USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 655 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 14 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A 91 HIS : no HD1:sc= -2.68! C(o=-2.7!,f=-4.4!) USER MOD Single : A 12 HIS :FLIP no HD1:sc= -1.4 F(o=-2.8!,f=-1.4) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -10:sc= 0.293 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.83 K(o=-2.8,f=-9.1!) USER MOD Single : A 54 CYS SG : rot 94:sc= -2.59! USER MOD Single : A 65 HIS : no HD1:sc= -2.61! C(o=-2.6!,f=-4.7!) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.554 F(o=-3.7!,f=-0.55) USER MOD Single : A 70 SER OG : rot 36:sc= 0.834 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.517 X(o=-0.52,f=-0.036) USER MOD Single : A 78 GLN : amide:sc= -0.913 K(o=-0.91,f=-3.4!) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 111 N HIS A 12 -3.874 -11.274 -3.700 1.00 0.00 N ATOM 112 CA HIS A 12 -3.822 -9.876 -3.289 1.00 0.00 C ATOM 113 C HIS A 12 -4.921 -9.565 -2.278 1.00 0.00 C ATOM 114 O HIS A 12 -6.091 -9.880 -2.501 1.00 0.00 O ATOM 115 CB HIS A 12 -3.958 -8.960 -4.506 1.00 0.00 C ATOM 116 CG HIS A 12 -3.413 -9.555 -5.768 1.00 0.00 C ATOM 117 ND1 HIS A 12 -2.190 -9.454 -6.339 1.00 0.00 N flip ATOM 118 CD2 HIS A 12 -4.157 -10.364 -6.601 1.00 0.00 C flip ATOM 119 CE1 HIS A 12 -2.217 -10.197 -7.493 1.00 0.00 C flip ATOM 120 NE2 HIS A 12 -3.415 -10.736 -7.628 1.00 0.00 N flip ATOM 0 HA HIS A 12 -2.857 -9.698 -2.815 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -5.011 -8.719 -4.653 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.441 -8.022 -4.304 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -5.186 -10.649 -6.439 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -1.392 -10.321 -8.179 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -3.716 -11.337 -8.395 1.00 0.00 H new ATOM 129 N PHE A 13 -4.539 -8.945 -1.167 1.00 0.00 N ATOM 130 CA PHE A 13 -5.492 -8.594 -0.121 1.00 0.00 C ATOM 131 C PHE A 13 -5.354 -7.125 0.269 1.00 0.00 C ATOM 132 O PHE A 13 -4.444 -6.433 -0.188 1.00 0.00 O ATOM 133 CB PHE A 13 -5.283 -9.481 1.108 1.00 0.00 C ATOM 134 CG PHE A 13 -3.860 -9.519 1.585 1.00 0.00 C ATOM 135 CD1 PHE A 13 -3.348 -8.492 2.363 1.00 0.00 C ATOM 136 CD2 PHE A 13 -3.033 -10.580 1.257 1.00 0.00 C ATOM 137 CE1 PHE A 13 -2.039 -8.524 2.803 1.00 0.00 C ATOM 138 CE2 PHE A 13 -1.722 -10.618 1.694 1.00 0.00 C ATOM 139 CZ PHE A 13 -1.225 -9.589 2.469 1.00 0.00 C ATOM 0 H PHE A 13 -3.576 -8.675 -0.968 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.497 -8.756 -0.511 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.919 -9.123 1.917 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.606 -10.495 0.873 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.980 -7.657 2.628 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.417 -11.388 0.652 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.652 -7.717 3.408 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.088 -11.451 1.430 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.202 -9.617 2.813 1.00 0.00 H new ATOM 149 N SER A 14 -6.264 -6.656 1.116 1.00 0.00 N ATOM 150 CA SER A 14 -6.248 -5.268 1.565 1.00 0.00 C ATOM 151 C SER A 14 -6.055 -5.188 3.076 1.00 0.00 C ATOM 152 O SER A 14 -6.343 -6.140 3.802 1.00 0.00 O ATOM 153 CB SER A 14 -7.548 -4.566 1.168 1.00 0.00 C ATOM 154 OG SER A 14 -7.915 -4.887 -0.163 1.00 0.00 O ATOM 0 H SER A 14 -7.022 -7.216 1.506 1.00 0.00 H new ATOM 0 HA SER A 14 -5.410 -4.766 1.082 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.346 -4.860 1.850 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.427 -3.487 1.265 1.00 0.00 H new ATOM 0 HG SER A 14 -8.870 -4.707 -0.292 1.00 0.00 H new ATOM 160 N VAL A 15 -5.565 -4.045 3.544 1.00 0.00 N ATOM 161 CA VAL A 15 -5.334 -3.838 4.969 1.00 0.00 C ATOM 162 C VAL A 15 -6.252 -2.755 5.523 1.00 0.00 C ATOM 163 O VAL A 15 -6.225 -1.612 5.068 1.00 0.00 O ATOM 164 CB VAL A 15 -3.870 -3.448 5.249 1.00 0.00 C ATOM 165 CG1 VAL A 15 -3.679 -3.114 6.721 1.00 0.00 C ATOM 166 CG2 VAL A 15 -2.930 -4.564 4.820 1.00 0.00 C ATOM 0 H VAL A 15 -5.320 -3.248 2.957 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.552 -4.783 5.466 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.631 -2.559 4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.639 -2.841 6.900 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.325 -2.279 6.991 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.936 -3.983 7.327 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.900 -4.271 5.025 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.166 -5.472 5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.049 -4.749 3.752 1.00 0.00 H new ATOM 176 N GLU A 16 -7.064 -3.122 6.510 1.00 0.00 N ATOM 177 CA GLU A 16 -7.991 -2.181 7.126 1.00 0.00 C ATOM 178 C GLU A 16 -7.576 -1.869 8.561 1.00 0.00 C ATOM 179 O GLU A 16 -7.617 -2.737 9.434 1.00 0.00 O ATOM 180 CB GLU A 16 -9.413 -2.744 7.106 1.00 0.00 C ATOM 181 CG GLU A 16 -10.466 -1.757 7.581 1.00 0.00 C ATOM 182 CD GLU A 16 -11.853 -2.368 7.644 1.00 0.00 C ATOM 183 OE1 GLU A 16 -12.377 -2.763 6.582 1.00 0.00 O ATOM 184 OE2 GLU A 16 -12.413 -2.451 8.757 1.00 0.00 O ATOM 0 H GLU A 16 -7.098 -4.064 6.900 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.966 -1.256 6.549 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.655 -3.060 6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.451 -3.634 7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.191 -1.386 8.568 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.482 -0.898 6.911 1.00 0.00 H new ATOM 191 N LEU A 17 -7.176 -0.625 8.798 1.00 0.00 N ATOM 192 CA LEU A 17 -6.753 -0.197 10.127 1.00 0.00 C ATOM 193 C LEU A 17 -7.510 1.053 10.563 1.00 0.00 C ATOM 194 O LEU A 17 -8.185 1.696 9.759 1.00 0.00 O ATOM 195 CB LEU A 17 -5.247 0.074 10.141 1.00 0.00 C ATOM 196 CG LEU A 17 -4.346 -1.128 9.859 1.00 0.00 C ATOM 197 CD1 LEU A 17 -2.991 -0.670 9.341 1.00 0.00 C ATOM 198 CD2 LEU A 17 -4.181 -1.977 11.111 1.00 0.00 C ATOM 0 H LEU A 17 -7.136 0.105 8.087 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.979 -0.999 10.830 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.030 0.846 9.403 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.981 0.481 11.116 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.819 -1.739 9.090 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.363 -1.539 9.146 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.126 -0.106 8.418 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.511 -0.036 10.087 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.537 -2.828 10.891 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.731 -1.376 11.901 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.157 -2.336 11.438 1.00 0.00 H new ATOM 210 N VAL A 18 -7.392 1.393 11.843 1.00 0.00 N ATOM 211 CA VAL A 18 -8.063 2.568 12.387 1.00 0.00 C ATOM 212 C VAL A 18 -7.054 3.625 12.821 1.00 0.00 C ATOM 213 O VAL A 18 -6.284 3.415 13.759 1.00 0.00 O ATOM 214 CB VAL A 18 -8.954 2.200 13.588 1.00 0.00 C ATOM 215 CG1 VAL A 18 -9.593 3.447 14.180 1.00 0.00 C ATOM 216 CG2 VAL A 18 -10.015 1.192 13.175 1.00 0.00 C ATOM 0 H VAL A 18 -6.838 0.871 12.522 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.688 2.972 11.591 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.330 1.742 14.355 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.219 3.168 15.027 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.813 4.131 14.515 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.205 3.937 13.423 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.635 0.943 14.036 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.638 1.621 12.390 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.533 0.288 12.802 1.00 0.00 H new ATOM 226 N ARG A 19 -7.063 4.762 12.133 1.00 0.00 N ATOM 227 CA ARG A 19 -6.148 5.853 12.448 1.00 0.00 C ATOM 228 C ARG A 19 -5.993 6.015 13.957 1.00 0.00 C ATOM 229 O ARG A 19 -6.930 6.412 14.648 1.00 0.00 O ATOM 230 CB ARG