ATOM 876 CG2 VAL A 64 -9.747 -2.546 -1.557 1.00 0.00 C ATOM 0 H VAL A 64 -11.824 -2.925 0.755 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.517 -2.486 -2.081 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.487 -4.449 -0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.752 -4.638 -3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.453 -5.121 -3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.056 -3.531 -3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.758 -2.925 -1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.020 -1.746 -2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.734 -2.159 -0.538 1.00 0.00 H new ATOM 886 N GLY A 65 -14.233 -4.273 -1.937 1.00 0.00 N ATOM 887 CA GLY A 65 -15.205 -5.350 -1.924 1.00 0.00 C ATOM 888 C GLY A 65 -16.138 -5.277 -0.731 1.00 0.00 C ATOM 889 O GLY A 65 -16.905 -4.324 -0.591 1.00 0.00 O ATOM 0 H GLY A 65 -14.476 -3.483 -2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.791 -5.317 -2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.682 -6.306 -1.914 1.00 0.00 H new ATOM 893 N GLY A 66 -16.072 -6.286 0.132 1.00 0.00 N ATOM 894 CA GLY A 66 -16.923 -6.314 1.308 1.00 0.00 C ATOM 895 C GLY A 66 -16.129 -6.268 2.598 1.00 0.00 C ATOM 896 O GLY A 66 -16.486 -6.924 3.577 1.00 0.00 O ATOM 0 H GLY A 66 -15.445 -7.085 0.038 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.609 -5.468 1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.531 -7.218 1.291 1.00 0.00 H new ATOM 900 N VAL A 67 -15.050 -5.492 2.602 1.00 0.00 N ATOM 901 CA VAL A 67 -14.205 -5.363 3.782 1.00 0.00 C ATOM 902 C VAL A 67 -13.585 -3.973 3.866 1.00 0.00 C ATOM 903 O VAL A 67 -12.889 -3.537 2.949 1.00 0.00 O ATOM 904 CB VAL A 67 -13.080 -6.415 3.785 1.00 0.00 C ATOM 905 CG1 VAL A 67 -12.334 -6.398 5.110 1.00 0.00 C ATOM 906 CG2 VAL A 67 -13.642 -7.799 3.499 1.00 0.00 C ATOM 0 H VAL A 67 -14.741 -4.943 1.800 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.846 -5.525 4.648 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.373 -6.165 2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.543 -7.148 5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.896 -5.413 5.268 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -13.027 -6.621 5.921 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.832 -8.529 3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.372 -8.061 4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.125 -7.801 2.522 1.00 0.00 H new ATOM 916 N ARG A 68 -13.841 -3.282 4.971 1.00 0.00 N ATOM 917 CA ARG A 68 -13.308 -1.940 5.174 1.00 0.00 C ATOM 918 C ARG A 68 -11.993 -1.989 5.946 1.00 0.00 C ATOM 919 O ARG A 68 -11.893 -2.649 6.981 1.00 0.00 O ATOM 920 CB ARG A 68 -14.321 -1.074 5.926 1.00 0.00 C ATOM 921 CG ARG A 68 -13.952 0.400 5.963 1.00 0.00 C ATOM 922 CD ARG A 68 -14.308 1.031 7.298 1.00 0.00 C ATOM 923 NE ARG A 68 -15.750 1.035 7.535 1.00 0.00 N ATOM 924 CZ ARG A 68 -16.313 1.422 8.678 1.00 0.00 C ATOM 925 NH1 ARG A 68 -15.560 1.838 9.689 1.00 0.00 N ATOM 926 NH2 ARG A 68 -17.631 1.394 8.809 1.00 0.00 N ATOM 0 H ARG A 68 -14.414 -3.629 5.740 1.00 0.00 H new ATOM 0 HA ARG A 68 -13.119 -1.499 4.195 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -15.299 -1.184 5.457 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.414 -1.443 6.948 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.884 0.513 5.780 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -14.470 0.926 5.161 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -13.810 0.486 8.100 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -13.933 2.054 7.327 1.00 0.00 H new ATOM 0 HE ARG A 68 -16.361 0.723 6.780 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.545 1.862 9.593 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.997 2.133 10.562 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -18.214 1.076 8.035 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -18.063 1.690 9.684 1.00 0.00 H new ATOM 940 N TYR A 69 -10.987 -1.287 5.437 1.00 0.00 N ATOM 941 CA TYR A 69 -9.677 -1.251 6.078 1.00 0.00 C ATOM 942 C TYR A 69 -9.522 0.006 6.927 1.00 0.00 C ATOM 943 O TYR A 69 -9.034 -0.051 8.056 1.00 0.00 O ATOM 944 CB TYR A 69 -8.569 -1.311 5.026 1.00 0.00 C ATOM 945 CG TYR A 69 -8.619 -2.550 4.161 1.00 0.00 C ATOM 946 CD1 TYR A 69 -9.556 -2.671 3.143 1.00 0.00 C ATOM 947 CD2 TYR A 69 -7.730 -3.597 4.364 1.00 0.00 C ATOM 948 CE1 TYR A 69 -9.605 -3.803 2.350 1.00 0.00 C ATOM 949 CE2 TYR A 69 -7.772 -4.732 3.576 1.00 0.00 C ATOM 950 CZ TYR A 69 -8.711 -4.830 2.571 1.00 0.00 C ATOM 951 OH TYR A 69 -8.756 -5.958 1.784 1.00 0.00 O ATOM 0 H TYR A 69 -11.053 -0.735 4.582 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.595 -2.120 6.730 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.638 -0.430 4.388 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.602 -1.267 5.527 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.257 -1.869 2.968 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.994 -3.523 5.151 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.339 -3.882 1.562 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.073 -5.538 3.747 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.452 -5.738 0.879 1.00 0.00 H new ATOM 961 N PHE A 70 -9.938 1.142 6.376 1.00 0.00 N ATOM 962 CA PHE A 70 -9.845 2.414 7.082 1.00 0.00 C ATOM 963 C PHE A 70 -10.846 3.420 6.526 1.00 0.00 C ATOM 964 O PHE A 70 -11.163 3.404 5.336 1.00 0.00 O ATOM 965 CB PHE A 70 -8.426 2.977 6.976 1.00 0.00 C ATOM 966 CG PHE A 70 -7.932 3.094 5.562 1.00 0.00 C ATOM 967 CD1 PHE A 70 -8.249 4.203 4.794 1.00 0.00 C ATOM 968 CD2 PHE A 70 -7.150 2.096 5.003 1.00 0.00 C ATOM 969 CE1 PHE A 70 -7.796 4.314 3.492 1.00 0.00 C ATOM 970 CE2 PHE A 70 -6.694 2.202 3.703 1.00 0.00 C ATOM 971 CZ PHE A 70 -7.018 3.312 2.946 1.00 0.00 C ATOM 0 H PHE A 70 -10.343 1.207 5.442 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.081 2.237 8.131 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.398 3.961 7.445 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.746 2.336 7.538 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.857 4.989 5.217 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.894 1.226 5.590 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.050 5.183 2.903 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.085 1.418 3.279 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.663 3.396 1.929 1.00 0.00 H new ATOM 981 N GLU A 71 -11.343 4.295 7.394 1.00 0.00 N ATOM 982 CA GLU A 71 -12.309 5.310 6.988 1.00 0.00 C ATOM 983 C GLU A 71 -11.604 6.545 6.439 1.00 0.00 C ATOM 984 O GLU A 71 -11.078 7.361 7.195 1.00 0.00 O ATOM 985 CB GLU A 71 -13.199 5.700 8.170 1.00 0.00 C ATOM 986 CG GLU A 71 -14.640 5.983 7.780 1.00 0.00 C ATOM 987 CD GLU A 71 -15.316 6.964 8.717 1.00 0.00 C ATOM 988 OE1 GLU A 71 -15.639 6.569 9.858 1.00 0.00 O ATOM 989 OE2 GLU A 71 -15.524 8.126 8.311 1.00 0.00 O ATOM 0 H GLU A 71 -11.093 4.322 8.383 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.930 4.888 6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.182 4.897 8.907 