A 19 -6.649 7.161 11.832 1.00 0.00 C ATOM 231 CG ARG A 19 -5.551 8.188 11.608 1.00 0.00 C ATOM 232 CD ARG A 19 -6.092 9.444 10.943 1.00 0.00 C ATOM 233 NE ARG A 19 -5.161 10.564 11.051 1.00 0.00 N ATOM 234 CZ ARG A 19 -5.357 11.742 10.469 1.00 0.00 C ATOM 235 NH1 ARG A 19 -6.446 11.953 9.742 1.00 0.00 N ATOM 236 NH2 ARG A 19 -4.464 12.713 10.614 1.00 0.00 N ATOM 0 H ARG A 19 -7.694 4.952 11.354 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.173 5.610 12.025 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.131 6.943 10.879 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.410 7.591 12.483 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.094 8.448 12.563 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.767 7.755 10.987 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.293 9.240 9.891 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.042 9.717 11.402 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.314 10.435 11.604 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.135 11.210 9.629 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.594 12.858 9.296 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.626 12.555 11.173 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.616 13.617 10.166 1.00 0.00 H new ATOM 250 N GLY A 20 -4.803 5.703 14.462 1.00 0.00 N ATOM 251 CA GLY A 20 -4.548 5.820 15.886 1.00 0.00 C ATOM 252 C GLY A 20 -3.991 7.178 16.265 1.00 0.00 C ATOM 253 O GLY A 20 -4.508 8.210 15.838 1.00 0.00 O ATOM 0 H GLY A 20 -4.012 5.371 13.911 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.474 5.645 16.434 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.846 5.044 16.191 1.00 0.00 H new ATOM 257 N TYR A 21 -2.935 7.178 17.071 1.00 0.00 N ATOM 258 CA TYR A 21 -2.310 8.419 17.512 1.00 0.00 C ATOM 259 C TYR A 21 -1.292 8.910 16.487 1.00 0.00 C ATOM 260 O TYR A 21 -0.407 8.165 16.069 1.00 0.00 O ATOM 261 CB TYR A 21 -1.631 8.219 18.868 1.00 0.00 C ATOM 262 CG TYR A 21 -1.458 9.500 19.653 1.00 0.00 C ATOM 263 CD1 TYR A 21 -0.656 10.529 19.175 1.00 0.00 C ATOM 264 CD2 TYR A 21 -2.099 9.681 20.873 1.00 0.00 C ATOM 265 CE1 TYR A 21 -0.495 11.700 19.890 1.00 0.00 C ATOM 266 CE2 TYR A 21 -1.945 10.849 21.594 1.00 0.00 C ATOM 267 CZ TYR A 21 -1.142 11.855 21.099 1.00 0.00 C ATOM 268 OH TYR A 21 -0.985 13.021 21.813 1.00 0.00 O ATOM 0 H TYR A 21 -2.494 6.332 17.432 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.090 9.174 17.612 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.219 7.517 19.459 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.653 7.764 18.712 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.150 10.411 18.228 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.728 8.895 21.264 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.133 12.489 19.505 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.451 10.974 22.540 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.508 12.971 22.640 1.00 0.00 H new ATOM 278 N ALA A 22 -1.424 10.171 16.089 1.00 0.00 N ATOM 279 CA ALA A 22 -0.515 10.764 15.116 1.00 0.00 C ATOM 280 C ALA A 22 -0.493 9.957 13.822 1.00 0.00 C ATOM 281 O ALA A 22 0.572 9.593 13.324 1.00 0.00 O ATOM 282 CB ALA A 22 0.886 10.869 15.699 1.00 0.00 C ATOM 0 H ALA A 22 -2.152 10.802 16.425 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.875 11.766 14.882 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.555 11.314 14.962 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.863 11.494 16.591 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.246 9.874 15.962 1.00 0.00 H new ATOM 288 N GLY A 23 -1.676 9.680 13.282 1.00 0.00 N ATOM 289 CA GLY A 23 -1.769 8.916 12.052 1.00 0.00 C ATOM 290 C GLY A 23 -1.759 7.420 12.295 1.00 0.00 C ATOM 291 O GLY A 23 -2.087 6.960 13.389 1.00 0.00 O ATOM 0 H GLY A 23 -2.571 9.971 13.674 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.684 9.189 11.527 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.936 9.180 11.400 1.00 0.00 H new ATOM 295 N PHE A 24 -1.384 6.658 11.273 1.00 0.00 N ATOM 296 CA PHE A 24 -1.336 5.205 11.380 1.00 0.00 C ATOM 297 C PHE A 24 0.026 4.742 11.889 1.00 0.00 C ATOM 298 O PHE A 24 0.141 3.691 12.518 1.00 0.00 O ATOM 299 CB PHE A 24 -1.631 4.562 10.023 1.00 0.00 C ATOM 300 CG PHE A 24 -3.091 4.545 9.672 1.00 0.00 C ATOM 301 CD1 PHE A 24 -3.920 3.543 10.150 1.00 0.00 C ATOM 302 CD2 PHE A 24 -3.635 5.531 8.865 1.00 0.00 C ATOM 303 CE1 PHE A 24 -5.265 3.525 9.829 1.00 0.00 C ATOM 304 CE2 PHE A 24 -4.979 5.519 8.542 1.00 0.00 C ATOM 305 CZ PHE A 24 -5.794 4.513 9.024 1.00 0.00 C ATOM 0 H PHE A 24 -1.109 7.023 10.361 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.097 4.893 12.095 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.086 5.101 9.248 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.254 3.539 10.025 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.511 2.767 10.780 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.002 6.318 8.484 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.901 2.738 10.208 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.391 6.295 7.914 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.844 4.500 8.771 1.00 0.00 H new ATOM 315 N GLY A 25 1.056 5.536 11.612 1.00 0.00 N ATOM 316 CA GLY A 25 2.397 5.191 12.048 1.00 0.00 C ATOM 317 C GLY A 25 3.099 4.259 11.081 1.00 0.00 C ATOM 318 O GLY A 25 3.952 3.465 11.481 1.00 0.00 O ATOM 0 H GLY A 25 0.986 6.412 11.094 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.985 6.102 12.161 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.347 4.720 13.030 1.00 0.00 H new ATOM 322 N LEU A 26 2.740 4.351 9.806 1.00 0.00 N ATOM 323 CA LEU A 26 3.340 3.507 8.778 1.00 0.00 C ATOM 324 C LEU A 26 4.167 4.340 7.804 1.00 0.00 C ATOM 325 O LEU A 26 3.698 5.352 7.281 1.00 0.00 O ATOM 326 CB LEU A 26 2.254 2.743 8.019 1.00 0.00 C ATOM 327 CG LEU A 26 2.741 1.624 7.098 1.00 0.00 C ATOM 328 CD1 LEU A 26 3.321 0.477 7.911 1.00 0.00 C ATOM 329 CD2 LEU A 26 1.606 1.131 6.212 1.00 0.00 C ATOM 0 H LEU A 26 2.036 5.002 9.458 1.00 0.00 H new ATOM 0 HA LEU A 26 4.001 2.793 9.269 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.564 2.314 8.746 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.686 3.456 7.422 1.00 0.00 H new ATOM 0 HG LEU A 26 3.528 2.023 6.458 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.662 -0.310 7.238 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.162 0.839 8.502 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.555 0.079 8.576 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.971 0.335 5.563 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.797 0.749 6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.236 1.955 5.602 1.00 0.00 H new ATOM 341 N THR A 27 5.401 3.908 7.562 1.00 0.00 N ATOM 342 CA THR A 27 6.293 4.612 6.650 1.00 0.00 C ATOM 343 C THR A 27 6.795 3.687 5.548 1.00 0.00 C ATOM 344 O THR A 27 7.112 2.523 5.797 1.00 0.00 O ATOM 345 CB THR A 27 7.502 5.208 7.395 1.00 0.00 C ATOM 346 OG1 THR A 27 7.056 6.140 8.387 1.00 0.00 O ATOM 347 CG2 THR A 27 8.446 5.904 6.426 1.00 0.00 C ATOM 0 H THR A 27 5.805 3.073 7.986 1.00 0.00 H new ATOM 0 HA THR A 27 5.715 5.422 6.205 1.00 0.00 H new ATOM 0 HB THR A 27 8.040 4.393 7.879 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.831 6.513 8.857 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.292 6.317 6.975 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.807 5.185 5.690 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.916 6.709 5.917 1.00 0.00 H new ATOM 355 N LEU A 28 6.866 4.210 4.329 1.00 0.00 N ATOM 356 CA LEU A 28 7.332 3.430 3.188 1.00 0.00 C ATOM 357 C LEU A 28 8.744 3.843 2.786 1.00 0.00 C ATOM 358 O LEU A 28 9.045 5.029 2.665 1.00 0.00 O ATOM 359 CB LEU A 28 6.381 3.607 2.003 1.00 0.00 C ATOM 360 CG LEU A 28 5.109 2.758 2.030 1.00 0.00 C ATOM 361 CD1 LEU A 28 4.020 3.401 1.186 1.00 0.00 C ATOM 362 CD2 LEU A 28 5.400 1.346 1.544 1.00 0.00 C ATOM 0 H LEU A 28 6.607 5.171 4.105 1.00 0.00 H new ATOM 0 HA LEU A 28 7.349 2.380 