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.782 6.584 8.652 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.667 6.379 6.765 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -15.201 5.048 7.772 1.00 0.00 H new ATOM 996 N CYS A 72 -11.596 6.677 5.116 1.00 0.00 N ATOM 997 CA CYS A 72 -10.956 7.812 4.464 1.00 0.00 C ATOM 998 C CYS A 72 -11.736 8.238 3.223 1.00 0.00 C ATOM 999 O CYS A 72 -12.519 7.462 2.675 1.00 0.00 O ATOM 1000 CB CYS A 72 -9.517 7.461 4.081 1.00 0.00 C ATOM 1001 SG CYS A 72 -8.309 7.764 5.391 1.00 0.00 S ATOM 0 H CYS A 72 -12.026 6.011 4.475 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.945 8.645 5.167 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -9.474 6.409 3.798 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -9.235 8.039 3.201 1.00 0.00 H new ATOM 0 HG CYS A 72 -8.903 7.726 6.547 1.00 0.00 H new ATOM 1007 N PRO A 73 -11.532 9.484 2.761 1.00 0.00 N ATOM 1008 CA PRO A 73 -12.221 10.010 1.579 1.00 0.00 C ATOM 1009 C PRO A 73 -12.094 9.084 0.374 1.00 0.00 C ATOM 1010 O PRO A 73 -11.451 8.036 0.449 1.00 0.00 O ATOM 1011 CB PRO A 73 -11.507 11.337 1.311 1.00 0.00 C ATOM 1012 CG PRO A 73 -10.967 11.749 2.637 1.00 0.00 C ATOM 1013 CD PRO A 73 -10.616 10.475 3.355 1.00 0.00 C ATOM 0 HA PRO A 73 -13.293 10.114 1.746 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.709 11.217 0.578 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.195 12.084 0.914 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -10.090 12.386 2.521 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.705 12.322 3.198 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.572 10.201 3.200 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.765 10.566 4.431 1.00 0.00 H new ATOM 1021 N ALA A 74 -12.709 9.476 -0.736 1.00 0.00 N ATOM 1022 CA ALA A 74 -12.664 8.681 -1.956 1.00 0.00 C ATOM 1023 C ALA A 74 -11.434 9.023 -2.790 1.00 0.00 C ATOM 1024 O ALA A 74 -10.955 10.156 -2.773 1.00 0.00 O ATOM 1025 CB ALA A 74 -13.931 8.894 -2.772 1.00 0.00 C ATOM 0 H ALA A 74 -13.245 10.340 -0.816 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.598 7.631 -1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -13.884 8.294 -3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -14.798 8.593 -2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.020 9.947 -3.037 1.00 0.00 H new ATOM 1031 N LEU A 75 -10.926 8.034 -3.519 1.00 0.00 N ATOM 1032 CA LEU A 75 -9.750 8.230 -4.359 1.00 0.00 C ATOM 1033 C LEU A 75 -8.545 8.647 -3.523 1.00 0.00 C ATOM 1034 O LEU A 75 -7.666 9.365 -3.998 1.00 0.00 O ATOM 1035 CB LEU A 75 -10.033 9.286 -5.428 1.00 0.00 C ATOM 1036 CG LEU A 75 -11.233 8.990 -6.330 1.00 0.00 C ATOM 1037 CD1 LEU A 75 -11.787 10.278 -6.919 1.00 0.00 C ATOM 1038 CD2 LEU A 75 -10.842 8.021 -7.436 1.00 0.00 C ATOM 0 H LEU A 75 -11.310 7.089 -3.545 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.520 7.282 -4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.196 10.245 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.147 9.395 -6.053 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.012 8.525 -5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.640 10.049 -7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.105 10.939 -6.113 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.014 10.770 -7.509 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.707 7.822 -8.068 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.046 8.459 -8.038 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.492 7.088 -6.995 1.00 0.00 H new ATOM 1050 N GLN A 76 -8.511 8.194 -2.273 1.00 0.00 N ATOM 1051 CA GLN A 76 -7.414 8.523 -1.370 1.00 0.00 C ATOM 1052 C GLN A 76 -6.775 7.259 -0.803 1.00 0.00 C ATOM 1053 O GLN A 76 -5.555 7.175 -0.669 1.00 0.00 O ATOM 1054 CB GLN A 76 -7.912 9.414 -0.231 1.00 0.00 C ATOM 1055 CG GLN A 76 -7.803 10.900 -0.531 1.00 0.00 C ATOM 1056 CD GLN A 76 -8.169 11.764 0.660 1.00 0.00 C ATOM 1057 OE1 GLN A 76 -9.007 12.660 0.558 1.00 0.00 O ATOM 1058 NE2 GLN A 76 -7.539 11.499 1.799 1.00 0.00 N ATOM 0 H GLN A 76 -9.230 7.598 -1.863 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.658 9.064 -1.940 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.953 9.170 -0.018 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.341 9.191 0.670 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.784 11.130 -0.843 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.456 11.147 -1.368 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.851 10.747 1.838 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.743 12.048 2.634 1.00 0.00 H new ATOM 1067 N GLY A 77 -7.609 6.282 -0.471 1.00 0.00 N ATOM 1068 CA GLY A 77 -7.110 5.035 0.079 1.00 0.00 C ATOM 1069 C GLY A 77 -6.562 4.108 -0.989 1.00 0.00 C ATOM 1070 O GLY A 77 -7.274 3.239 -1.490 1.00 0.00 O ATOM 0 H GLY A 77 -8.623 6.330 -0.573 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.327 5.250 0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.914 4.531 0.616 1.00 0.00 H new ATOM 1074 N ILE A 78 -5.292 4.294 -1.335 1.00 0.00 N ATOM 1075 CA ILE A 78 -4.649 3.467 -2.350 1.00 0.00 C ATOM 1076 C ILE A 78 -3.869 2.321 -1.711 1.00 0.00 C ATOM 1077 O ILE A 78 -3.061 2.534 -0.808 1.00 0.00 O ATOM 1078 CB ILE A 78 -3.697 4.300 -3.234 1.00 0.00 C ATOM 1079 CG1 ILE A 78 -3.133 3.442 -4.368 1.00 0.00 C ATOM 1080 CG2 ILE A 78 -2.570 4.891 -2.398 1.00 0.00 C ATOM 1081 CD1 ILE A 78 -2.470 4.248 -5.464 1.00 0.00 C ATOM 0 H ILE A 78 -4.689 5.009 -0.928 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.442 3.056 -2.975 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.264 5.121 -3.673 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.408 2.740 -3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.940 2.850 -4.801 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.909 5.475 -3.039 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.989 5.536 -1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.003 4.086 -1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.094 3.575 -6.234 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.197 4.931 -5.903 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.642 4.819 -5.045 1.00 0.00 H new ATOM 1093 N PHE A 79 -4.119 1.105 -2.186 1.00 0.00 N ATOM 1094 CA PHE A 79 -3.441 -0.075 -1.661 1.00 0.00 C ATOM 1095 C PHE A 79 -2.309 -0.510 -2.587 1.00 0.00 C ATOM 1096 O PHE A 79 -2.497 -0.634 -3.797 1.00 0.00 O ATOM 1097 CB PHE A 79 -4.436 -1.223 -1.478 1.00 0.00 C ATOM 1098 CG PHE A 79 -4.973 -1.335 -0.079 1.00 0.00 C ATOM 1099 CD1 PHE A 79 -4.204 -1.892 0.930 1.00 0.00 C ATOM 1100 CD2 PHE A 79 -6.247 -0.882 0.227 1.00 0.00 C ATOM 1101 CE1 PHE A 79 -4.695 -1.996 2.217 1.00 0.00 C ATOM 1102 CE2 PHE A 79 -6.743 -0.983 1.513 1.00 0.00 C ATOM 1103 CZ PHE A 79 -5.966 -1.541 2.510 1.00 0.00 C ATOM 0 H PHE A 79 -4.786 0.911 -2.933 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.014 0.184 -0.692 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.268 -1.085 -2.168 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.950 -2.161 -1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.209 -2.249 