3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.092 4.657 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.927 3.379 1.088 1.00 0.00 H new ATOM 0 HG LEU A 28 4.755 2.700 3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.123 2.783 1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.792 4.392 1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.363 3.490 0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.484 0.756 1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.779 1.384 0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.147 0.885 2.191 1.00 0.00 H new ATOM 374 N GLY A 29 9.608 2.853 2.578 1.00 0.00 N ATOM 375 CA GLY A 29 10.978 3.133 2.191 1.00 0.00 C ATOM 376 C GLY A 29 11.271 2.723 0.761 1.00 0.00 C ATOM 377 O GLY A 29 11.545 1.556 0.486 1.00 0.00 O ATOM 0 H GLY A 29 9.383 1.862 2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.175 4.199 2.308 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.657 2.608 2.863 1.00 0.00 H new ATOM 381 N GLY A 30 11.212 3.687 -0.153 1.00 0.00 N ATOM 382 CA GLY A 30 11.473 3.400 -1.552 1.00 0.00 C ATOM 383 C GLY A 30 10.433 4.007 -2.472 1.00 0.00 C ATOM 384 O GLY A 30 9.934 5.103 -2.220 1.00 0.00 O ATOM 0 H GLY A 30 10.988 4.661 0.050 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.458 3.782 -1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.498 2.320 -1.700 1.00 0.00 H new ATOM 388 N GLY A 31 10.106 3.293 -3.545 1.00 0.00 N ATOM 389 CA GLY A 31 9.122 3.784 -4.492 1.00 0.00 C ATOM 390 C GLY A 31 9.758 4.429 -5.707 1.00 0.00 C ATOM 391 O GLY A 31 10.938 4.215 -5.986 1.00 0.00 O ATOM 0 H GLY A 31 10.505 2.383 -3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.488 2.958 -4.813 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.475 4.508 -3.997 1.00 0.00 H new ATOM 395 N ARG A 32 8.974 5.218 -6.435 1.00 0.00 N ATOM 396 CA ARG A 32 9.467 5.893 -7.629 1.00 0.00 C ATOM 397 C ARG A 32 10.170 7.198 -7.265 1.00 0.00 C ATOM 398 O ARG A 32 9.528 8.174 -6.877 1.00 0.00 O ATOM 399 CB ARG A 32 8.314 6.175 -8.594 1.00 0.00 C ATOM 400 CG ARG A 32 8.770 6.586 -9.985 1.00 0.00 C ATOM 401 CD ARG A 32 7.595 7.001 -10.856 1.00 0.00 C ATOM 402 NE ARG A 32 7.928 6.967 -12.277 1.00 0.00 N ATOM 403 CZ ARG A 32 7.039 7.157 -13.246 1.00 0.00 C ATOM 404 NH1 ARG A 32 5.770 7.394 -12.947 1.00 0.00 N ATOM 405 NH2 ARG A 32 7.420 7.110 -14.516 1.00 0.00 N ATOM 0 H ARG A 32 7.995 5.405 -6.218 1.00 0.00 H new ATOM 0 HA ARG A 32 10.187 5.236 -8.116 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.692 5.284 -8.674 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.688 6.965 -8.178 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.477 7.412 -9.908 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.298 5.757 -10.456 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.751 6.338 -10.666 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.278 8.007 -10.582 1.00 0.00 H new ATOM 0 HE ARG A 32 8.897 6.787 -12.541 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.474 7.431 -11.972 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.089 7.540 -13.692 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.396 6.928 -14.749 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.737 7.256 -15.259 1.00 0.00 H new ATOM 419 N ASP A 33 11.493 7.206 -7.393 1.00 0.00 N ATOM 420 CA ASP A 33 12.284 8.390 -7.078 1.00 0.00 C ATOM 421 C ASP A 33 12.790 9.059 -8.352 1.00 0.00 C ATOM 422 O ASP A 33 12.831 8.442 -9.416 1.00 0.00 O ATOM 423 CB ASP A 33 13.464 8.017 -6.179 1.00 0.00 C ATOM 424 CG ASP A 33 13.019 7.494 -4.828 1.00 0.00 C ATOM 425 OD1 ASP A 33 11.889 6.970 -4.736 1.00 0.00 O ATOM 426 OD2 ASP A 33 13.801 7.609 -3.861 1.00 0.00 O ATOM 0 H ASP A 33 12.040 6.406 -7.713 1.00 0.00 H new ATOM 0 HA ASP A 33 11.643 9.095 -6.548 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.071 7.261 -6.676 1.00 0.00 H new ATOM 0 HB3 ASP A 33 14.099 8.892 -6.036 1.00 0.00 H new ATOM 431 N VAL A 34 13.175 10.326 -8.236 1.00 0.00 N ATOM 432 CA VAL A 34 13.679 11.080 -9.378 1.00 0.00 C ATOM 433 C VAL A 34 15.035 10.550 -9.831 1.00 0.00 C ATOM 434 O VAL A 34 15.385 10.638 -11.007 1.00 0.00 O ATOM 435 CB VAL A 34 13.809 12.579 -9.048 1.00 0.00 C ATOM 436 CG1 VAL A 34 14.352 13.344 -10.245 1.00 0.00 C ATOM 437 CG2 VAL A 34 12.469 13.145 -8.606 1.00 0.00 C ATOM 0 H VAL A 34 13.148 10.852 -7.363 1.00 0.00 H new ATOM 0 HA VAL A 34 12.956 10.955 -10.184 1.00 0.00 H new ATOM 0 HB VAL A 34 14.514 12.692 -8.225 1.00 0.00 H new ATOM 0 HG11 VAL A 34 14.437 14.401 -9.993 1.00 0.00 H new ATOM 0 HG12 VAL A 34 15.335 12.954 -10.511 1.00 0.00 H new ATOM 0 HG13 VAL A 34 13.674 13.226 -11.090 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.579 14.205 -8.377 1.00 0.00 H new ATOM 0 HG22 VAL A 34 11.740 13.021 -9.407 1.00 0.00 H new ATOM 0 HG23 VAL A 34 12.126 12.616 -7.717 1.00 0.00 H new ATOM 447 N ALA A 35 15.794 10.000 -8.889 1.00 0.00 N ATOM 448 CA ALA A 35 17.111 9.454 -9.191 1.00 0.00 C ATOM 449 C ALA A 35 17.020 7.979 -9.568 1.00 0.00 C ATOM 450 O ALA A 35 17.843 7.471 -10.327 1.00 0.00 O ATOM 451 CB ALA A 35 18.045 9.641 -8.004 1.00 0.00 C ATOM 0 H ALA A 35 15.519 9.921 -7.910 1.00 0.00 H new ATOM 0 HA ALA A 35 17.515 9.996 -10.046 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.025 9.229 -8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 35 18.143 10.704 -7.782 1.00 0.00 H new ATOM 0 HB3 ALA A 35 17.637 9.125 -7.135 1.00 0.00 H new ATOM 457 N GLY A 36 16.013 7.297 -9.031 1.00 0.00 N ATOM 458 CA GLY A 36 15.834 5.886 -9.323 1.00 0.00 C ATOM 459 C GLY A 36 14.431 5.403 -9.012 1.00 0.00 C ATOM 460 O GLY A 36 13.550 6.200 -8.688 1.00 0.00 O ATOM 0 H GLY A 36 15.318 7.696 -8.399 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.052 5.705 -10.376 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.552 5.304 -8.744 1.00 0.00 H new ATOM 464 N ASP A 37 14.222 4.095 -9.110 1.00 0.00 N ATOM 465 CA ASP A 37 12.916 3.507 -8.838 1.00 0.00 C ATOM 466 C ASP A 37 13.052 2.261 -7.967 1.00 0.00 C ATOM 467 O ASP A 37 14.073 1.573 -8.003 1.00 0.00 O ATOM 468 CB ASP A 37 12.208 3.154 -10.147 1.00 0.00 C ATOM 469 CG ASP A 37 10.932 2.368 -9.921 1.00 0.00 C ATOM 470 OD1 ASP A 37 9.904 2.990 -9.582 1.00 0.00 O ATOM 471 OD2 ASP A 37 10.961 1.130 -10.084 1.00 0.00 O ATOM 0 H ASP A 37 14.940 3.422 -9.376 1.00 0.00 H new ATOM 0 HA ASP A 37 12.319 4.243 -8.299 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.976 4.070 -10.690 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.882 2.573 -10.776 1.00 0.00 H new ATOM 476 N THR A 38 12.016 1.977 -7.184 1.00 0.00 N ATOM 477 CA THR A 38 12.020 0.816 -6.302 1.00 0.00 C ATOM 478 C THR A 38 10.607 0.457 -5.859 1.00 0.00 C ATOM 479 O THR A 38 9.727 1.312 -5.754 1.00 0.00 O ATOM 480 CB THR A 38 12.890 1.062 -5.055 1.00 0.00 C ATOM 481 OG1 THR A 38 12.600 2.350 -4.500 1.00 0.00 O ATOM 482 CG2 THR A 38 14.369 0.975 -5.401 1.00 0.00 C ATOM 0 H THR A 38 11.163 2.535 -7.143 1.00 0.00 H new ATOM 0 HA THR A 38 12.440 -0.013 -6.872 1.00 0.00 H new ATOM 0 HB THR A 38 12.658 0.290 -4.321 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.034 2.854 -5.121 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.963 1.152 -4.505 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.593 -0.016 -5.795 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.612 1.727 -6.152 1.00 0.00 H new ATOM 490 N PRO A 39 10.381 -0.838 -5.592 1.00 0.00 N ATOM 491 CA PRO A 39 9.075 -1.339 -5.154 1.00 0.00 C ATOM 492 C PRO A 39 8.723 -0.885 -3.742 1.00 0.00 C ATOM 493 O PRO A 39 9.389 -1.257 -2.775 1.00 0.00 O ATOM 494 CB PRO A 39 9.245 -2.860 -5.200 1.00 0.00 C ATOM 495 CG PRO A 39 10.709 -3.082 -5.034 1.00 0.00 C ATOM 496 CD PRO A 39 11.383 -1.912 -5.695 1.00 0.00 C ATOM 0 HA PRO A 39 8.265 -0.967 -5.782 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.678 -3.346 -4.406 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.887 -3.270 -6.144 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.977 -3.142 -3.979 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.016 -4.021 -5.495 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.311 -1.645 -5.190 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.636 -2.128 -6.733 1.00 0.00 H new ATOM 504 N LEU A 40 7.672 -0.080 -3.629 1.00 0.00 N ATOM 505 CA LEU A 40 7.231 0.425 -2.334 1.00 0.00 C ATOM 506 C LEU A 40 6.988 -0.721 -1.357 1.00 0.00 C ATOM 507 O LEU A 40 6.242 -1.654 -1.652 1.00 0.00 O ATOM 508 CB LEU A 40 5.954 1.252 -2.495 1.00 0.00 C ATOM 509 CG LEU A 40 6.151 2.734 -2.818 1.00 0.00 C ATOM 510 CD1 LEU A 40 4.864 3.338 -3.358 1.00 0.00 C ATOM 511 CD2 LEU A 40 6.620 3.491 -1.584 1.00 0.00 C ATOM 0 H LEU A 40 7.110 0.237 -4.419 1.00 0.00 H new ATOM 0 HA LEU A 40 8.020 1.060 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.353 0.805 -3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.376 1.175 -1.574 1.00 0.00 H new ATOM 0 HG LEU A 40 6.919 2.820 -3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.023 4.393 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.570 2.814 -4.267 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.075 3.241 -2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.755 4.544 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.874 3.397 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.567 3.075 -1.240 1.00 0.00 H new ATOM 523 N ALA A 41 7.622 -0.642 -0.191 1.00 0.00 N ATOM 524 CA ALA A 41 7.471 -1.670 0.831 1.00 0.00 C ATOM 525 C ALA A 41 7.588 -1.074 2.230 1.00 0.00 C ATOM 526 O ALA A 41 8.331 -0.118 2.449 1.00 0.00 O ATOM 527 CB ALA A 41 8.508 -2.766 0.634 1.00 0.00 C ATOM 0 H ALA A 41 8.245 0.123 0.069 1.00 0.00 H new ATOM 0 HA ALA A 41 6.476 -2.104 0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.384 -3.527 1.404 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.376 -3.219 -0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.508 -2.338 0.705 1.00 0.00 H new ATOM 533 N VAL A 42 6.848 -1.645 3.175 1.00 0.00 N ATOM 534 CA VAL A 42 6.868 -1.171 4.554 1.00 0.00 C ATOM 535 C VAL A 42 8.298 -0.975 5.046 1.00 0.00 C ATOM 536 O VAL A 42 9.098 -1.910 5.047 1.00 0.00 O ATOM 537 CB VAL A 42 6.142 -2.149 5.495 1.00 0.00 C ATOM 538 CG1 VAL A 42 6.349 -1.746 6.947 1.00 0.00 C ATOM 539 CG2 VAL A 42 4.660 -2.213 5.157 1.00 0.00 C ATOM 0 H VAL A 42 6.227 -2.437 3.011 1.00 0.00 H new ATOM 0 HA VAL A 42 6.347 -0.213 4.567 1.00 0.00 H new ATOM 0 HB VAL A 42 6.566 -3.143 5.355 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.828 -2.449 7.597 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.414 -1.757 7.179 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.953 -0.743 7.106 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.163 -2.909 5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.219 -1.223 5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.536 -2.553 4.129 1.00 0.00 H new ATOM 549 N ARG A 43 8.612 0.246 5.465 1.00 0.00 N ATOM 550 CA ARG A 43 9.946 0.565 5.960 1.00 0.00 C ATOM 551 C ARG A 43 9.993 0.488 7.483 1.00 0.00 C ATOM 552 O ARG A 43 10.654 -0.381 8.050 1.00 0.00 O ATOM 553 CB ARG A 43 10.364 1.962 5.496 1.00 0.00 C ATOM 554 CG ARG A 43 11.645 2.461 6.146 1.00 0.00 C ATOM 555 CD ARG A 43 12.672 1.348 6.279 1.00 0.00 C ATOM 556 NE ARG A 43 14.024 1.870 6.461 1.00 0.00 N ATOM 557 CZ ARG A 43 15.073 1.109 6.751 1.00 0.00 C ATOM 558 NH1 ARG A 43 14.927 -0.202 6.891 1.00 0.00 N ATOM 559 NH2 ARG A 43 16.272 1.658 6.901 1.00 0.00 N ATOM 0 H ARG A 43 7.961 1.031 5.472 1.00 0.00 H new ATOM 0 HA ARG A 43 10.642 -0.169 5.555 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.495 1.952 4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.559 2.664 5.713 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.063 3.274 5.552 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.419 2.869 7.131 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.411 0.713 7.126 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.643 0.719 5.389 1.00 0.00 H new ATOM 0 HE ARG A 43 14.170 2.874 6.360 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.007 -0.628 6.776 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.734 -0.784 7.114 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.389 2.666 6.794 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.077 1.072 7.124 1.00 0.00 H new ATOM 573 N GLY A 44 9.288 1.404 8.140 1.00 0.00 N ATOM 574 CA GLY A 44 9.265 1.423 9.591 1.00 0.00 C ATOM 575 C GLY A 44 7.868 1.237 10.150 1.00 0.00 C ATOM 576 O GLY A 44 6.879 1.564 9.492 1.00 0.00 O ATOM 0 H GLY A 44 8.732 2.133 7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.914 0.634 9.972 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.672 2.370 9.946 1.00 0.00 H new ATOM 580 N LEU A 45 7.785 0.710 11.366 1.00 0.00 N ATOM 581 CA LEU A 45 6.498 0.480 12.014 1.00 0.00 C ATOM 582 C LEU A 45 6.433 1.188 13.363 1.00 0.00 C ATOM 583 O LEU A 45 7.014 0.727 14.347 1.00 0.00 O ATOM 584 CB LEU A 45 6.260 -1.020 12.200 1.00 0.00 C ATOM 585 CG LEU A 45 5.546 -1.734 11.052 1.00 0.00 C ATOM 586 CD1 LEU A 45 5.552 -3.238 11.273 1.00 0.00 C ATOM 587 CD2 LEU A 45 4.121 -1.220 10.907 1.00 0.00 C ATOM 0 H LEU A 45 8.593 0.434 11.924 1.00 0.00 H new ATOM 0 HA LEU A 45 5.718 0.889 11.372 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.224 -1.504 12.358 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.677 -1.165 13.110 1.00 0.00 H new ATOM 0 HG LEU A 45 6.083 -1.521 10.128 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.039 -3.729 10.446 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.581 -3.594 11.325 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.040 -3.471 12.207 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.629 -1.740 10.085 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.573 -1.402 11.831 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.139 -0.150 10.700 1.00 0.00 H new ATOM 599 N LEU A 46 5.722 2.309 13.404 1.00 0.00 N ATOM 600 CA LEU A 46 5.578 3.080 14.633 1.00 0.00 C ATOM 601 C LEU A 46 5.287 2.166 15.819 1.00 0.00 C ATOM 602 O LEU A 46 4.228 1.542 15.890 1.00 0.00 O ATOM 603 CB LEU A 46 4.459 4.113 14.483 1.00 0.00 C ATOM 604 CG LEU A 46 4.580 5.364 15.354 1.00 0.00 C ATOM 605 CD1 LEU A 46 3.853 6.534 14.710 1.00 0.00 C ATOM 606 CD2 LEU A 46 4.035 5.098 16.749 1.00 0.00 C ATOM 0 H LEU A 46 5.236 2.704 12.599 1.00 0.00 H new ATOM 0 HA LEU A 46 6.519 3.598 14.820 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.416 4.424 13.439 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.510 3.627 14.710 1.00 0.00 H new ATOM 0 HG LEU A 46 5.635 5.622 15.442 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.950 7.416 15.344 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.289 6.740 13.733 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.798 6.286 14.592 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.129 5.999 17.355 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.985 4.815 16.681 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.600 4.289 17.212 1.00 0.00 H new ATOM 618 N LYS A 47 6.232 2.094 16.750 1.00 0.00 N ATOM 619 CA LYS A 47 6.076 1.259 17.935 1.00 0.00 C ATOM 620 C LYS A 47 4.746 1.540 18.628 1.00 0.00 C ATOM 621 O LYS A 47 4.367 2.695 18.818 1.00 0.00 O ATOM 622 CB LYS A 47 7.231 1.501 18.910 1.00 0.00 C ATOM 623 CG LYS A 47 6.982 0.941 20.299 1.00 0.00 C ATOM 624 CD LYS A 47 6.993 -0.578 20.299 1.00 0.00 C ATOM 625 CE LYS A 47 6.387 -1.141 21.576 1.00 0.00 C ATOM 626 NZ LYS A 47 6.019 -2.576 21.430 1.00 0.00 N ATOM 0 H LYS A 47 7.114 2.604 16.707 1.00 0.00 H new ATOM 0 HA LYS A 47 6.088 0.216 17.618 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.138 1.053 18.504 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.412 2.573 18.987 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.745 1.311 20.983 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.021 1.299 20.669 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.436 -0.947 19.438 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.017 -0.935 20.193 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.098 -1.030 22.395 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.501 -0.564 21.