0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.859 -0.445 -0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.085 -2.433 2.994 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -7.737 -0.626 1.738 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.351 -1.621 3.516 1.00 0.00 H new ATOM 1113 N THR A 80 -1.134 -0.738 -2.011 1.00 0.00 N ATOM 1114 CA THR A 80 0.028 -1.160 -2.783 1.00 0.00 C ATOM 1115 C THR A 80 1.016 -1.924 -1.907 1.00 0.00 C ATOM 1116 O THR A 80 0.956 -1.852 -0.679 1.00 0.00 O ATOM 1117 CB THR A 80 0.717 0.054 -3.409 1.00 0.00 C ATOM 1118 OG1 THR A 80 1.793 -0.350 -4.238 1.00 0.00 O ATOM 1119 CG2 THR A 80 1.266 1.024 -2.385 1.00 0.00 C ATOM 0 H THR A 80 -0.961 -0.637 -1.011 1.00 0.00 H new ATOM 0 HA THR A 80 -0.315 -1.825 -3.576 1.00 0.00 H new ATOM 0 HB THR A 80 -0.057 0.559 -3.986 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.219 0.441 -4.630 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.741 1.862 -2.895 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.452 1.394 -1.761 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.000 0.516 -1.760 1.00 0.00 H new ATOM 1127 N ARG A 81 1.922 -2.657 -2.545 1.00 0.00 N ATOM 1128 CA ARG A 81 2.922 -3.434 -1.822 1.00 0.00 C ATOM 1129 C ARG A 81 3.817 -2.524 -0.981 1.00 0.00 C ATOM 1130 O ARG A 81 4.361 -1.541 -1.485 1.00 0.00 O ATOM 1131 CB ARG A 81 3.775 -4.241 -2.802 1.00 0.00 C ATOM 1132 CG ARG A 81 2.996 -5.306 -3.555 1.00 0.00 C ATOM 1133 CD ARG A 81 3.643 -5.628 -4.892 1.00 0.00 C ATOM 1134 NE ARG A 81 3.768 -4.445 -5.738 1.00 0.00 N ATOM 1135 CZ ARG A 81 2.757 -3.908 -6.416 1.00 0.00 C ATOM 1136 NH1 ARG A 81 1.546 -4.445 -6.352 1.00 0.00 N ATOM 1137 NH2 ARG A 81 2.958 -2.830 -7.163 1.00 0.00 N ATOM 0 H ARG A 81 1.984 -2.729 -3.561 1.00 0.00 H new ATOM 0 HA ARG A 81 2.400 -4.119 -1.153 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.230 -3.559 -3.521 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.589 -4.717 -2.255 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.937 -6.211 -2.951 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.974 -4.964 -3.717 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.630 -6.059 -4.723 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.050 -6.383 -5.409 1.00 0.00 H new ATOM 0 HE ARG A 81 4.685 -4.004 -5.814 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.385 -5.275 -5.781 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.775 -4.028 -6.874 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.887 -2.413 -7.217 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.183 -2.418 -7.683 1.00 0.00 H new ATOM 1151 N PRO A 82 3.984 -2.837 0.318 1.00 0.00 N ATOM 1152 CA PRO A 82 4.820 -2.036 1.218 1.00 0.00 C ATOM 1153 C PRO A 82 6.230 -1.835 0.673 1.00 0.00 C ATOM 1154 O PRO A 82 6.815 -0.760 0.816 1.00 0.00 O ATOM 1155 CB PRO A 82 4.860 -2.865 2.504 1.00 0.00 C ATOM 1156 CG PRO A 82 3.622 -3.691 2.461 1.00 0.00 C ATOM 1157 CD PRO A 82 3.376 -3.990 1.010 1.00 0.00 C ATOM 0 HA PRO A 82 4.420 -1.031 1.356 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.752 -3.490 2.544 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.879 -2.226 3.387 1.00 0.00 H new ATOM 0 HG2 PRO A 82 3.746 -4.610 3.034 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.779 -3.155 2.897 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.839 -4.930 0.709 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.311 -4.075 0.792 1.00 0.00 H new ATOM 1165 N SER A 83 6.771 -2.875 0.048 1.00 0.00 N ATOM 1166 CA SER A 83 8.114 -2.814 -0.519 1.00 0.00 C ATOM 1167 C SER A 83 8.221 -1.696 -1.551 1.00 0.00 C ATOM 1168 O SER A 83 9.282 -1.094 -1.722 1.00 0.00 O ATOM 1169 CB SER A 83 8.480 -4.153 -1.162 1.00 0.00 C ATOM 1170 OG SER A 83 8.595 -5.173 -0.185 1.00 0.00 O ATOM 0 H SER A 83 6.300 -3.771 -0.079 1.00 0.00 H new ATOM 0 HA SER A 83 8.813 -2.604 0.291 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.720 -4.429 -1.893 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.421 -4.055 -1.703 1.00 0.00 H new ATOM 0 HG SER A 83 8.828 -6.019 -0.621 1.00 0.00 H new ATOM 1176 N LYS A 84 7.116 -1.422 -2.237 1.00 0.00 N ATOM 1177 CA LYS A 84 7.086 -0.376 -3.252 1.00 0.00 C ATOM 1178 C LYS A 84 7.143 1.007 -2.612 1.00 0.00 C ATOM 1179 O LYS A 84 7.672 1.951 -3.197 1.00 0.00 O ATOM 1180 CB LYS A 84 5.823 -0.504 -4.107 1.00 0.00 C ATOM 1181 CG LYS A 84 5.811 -1.737 -4.994 1.00 0.00 C ATOM 1182 CD LYS A 84 6.409 -1.447 -6.361 1.00 0.00 C ATOM 1183 CE LYS A 84 7.860 -1.891 -6.440 1.00 0.00 C ATOM 1184 NZ LYS A 84 8.528 -1.390 -7.674 1.00 0.00 N ATOM 0 H LYS A 84 6.230 -1.910 -2.108 1.00 0.00 H new ATOM 0 HA LYS A 84 7.962 -0.497 -3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.952 -0.529 -3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.726 0.384 -4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.372 -2.538 -4.513 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.787 -2.092 -5.112 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.829 -1.958 -7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.342 -0.379 -6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.398 -1.530 -5.564 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.908 -2.980 -6.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.516 -1.715 -7.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.030 -1.755 -8.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.505 -0.350 -7.684 1.00 0.00 H new ATOM 1198 N LEU A 85 6.594 1.119 -1.405 1.00 0.00 N ATOM 1199 CA LEU A 85 6.584 2.387 -0.685 1.00 0.00 C ATOM 1200 C LEU A 85 7.998 2.806 -0.300 1.00 0.00 C ATOM 1201 O LEU A 85 8.914 1.985 -0.272 1.00 0.00 O ATOM 1202 CB LEU A 85 5.712 2.277 0.567 1.00 0.00 C ATOM 1203 CG LEU A 85 4.315 1.698 0.335 1.00 0.00 C ATOM 1204 CD1 LEU A 85 3.550 1.607 1.647 1.00 0.00 C ATOM 1205 CD2 LEU A 85 3.550 2.542 -0.672 1.00 0.00 C ATOM 0 H LEU A 85 6.151 0.347 -0.906 1.00 0.00 H new ATOM 0 HA LEU A 85 6.168 3.148 -1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.229 1.656 1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.609 3.269 1.008 1.00 0.00 H new ATOM 0 HG LEU A 85 4.422 0.692 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.559 1.193 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.090 0.961 2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.452 2.602 2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.558 2.116 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.453 3.560 -0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.089 2.556 -1.619 1.00 0.00 H new ATOM 1217 N THR A 86 8.168 4.090 -0.002 1.00 0.00 N ATOM 1218 CA THR A 86 9.471 4.620 0.383 1.00 0.00 C ATOM 1219 C THR A 86 9.319 5.793 1.345 1.00 0.00 C ATOM 1220 O THR A 86 8.219 6.310 1.539 1.00 0.00 O ATOM 1221 CB THR A 86 10.251 5.062 -0.856 1.00 0.00 C ATOM 1222 OG1 THR A 86 9.374 5.554 -1.853 1.00 0.00 O ATOM 1223 CG2 THR A 86 11.072 3.950 -1.475 1.00 0.00 C ATOM 0 H THR A 86 7.420 4.783 -0.020 1.00 0.00 H new ATOM 0 HA THR A 86 10.022 3.827 0.889 1.00 0.00 H new ATOM 0 HB THR A 86 10.928 5.841 -0.507 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.893 