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.610 -2.922 22.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.321 -2.679 20.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.868 -3.131 21.201 1.00 0.00 H new ATOM 640 N ASP A 48 4.044 0.476 19.003 1.00 0.00 N ATOM 641 CA ASP A 48 2.757 0.609 19.677 1.00 0.00 C ATOM 642 C ASP A 48 1.721 1.236 18.750 1.00 0.00 C ATOM 643 O ASP A 48 0.924 2.074 19.170 1.00 0.00 O ATOM 644 CB ASP A 48 2.905 1.453 20.943 1.00 0.00 C ATOM 645 CG ASP A 48 1.762 1.243 21.916 1.00 0.00 C ATOM 646 OD1 ASP A 48 1.439 0.072 22.208 1.00 0.00 O ATOM 647 OD2 ASP A 48 1.192 2.249 22.388 1.00 0.00 O ATOM 0 H ASP A 48 4.344 -0.487 18.852 1.00 0.00 H new ATOM 0 HA ASP A 48 2.414 -0.388 19.953 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.846 1.205 21.434 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.956 2.507 20.670 1.00 0.00 H new ATOM 652 N GLY A 49 1.738 0.824 17.486 1.00 0.00 N ATOM 653 CA GLY A 49 0.796 1.357 16.519 1.00 0.00 C ATOM 654 C GLY A 49 -0.209 0.320 16.057 1.00 0.00 C ATOM 655 O GLY A 49 -0.103 -0.864 16.377 1.00 0.00 O ATOM 0 H GLY A 49 2.387 0.131 17.114 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.266 2.201 16.960 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.342 1.739 15.656 1.00 0.00 H new ATOM 659 N PRO A 50 -1.212 0.765 15.286 1.00 0.00 N ATOM 660 CA PRO A 50 -2.260 -0.116 14.763 1.00 0.00 C ATOM 661 C PRO A 50 -1.735 -1.072 13.697 1.00 0.00 C ATOM 662 O PRO A 50 -2.157 -2.225 13.622 1.00 0.00 O ATOM 663 CB PRO A 50 -3.273 0.858 14.156 1.00 0.00 C ATOM 664 CG PRO A 50 -2.477 2.071 13.819 1.00 0.00 C ATOM 665 CD PRO A 50 -1.401 2.164 14.866 1.00 0.00 C ATOM 0 HA PRO A 50 -2.678 -0.757 15.539 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.746 0.436 13.269 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.070 1.091 14.862 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.045 1.990 12.822 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.104 2.963 13.823 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.483 2.590 14.462 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.705 2.796 15.700 1.00 0.00 H new ATOM 673 N ALA A 51 -0.812 -0.584 12.875 1.00 0.00 N ATOM 674 CA ALA A 51 -0.228 -1.396 11.815 1.00 0.00 C ATOM 675 C ALA A 51 0.764 -2.407 12.381 1.00 0.00 C ATOM 676 O ALA A 51 0.838 -3.544 11.915 1.00 0.00 O ATOM 677 CB ALA A 51 0.452 -0.508 10.784 1.00 0.00 C ATOM 0 H ALA A 51 -0.453 0.369 12.923 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.033 -1.948 11.329 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.884 -1.128 9.998 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.281 0.171 10.349 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.241 0.070 11.265 1.00 0.00 H new ATOM 683 N GLN A 52 1.524 -1.985 13.386 1.00 0.00 N ATOM 684 CA GLN A 52 2.512 -2.854 14.014 1.00 0.00 C ATOM 685 C GLN A 52 1.833 -3.947 14.833 1.00 0.00 C ATOM 686 O GLN A 52 2.176 -5.124 14.719 1.00 0.00 O ATOM 687 CB GLN A 52 3.446 -2.037 14.908 1.00 0.00 C ATOM 688 CG GLN A 52 4.337 -2.890 15.797 1.00 0.00 C ATOM 689 CD GLN A 52 5.407 -2.078 16.501 1.00 0.00 C ATOM 690 OE1 GLN A 52 5.354 -1.881 17.715 1.00 0.00 O ATOM 691 NE2 GLN A 52 6.386 -1.603 15.741 1.00 0.00 N ATOM 0 H GLN A 52 1.475 -1.047 13.783 1.00 0.00 H new ATOM 0 HA GLN A 52 3.097 -3.326 13.225 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.073 -1.403 14.281 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.849 -1.375 15.535 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.723 -3.397 16.541 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.811 -3.664 15.194 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.390 -1.791 14.738 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.134 -1.050 16.160 1.00 0.00 H new ATOM 700 N ARG A 53 0.870 -3.550 15.658 1.00 0.00 N ATOM 701 CA ARG A 53 0.144 -4.497 16.497 1.00 0.00 C ATOM 702 C ARG A 53 -0.608 -5.513 15.644 1.00 0.00 C ATOM 703 O ARG A 53 -0.584 -6.713 15.923 1.00 0.00 O ATOM 704 CB ARG A 53 -0.835 -3.755 17.409 1.00 0.00 C ATOM 705 CG ARG A 53 -0.167 -3.064 18.586 1.00 0.00 C ATOM 706 CD ARG A 53 -1.186 -2.366 19.473 1.00 0.00 C ATOM 707 NE ARG A 53 -1.733 -3.262 20.488 1.00 0.00 N ATOM 708 CZ ARG A 53 -2.782 -4.051 20.282 1.00 0.00 C ATOM 709 NH1 ARG A 53 -3.392 -4.056 19.105 1.00 0.00 N ATOM 710 NH2 ARG A 53 -3.221 -4.839 21.255 1.00 0.00 N ATOM 0 H ARG A 53 0.574 -2.580 15.764 1.00 0.00 H new ATOM 0 HA ARG A 53 0.869 -5.031 17.111 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.374 -3.012 16.821 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.574 -4.462 17.786 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.387 -3.797 19.173 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.557 -2.336 18.219 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.717 -1.510 19.959 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.997 -1.978 18.857 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.286 -3.283 21.404 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.056 -3.453 18.354 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.197 -4.663 18.950 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.753 -4.839 22.161 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.026 -5.445 21.097 1.00 0.00 H new ATOM 724 N CYS A 54 -1.276 -5.027 14.604 1.00 0.00 N ATOM 725 CA CYS A 54 -2.037 -5.893 13.710 1.00 0.00 C ATOM 726 C CYS A 54 -1.145 -6.976 13.113 1.00 0.00 C ATOM 727 O CYS A 54 -1.576 -8.113 12.922 1.00 0.00 O ATOM 728 CB CYS A 54 -2.678 -5.070 12.592 1.00 0.00 C ATOM 729 SG CYS A 54 -4.307 -4.402 13.008 1.00 0.00 S ATOM 0 H CYS A 54 -1.306 -4.037 14.359 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.822 -6.375 14.293 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.013 -4.245 12.336 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.769 -5.694 11.703 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.175 -3.197 13.478 1.00 0.00 H new ATOM 735 N GLY A 55 0.100 -6.616 12.820 1.00 0.00 N ATOM 736 CA GLY A 55 1.033 -7.568 12.246 1.00 0.00 C ATOM 737 C GLY A 55 0.842 -7.737 10.752 1.00 0.00 C ATOM 738 O GLY A 55 1.813 -7.850 10.004 1.00 0.00 O ATOM 0 H GLY A 55 0.480 -5.681 12.970 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.053 -7.237 12.444 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.910 -8.534 12.737 1.00 0.00 H new ATOM 742 N ARG A 56 -0.413 -7.758 10.316 1.00 0.00 N ATOM 743 CA ARG A 56 -0.728 -7.918 8.901 1.00 0.00 C ATOM 744 C ARG A 56 0.283 -7.177 8.031 1.00 0.00 C ATOM 745 O ARG A 56 0.712 -7.681 6.992 1.00 0.00 O ATOM 746 CB ARG A 56 -2.140 -7.405 8.610 1.00 0.00 C ATOM 747 CG ARG A 56 -3.238 -8.269 9.210 1.00 0.00 C ATOM 748 CD ARG A 56 -4.535 -7.491 9.367 1.00 0.00 C ATOM 749 NE ARG A 56 -5.297 -7.439 8.123 1.00 0.00 N ATOM 750 CZ ARG A 56 -5.887 -8.497 7.578 1.00 0.00 C ATOM 751 NH1 ARG A 56 -5.804 -9.683 8.165 1.00 0.00 N ATOM 752 NH2 ARG A 56 -6.563 -8.371 6.443 1.00 0.00 N ATOM 0 H ARG A 56 -1.228 -7.666 10.922 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.678 -8.980 8.661 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.236 -6.390 8.997 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.282 -7.349 7.531 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.408 -9.137 8.574 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.917 -8.644 10.182 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.143 -7.953 10.145 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.311 -6.477 9.698 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.381 -6.541 7.646 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.286 -9.785 9.038 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.258 -10.493 7.744 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.630 -7.461 5.988 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.015 -9.184 6.026 1.00 0.00 H new ATOM 766 N LEU A 57 0.660 -5.978 8.463 1.00 0.00 N ATOM 767 CA LEU A 57 1.621 -5.167 7.724 1.00 0.00 C ATOM 768 C LEU A 57 2.980 -5.166 8.417 1.00 0.00 C ATOM 769 O LEU A 57 3.112 -4.686 9.542 1.00 0.00 O ATOM 770 CB LEU A 57 1.106 -3.733 7.583 1.00 0.00 C ATOM 771 CG LEU A 57 0.053 -3.502 6.499 1.00 0.00 C ATOM 772 CD1 LEU A 57 -0.502 -2.089 6.588 1.00 0.00 C ATOM 773 CD2 LEU A 57 0.643 -3.759 5.119 1.00 0.00 C ATOM 0 H LEU A 57 0.315 -5.547 9.320 1.00 0.00 H new ATOM 0 HA LEU A 57 1.740 -5.603 6.732 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.687 -3.423 8.540 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.956 -3.081 7.381 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.766 -4.203 6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.250 -1.942 5.809 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.961 -1.939 7.565 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.307 -1.371 6.454 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.120 -3.590 4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.480 -3.082 4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.992 -4.790 5.059 1.00 0.00 H new ATOM 785 N GLU A 58 3.986 -5.705 7.735 1.00 0.00 N ATOM 786 CA GLU A 58 5.335 -5.764 8.286 1.00 0.00 C ATOM 787 C GLU A 58 6.369 -5.361 7.239 1.00 0.00 C ATOM 788 O GLU A 58 6.109 -5.426 6.037 1.00 0.00 O ATOM 789 CB GLU A 58 5.638 -7.173 8.801 1.00 0.00 C ATOM 790 CG GLU A 58 5.089 -7.443 10.192 1.00 0.00 C ATOM 791 CD GLU A 58 4.858 -8.920 10.451 1.00 0.00 C ATOM 792 OE1 GLU A 58 4.378 -9.614 9.531 1.00 0.00 O ATOM 793 OE2 GLU A 58 5.157 -9.380 11.572 1.00 0.00 O ATOM 0 H GLU A 58 3.893 -6.106 6.802 1.00 0.00 H new ATOM 0 HA GLU A 58 5.391 -5.061 9.117 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.220 -7.902 8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.718 -7.323 8.810 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.784 -7.052 10.935 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.150 -6.904 10.319 1.00 0.00 H new ATOM 800 N VAL A 59 7.542 -4.943 7.703 1.00 0.00 N ATOM 801 CA VAL A 59 8.616 -4.529 6.808 1.00 0.00 C ATOM 802 C VAL A 59 8.977 -5.643 5.832 1.00 0.00 C ATOM 803 O VAL A 59 9.327 -6.750 6.238 1.00 0.00 O ATOM 804 CB VAL A 59 9.876 -4.121 7.594 1.00 0.00 C ATOM 805 CG1 VAL A 59 11.004 -3.754 6.642 1.00 0.00 C ATOM 806 CG2 VAL A 59 9.566 -2.968 8.536 1.00 0.00 C ATOM 0 H VAL A 59 7.773 -4.882 8.695 1.00 0.00 H new ATOM 0 HA VAL A 59 8.250 -3.666 6.251 1.00 0.00 H new ATOM 0 HB VAL A 59 10.201 -4.972 8.193 1.00 0.00 H new ATOM 0 HG11 VAL A 59 11.886 -3.468 7.216 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.242 -4.611 6.013 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.693 -2.919 6.015 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.468 -2.693 9.083 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.216 -2.112 7.960 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.792 -3.272 9.241 1.00 0.00 H new ATOM 816 N GLY A 60 8.890 -5.341 4.540 1.00 0.00 N ATOM 817 CA GLY A 60 9.212 -6.327 3.524 1.00 0.00 C ATOM 818 C GLY A 60 8.050 -6.594 2.588 1.00 0.00 C ATOM 819 O GLY A 60 8.235 -7.139 1.499 1.00 0.00 O ATOM 0 H GLY A 60 8.602 -4.432 4.179 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.069 -5.982 2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.508 -7.259 4.007 1.00 0.00 H new ATOM 823 N ASP A 61 6.851 -6.213 3.012 1.00 0.00 N ATOM 824 CA ASP A 61 5.654 -6.416 2.203 1.00 0.00 C ATOM 825 C ASP A 61 5.770 -5.686 0.869 1.00 0.00 C ATOM 826 O ASP A 61 6.640 -4.832 0.689 1.00 0.00 O ATOM 827 CB ASP A 61 4.415 -5.931 2.958 1.00 0.00 C ATOM 828 CG ASP A 61 4.278 -4.421 2.936 1.00 0.00 C ATOM 829 OD1 ASP A 61 5.197 -3.749 2.423 1.00 0.00 O ATOM 830 OD2 ASP A 61 3.251 -3.912 3.432 1.00 0.00 O ATOM 0 H ASP A 61 6.681 -5.762 3.911 1.00 0.00 H new ATOM 0 HA ASP A 61 5.555 -7.483 2.005 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.525 -6.380 2.517 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.466 -6.273 3.992 1.00 0.00 H new ATOM 835 N LEU A 62 4.889 -6.028 -0.065 1.00 0.00 N ATOM 836 CA LEU A 62 4.893 -5.406 -1.385 1.00 0.00 C ATOM 837 C LEU A 62 3.565 -4.708 -1.661 1.00 0.00 C ATOM 838 O LEU A 62 2.517 -5.350 -1.734 1.00 0.00 O ATOM 839 CB LEU A 62 5.165 -6.456 -2.464 1.00 0.00 C ATOM 840 CG LEU A 62 6.398 -7.333 -2.251 1.00 0.00 C ATOM 841 CD1 LEU A 62 6.470 -8.421 -3.312 1.00 0.00 C ATOM 842 CD2 LEU A 62 7.663 -6.487 -2.266 1.00 0.00 C ATOM 0 H LEU A 62 4.163 -6.732 0.067 1.00 0.00 H new ATOM 0 HA LEU A 62 5.686 -4.659 -1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.292 -7.104 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.268 -5.946 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 62 6.315 -7.811 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.355 -9.035 -3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.578 -9.045 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.529 -7.963 -4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.531 -7.128 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.751 -5.981 -3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.614 -5.746 -1.469 1.00 0.00 H new ATOM 854 N VAL A 63 3.617 -3.389 -1.817 1.00 0.00 N ATOM 855 CA VAL A 63 2.420 -2.603 -2.090 1.00 0.00 C ATOM 856 C VAL A 63 2.135 -2.536 -3.586 1.00 0.00 C ATOM 857 O VAL A 63 2.959 -2.054 -4.365 1.00 0.00 O ATOM 858 CB VAL A 63 2.551 -1.171 -1.538 1.00 0.00 C ATOM 859 CG1 VAL A 63 1.208 -0.457 -1.580 1.00 0.00 C ATOM 860 CG2 VAL A 63 3.107 -1.194 -0.123 1.00 0.00 C ATOM 0 H VAL A 63 4.476 -2.842 -1.759 1.00 0.00 H new ATOM 0 HA VAL A 63 1.592 -3.103 -1.588 1.00 0.00 H new ATOM 0 HB VAL A 63 3.248 -0.620 -2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.320 0.553 -1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.854 -0.408 -2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.486 -1.004 -0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.193 -0.174 0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.437 -1.762 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.091 -1.663 -0.126 1.00 0.00 H new ATOM 870 N LEU A 64 0.964 -3.021 -3.982 1.00 0.00 N ATOM 871 CA LEU A 64 0.569 -3.015 -5.386 1.00 0.00 C ATOM 872 C LEU A 64 -0.408 -1.879 -5.673 1.00 0.00 C ATOM 873 O LEU A 64 -0.380 -1.279 -6.748 1.00 0.00 O ATOM 874 CB LEU A 64 -0.066 -4.355 -5.763 1.00 0.00 C ATOM 875 CG LEU A 64 0.826 -5.588 -5.607 1.00 0.00 C ATOM 876 CD1 LEU A 64 -0.019 -6.836 -5.407 1.00 0.00 C ATOM 877 CD2 LEU A 64 1.734 -5.745 -6.818 1.00 0.00 C ATOM 0 H LEU A 64 0.271 -3.423 -3.351 1.00 0.00 H new ATOM 0 HA LEU A 64 1.464 -2.861 -5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.958 -4.497 -5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.396 -4.299 -6.800 1.00 0.00 H new ATOM 0 HG LEU A 64 1.451 -5.452 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.633 -7.703 -5.298 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.627 -6.724 -4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.669 -6.977 -6.270 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.362 -6.627 -6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.127 -5.859 -7.716 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.365 -4.862 -6.917 1.00 0.00 H new ATOM 889 N HIS A 65 -1.269 -1.587 -4.704 1.00 0.00 N ATOM 890 CA HIS A 65 -2.253 -0.520 -4.851 1.00 0.00 C ATOM 891 C HIS A 65 -2.616 0.075 -3.494 1.00 0.00 C ATOM 892 O HIS A 65 -2.322 -0.509 -2.451 1.00 0.00 O ATOM 893 CB HIS A 65 -3.510 -1.049 -5.542 1.00 0.00 C ATOM 894 CG HIS A 65 -3.250 -1.622 -6.901 1.00 0.00 C ATOM 895 ND1 HIS A 65 -2.587 -0.933 -7.895 1.00 0.00 N ATOM 896 CD2 HIS A 65 -3.567 -2.828 -7.429 1.00 0.00 C ATOM 897 CE1 HIS A 65 -2.509 -1.689 -8.975 1.00 0.00 C ATOM 898 NE2 HIS A 65 -3.095 -2.845 -8.718 1.00 0.00 N ATOM 0 H HIS A 65 -1.306 -2.074 -3.808 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.813 0.265 -5.466 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.964 -1.816 -4.914 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.234 -0.239 -5.631 