5.833 -2.636 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.600 4.331 -2.349 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.795 3.582 -0.746 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.413 3.135 -1.776 1.00 0.00 H new ATOM 1231 N ARG A 87 10.429 6.207 1.947 1.00 0.00 N ATOM 1232 CA ARG A 87 10.417 7.320 2.889 1.00 0.00 C ATOM 1233 C ARG A 87 11.003 8.577 2.257 1.00 0.00 C ATOM 1234 O ARG A 87 11.585 9.416 2.944 1.00 0.00 O ATOM 1235 CB ARG A 87 11.202 6.955 4.150 1.00 0.00 C ATOM 1236 CG ARG A 87 10.375 6.214 5.189 1.00 0.00 C ATOM 1237 CD ARG A 87 11.241 5.696 6.328 1.00 0.00 C ATOM 1238 NE ARG A 87 10.787 6.186 7.627 1.00 0.00 N ATOM 1239 CZ ARG A 87 11.072 7.397 8.105 1.00 0.00 C ATOM 1240 NH1 ARG A 87 11.808 8.242 7.395 1.00 0.00 N ATOM 1241 NH2 ARG A 87 10.618 7.762 9.297 1.00 0.00 N ATOM 0 H ARG A 87 11.348 5.789 1.799 1.00 0.00 H new ATOM 0 HA ARG A 87 9.381 7.523 3.159 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.056 6.338 3.870 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.600 7.866 4.597 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.609 6.879 5.587 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.858 5.379 4.716 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.228 4.606 6.327 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.274 6.002 6.166 1.00 0.00 H new ATOM 0 HE ARG A 87 10.218 5.565 8.202 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.159 7.966 6.478 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.023 9.167 7.766 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.051 7.116 9.847 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.836 8.689 9.664 1.00 0.00 H new ATOM 1255 N GLN A 88 10.846 8.702 0.942 1.00 0.00 N ATOM 1256 CA GLN A 88 11.360 9.859 0.217 1.00 0.00 C ATOM 1257 C GLN A 88 10.998 9.776 -1.264 1.00 0.00 C ATOM 1258 O GLN A 88 10.955 8.690 -1.841 1.00 0.00 O ATOM 1259 CB GLN A 88 12.880 9.957 0.382 1.00 0.00 C ATOM 1260 CG GLN A 88 13.325 11.149 1.213 1.00 0.00 C ATOM 1261 CD GLN A 88 13.901 12.267 0.366 1.00 0.00 C ATOM 1262 OE1 GLN A 88 14.824 12.053 -0.421 1.00 0.00 O ATOM 1263 NE2 GLN A 88 13.360 13.469 0.526 1.00 0.00 N ATOM 0 H GLN A 88 10.367 8.017 0.358 1.00 0.00 H new ATOM 0 HA GLN A 88 10.900 10.754 0.635 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.246 9.042 0.848 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.341 10.019 -0.604 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.476 11.529 1.781 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.073 10.824 1.937 1.00 0.00 H new ATOM 0 HE21 GLN A 88 12.597 13.600 1.190 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.708 14.261 -0.015 1.00 0.00 H new ATOM 1272 N PRO A 89 10.732 10.929 -1.904 1.00 0.00 N ATOM 1273 CA PRO A 89 10.373 10.979 -3.324 1.00 0.00 C ATOM 1274 C PRO A 89 11.568 10.706 -4.233 1.00 0.00 C ATOM 1275 O PRO A 89 12.516 11.489 -4.279 1.00 0.00 O ATOM 1276 CB PRO A 89 9.875 12.412 -3.512 1.00 0.00 C ATOM 1277 CG PRO A 89 10.590 13.197 -2.468 1.00 0.00 C ATOM 1278 CD PRO A 89 10.760 12.273 -1.294 1.00 0.00 C ATOM 0 HA PRO A 89 9.637 10.219 -3.586 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.102 12.783 -4.512 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.794 12.476 -3.386 1.00 0.00 H new ATOM 0 HG2 PRO A 89 11.556 13.543 -2.834 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.020 14.083 -2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.699 12.457 -0.772 1.00 0.00 H new ATOM 0 HD3 PRO A 89 9.960 12.399 -0.565 1.00 0.00 H new