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.093 -3.628 -6.929 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.045 -1.410 -9.909 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -3.182 -3.624 -9.371 1.00 0.00 H new ATOM 907 N ILE A 66 -3.256 1.239 -3.516 1.00 0.00 N ATOM 908 CA ILE A 66 -3.660 1.912 -2.287 1.00 0.00 C ATOM 909 C ILE A 66 -5.040 2.544 -2.434 1.00 0.00 C ATOM 910 O ILE A 66 -5.305 3.263 -3.396 1.00 0.00 O ATOM 911 CB ILE A 66 -2.649 3.002 -1.885 1.00 0.00 C ATOM 912 CG1 ILE A 66 -1.257 2.394 -1.701 1.00 0.00 C ATOM 913 CG2 ILE A 66 -3.101 3.698 -0.610 1.00 0.00 C ATOM 914 CD1 ILE A 66 -0.161 3.427 -1.554 1.00 0.00 C ATOM 0 H ILE A 66 -3.506 1.736 -4.371 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.693 1.152 -1.507 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.599 3.743 -2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.263 1.754 -0.819 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.032 1.756 -2.556 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.377 4.466 -0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.075 4.159 -0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.176 2.968 0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.798 2.925 -1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.128 4.052 -2.446 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.362 4.050 -0.682 1.00 0.00 H new ATOM 926 N ASN A 67 -5.915 2.271 -1.472 1.00 0.00 N ATOM 927 CA ASN A 67 -7.268 2.813 -1.493 1.00 0.00 C ATOM 928 C ASN A 67 -7.928 2.576 -2.848 1.00 0.00 C ATOM 929 O ASN A 67 -8.815 3.324 -3.258 1.00 0.00 O ATOM 930 CB ASN A 67 -7.244 4.311 -1.180 1.00 0.00 C ATOM 931 CG ASN A 67 -6.996 4.590 0.290 1.00 0.00 C ATOM 932 OD1 ASN A 67 -5.757 4.927 0.627 1.00 0.00 O flip ATOM 933 ND2 ASN A 67 -7.909 4.505 1.112 1.00 0.00 N flip ATOM 0 H ASN A 67 -5.711 1.677 -0.668 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.851 2.298 -0.730 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.467 4.791 -1.774 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.193 4.757 -1.477 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.846 4.243 0.808 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.728 4.697 2.097 1.00 0.00 H new ATOM 940 N GLY A 68 -7.489 1.529 -3.539 1.00 0.00 N ATOM 941 CA GLY A 68 -8.048 1.211 -4.840 1.00 0.00 C ATOM 942 C GLY A 68 -7.495 2.096 -5.941 1.00 0.00 C ATOM 943 O GLY A 68 -8.197 2.414 -6.900 1.00 0.00 O ATOM 0 H GLY A 68 -6.756 0.895 -3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.839 0.168 -5.077 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.132 1.318 -4.802 1.00 0.00 H new ATOM 947 N GLU A 69 -6.235 2.494 -5.800 1.00 0.00 N ATOM 948 CA GLU A 69 -5.590 3.350 -6.790 1.00 0.00 C ATOM 949 C GLU A 69 -4.386 2.649 -7.412 1.00 0.00 C ATOM 950 O GLU A 69 -3.951 1.599 -6.939 1.00 0.00 O ATOM 951 CB GLU A 69 -5.153 4.668 -6.149 1.00 0.00 C ATOM 952 CG GLU A 69 -6.298 5.637 -5.906 1.00 0.00 C ATOM 953 CD GLU A 69 -5.843 7.082 -5.870 1.00 0.00 C ATOM 954 OE1 GLU A 69 -4.642 7.320 -5.623 1.00 0.00 O ATOM 955 OE2 GLU A 69 -6.687 7.976 -6.088 1.00 0.00 O ATOM 0 H GLU A 69 -5.641 2.238 -5.011 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.313 3.561 -7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.661 4.455 -5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.413 5.147 -6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.045 5.515 -6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.784 5.390 -4.962 1.00 0.00 H new ATOM 962 N SER A 70 -3.851 3.239 -8.477 1.00 0.00 N ATOM 963 CA SER A 70 -2.700 2.670 -9.168 1.00 0.00 C ATOM 964 C SER A 70 -1.420 3.412 -8.792 1.00 0.00 C ATOM 965 O SER A 70 -1.201 4.549 -9.211 1.00 0.00 O ATOM 966 CB SER A 70 -2.908 2.725 -10.682 1.00 0.00 C ATOM 967 OG SER A 70 -3.046 4.062 -11.130 1.00 0.00 O ATOM 0 H SER A 70 -4.196 4.110 -8.879 1.00 0.00 H new ATOM 0 HA SER A 70 -2.601 1.629 -8.860 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.063 2.255 -11.185 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.797 2.155 -10.951 1.00 0.00 H new ATOM 0 HG SER A 70 -2.456 4.645 -10.608 1.00 0.00 H new ATOM 973 N THR A 71 -0.577 2.759 -7.998 1.00 0.00 N ATOM 974 CA THR A 71 0.680 3.356 -7.564 1.00 0.00 C ATOM 975 C THR A 71 1.595 3.635 -8.751 1.00 0.00 C ATOM 976 O THR A 71 2.436 4.532 -8.699 1.00 0.00 O ATOM 977 CB THR A 71 1.418 2.445 -6.564 1.00 0.00 C ATOM 978 OG1 THR A 71 2.267 1.531 -7.268 1.00 0.00 O ATOM 979 CG2 THR A 71 0.430 1.669 -5.707 1.00 0.00 C ATOM 0 H THR A 71 -0.742 1.817 -7.643 1.00 0.00 H new ATOM 0 HA THR A 71 0.431 4.296 -7.072 1.00 0.00 H new ATOM 0 HB THR A 71 2.024 3.075 -5.912 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.734 0.957 -6.625 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.975 1.033 -5.009 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.195 2.367 -5.150 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.199 1.050 -6.347 1.00 0.00 H new ATOM 987 N GLN A 72 1.425 2.861 -9.818 1.00 0.00 N ATOM 988 CA GLN A 72 2.237 3.027 -11.018 1.00 0.00 C ATOM 989 C GLN A 72 2.177 4.465 -11.522 1.00 0.00 C ATOM 990 O GLN A 72 3.172 5.008 -11.999 1.00 0.00 O ATOM 991 CB GLN A 72 1.765 2.070 -12.114 1.00 0.00 C ATOM 992 CG GLN A 72 2.784 1.867 -13.224 1.00 0.00 C ATOM 993 CD GLN A 72 2.172 1.269 -14.476 1.00 0.00 C ATOM 994 OE1 GLN A 72 2.121 0.049 -14.634 1.00 0.00 O ATOM 995 NE2 GLN A 72 1.702 2.127 -15.374 1.00 0.00 N ATOM 0 H GLN A 72 0.733 2.114 -9.876 1.00 0.00 H new ATOM 0 HA GLN A 72 3.271 2.794 -10.762 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.531 1.104 -11.666 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.841 2.453 -12.546 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.243 2.825 -13.470 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.580 1.214 -12.866 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.765 3.130 -15.202 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.278 1.783 -16.235 1.00 0.00 H new ATOM 1004 N GLY A 73 1.002 5.077 -11.412 1.00 0.00 N ATOM 1005 CA GLY A 73 0.834 6.447 -11.861 1.00 0.00 C ATOM 1006 C GLY A 73 1.191 7.456 -10.788 1.00 0.00 C ATOM 1007 O GLY A 73 1.154 8.665 -11.025 1.00 0.00 O ATOM 0 H GLY A 73 0.163 4.649 -11.020 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.458 6.618 -12.738 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.200 6.601 -12.170 1.00 0.00 H new ATOM 1011 N LEU A 74 1.537 6.962 -9.605 1.00 0.00 N ATOM 1012 CA LEU A 74 1.901 7.830 -8.490 1.00 0.00 C ATOM 1013 C LEU A 74 3.368 7.646 -8.113 1.00 0.00 C ATOM 1014 O LEU A 74 3.999 6.659 -8.492 1.00 0.00 O ATOM 1015 CB LEU A 74 1.011 7.540 -7.280 1.00 0.00 C ATOM 1016 CG LEU A 74 -0.497 7.602 -7.525 1.00 0.00 C ATOM 1017 CD1 LEU A 74 -1.240 6.765 -6.496 1.00 0.00 C ATOM 1018 CD2 LEU A 74 -0.983 9.043 -7.496 1.00 0.00 C ATOM 0 H LEU A 74 1.573 5.965 -9.392 1.00 0.00 H new ATOM 0 HA LEU A 74 1.752 8.864 -8.803 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.257 6.547 -6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.260 8.251 -6.492 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.703 7.191 -8.513 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.312 6.821 -6.686 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.913 5.728 -6.566 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.029 7.145 -5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.058 9.068 -7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.765 9.481 -6.522 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.475 9.614 -8.273 1.00 0.00 H new ATOM 1030 N THR A 75 3.905 8.603 -7.363 1.00 0.00 N ATOM 1031 CA THR A 75 5.297 8.546 -6.933 1.00 0.00 C ATOM 1032 C THR A 75 5.401 8.194 -5.454 1.00 0.00 C ATOM 1033 O THR A 75 4.391 7.984 -4.782 1.00 0.00 O ATOM 1034 CB THR A 75 6.016 9.885 -7.183 1.00 0.00 C ATOM 1035 OG1 THR A 75 5.235 10.966 -6.661 1.00 0.00 O ATOM 1036 CG2 THR A 75 6.260 10.100 -8.669 1.00 0.00 C ATOM 0 H THR A 75 3.397 9.427 -7.041 1.00 0.00 H new ATOM 0 HA THR A 75 5.780 7.767 -7.523 1.00 0.00 H new ATOM 0 HB THR A 75 6.979 9.855 -6.674 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.700 11.813 -6.823 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.769 11.052 -8.820 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.880 9.292 -9.057 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.306 10.111 -9.197 1.00 0.00 H new ATOM 1044 N HIS A 76 6.630 8.131 -4.951 1.00 0.00 N ATOM 1045 CA HIS A 76 6.867 7.805 -3.549 1.00 0.00 C ATOM 1046 C HIS A 76 6.056 8.718 -2.635 1.00 0.00 C ATOM 1047 O HIS A 76 5.432 8.259 -1.678 1.00 0.00 O ATOM 1048 CB HIS A 76 8.355 7.925 -3.220 1.00 0.00 C ATOM 1049 CG HIS A 76 8.631 8.126 -1.761 1.00 0.00 C ATOM 1050 ND1 HIS A 76 9.519 9.068 -1.286 1.00 0.00 N ATOM 1051 CD2 HIS A 76 8.130 7.500 -0.671 1.00 0.00 C ATOM 1052 CE1 HIS A 76 9.553 9.012 0.033 1.00 0.00 C ATOM 1053 NE2 HIS A 76 8.718 8.069 0.432 1.00 0.00 N ATOM 0 H HIS A 76 7.477 8.301 -5.493 1.00 0.00 H new ATOM 0 HA HIS A 76 6.548 6.776 -3.381 1.00 0.00 H new ATOM 0 HB2 HIS A 76 8.867 7.024 -3.558 1.00 0.00 H new ATOM 0 HB3 HIS A 76 8.776 8.760 -3.780 1.00 0.00 H new ATOM 0 HD2 HIS A 76 7.403 6.701 -0.669 1.00 0.00 H new ATOM 0 HE1 HIS A 76 10.160 9.632 0.676 1.00 0.00 H new ATOM 0 HE2 HIS A 76 8.539 7.806 1.401 1.00 0.00 H new ATOM 1062 N ALA A 77 6.070 10.012 -2.935 1.00 0.00 N ATOM 1063 CA ALA A 77 5.335 10.989 -2.141 1.00 0.00 C ATOM 1064 C ALA A 77 3.831 10.759 -2.243 1.00 0.00 C ATOM 1065 O ALA A 77 3.184 10.387 -1.265 1.00 0.00 O ATOM 1066 CB ALA A 77 5.687 12.401 -2.584 1.00 0.00 C ATOM 0 H ALA A 77 6.583 10.409 -3.723 1.00 0.00 H new ATOM 0 HA ALA A 77 5.625 10.865 -1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.131 13.120 -1.983 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.756 12.568 -2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.426 12.528 -3.635 1.00 0.00 H new ATOM 1072 N GLN A 78 3.282 10.984 -3.432 1.00 0.00 N ATOM 1073 CA GLN A 78 1.853 10.803 -3.660 1.00 0.00 C ATOM 1074 C GLN A 78 1.322 9.613 -2.867 1.00 0.00 C ATOM 1075 O GLN A 78 0.297 9.712 -2.193 1.00 0.00 O ATOM 1076 CB GLN A 78 1.575 10.602 -5.151 1.00 0.00 C ATOM 1077 CG GLN A 78 1.948 11.802 -6.007 1.00 0.00 C ATOM 1078 CD GLN A 78 1.126 13.032 -5.676 1.00 0.00 C ATOM 1079 OE1 GLN A 78 1.188 13.554 -4.563 1.00 0.00 O ATOM 1080 NE2 GLN A 78 0.350 13.504 -6.645 1.00 0.00 N ATOM 0 H GLN A 78 3.805 11.292 -4.252 1.00 0.00 H new ATOM 0 HA GLN A 78 1.339 11.702 -3.319 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.128 9.731 -5.501 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.516 10.383 -5.288 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.005 12.028 -5.868 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.811 11.550 -7.059 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.329 13.040 -7.553 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.225 14.330 -6.481 1.00 0.00 H new ATOM 1089 N ALA A 79 2.026 8.489 -2.953 1.00 0.00 N ATOM 1090 CA ALA A 79 1.626 7.281 -2.242 1.00 0.00 C ATOM 1091 C ALA A 79 1.408 7.564 -0.760 1.00 0.00 C ATOM 1092 O ALA A 79 0.331 7.307 -0.221 1.00 0.00 O ATOM 1093 CB ALA A 79 2.672 6.191 -2.425 1.00 0.00 C ATOM 0 H ALA A 79 2.876 8.390 -3.508 1.00 0.00 H new ATOM 0 HA ALA A 79 0.681 6.937 -2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.361 5.294 -1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.777 5.962 -3.485 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.629 6.535 -2.032 1.00 0.00 H new ATOM 1099 N VAL A 80 2.436 8.094 -0.105 1.00 0.00 N ATOM 1100 CA VAL A 80 2.356 8.411 1.316 1.00 0.00 C ATOM 1101 C VAL A 80 1.157 9.305 1.612 1.00 0.00 C ATOM 1102 O VAL A 80 0.531 9.190 2.665 1.00 0.00 O ATOM 1103 CB VAL A 80 3.638 9.110 1.808 1.00 0.00 C ATOM 1104 CG1 VAL A 80 3.502 9.506 3.270 1.00 0.00 C ATOM 1105 CG2 VAL A 80 4.847 8.211 1.600 1.00 0.00 C ATOM 0 H VAL A 80 3.334 8.313 -0.536 1.00 0.00 H new ATOM 0 HA VAL A 80 2.241 7.466 1.846 1.00 0.00 H new ATOM 0 HB VAL A 80 3.784 10.018 1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.417 9.998 3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.660 10.189 3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.331 8.615 3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.744 8.720 1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.712 7.285 2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.953 7.983 0.539 1.00 0.00 H new ATOM 1115 N GLU A 81 0.844 10.196 0.676 1.00 0.00 N ATOM 1116 CA GLU A 81 -0.280 11.110 0.838 1.00 0.00 C ATOM 1117 C GLU A 81 -1.607 10.363 0.741 1.00 0.00 C ATOM 1118 O GLU A 81 -2.469 10.492 1.610 1.00 0.00 O ATOM 1119 CB GLU A 81 -0.225 12.214 -0.220 1.00 0.00 C ATOM 1120 CG GLU A 81 -0.910 13.501 0.208 1.00 0.00 C ATOM 1121 CD GLU A 81 -2.394 13.504 -0.105 1.00 0.00 C ATOM 1122 OE1 GLU A 81 -2.762 13.125 -1.237 1.00 0.00 O ATOM 1123 OE2 GLU A 81 -3.187 13.886 0.781 1.00 0.00 O ATOM 0 H GLU A 81 1.353 10.304 -0.201 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.208 11.561 1.828 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.817 12.428 -0.456 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.691 11.851 -1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.768 13.645 1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.435 14.345 -0.293 1.00 0.00 H new ATOM 1130 N ARG A 82 -1.763 9.582 -0.324 1.00 0.00 N ATOM 1131 CA ARG A 82 -2.985 8.816 -0.536 1.00 0.00 C ATOM 1132 C ARG A 82 -3.436 8.142 0.756 1.00 0.00 C ATOM 1133 O ARG A 82 -4.627 7.907 0.963 1.00 0.00 O ATOM 1134 CB ARG A 82 -2.769 7.763 -1.625 1.00 0.00 C ATOM 1135 CG ARG A 82 -2.765 8.335 -3.033 1.00 0.00 C ATOM 1136 CD ARG A 82 -4.128 8.894 -3.411 1.00 0.00 C ATOM 1137 NE ARG A 82 -5.193 7.911 -3.230 1.00 0.00 N ATOM 1138 CZ ARG A 82 -6.484 8.191 -3.370 1.00 0.00 C ATOM 1139 NH1 ARG A 82 -6.868 9.418 -3.692 1.00 0.00 N ATOM 1140 NH2 ARG A 82 -7.393 7.242 -3.189 1.00 0.00 N ATOM 0 H ARG A 82 -1.059 9.464 -1.052 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.766 9.506 -0.856 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -1.821 7.256 -1.445 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.553 7.009 -1.550 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.015 9.123 -3.105 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.480 7.558 -3.742 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.340 9.774 -2.803 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.110 9.221 -4.451 1.00 0.00 H new ATOM 0 HE ARG A 82 -4.931 6.957 -2.982 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.172 10.150 -3.833 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.860 9.630 -3.799 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.101 6.296 -2.942 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.384 7.458 -3.297 1.00 0.00 H new ATOM 1154 N ILE A 83 -2.477 7.832 1.622 1.00 0.00 N ATOM 1155 CA ILE A 83 -2.775 7.186 2.893 1.00 0.00 C ATOM 1156 C ILE A 83 -3.254 8.200 3.927 1.00 0.00 C ATOM 1157 O ILE A 83 -4.351 8.075 4.472 1.00 0.00 O ATOM 1158 CB ILE A 83 -1.546 6.444 3.450 1.00 0.00 C ATOM 1159 CG1 ILE A 83 -0.913 5.573 2.363 1.00 0.00 C ATOM 1160 CG2 ILE A 83 -1.937 5.598 4.653 1.00 0.00 C ATOM 1161 CD1 ILE A 83 0.382 4.917 2.792 1.00 0.00 C ATOM 0 H ILE A 83 -1.486 8.018 1.466 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.569 6.464 2.701 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.811 7.181 3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.623 4.800 2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.726 6.186 1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.057 5.080 5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.346 6.241 5.432 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.688 4.866 4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.774 4.315 1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.108 5.685 3.058 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.197 4.278 3.655 1.00 0.00 H new ATOM 1173 N ARG A 84 -2.425 9.205 4.190 1.00 0.00 N ATOM 1174 CA ARG A 84 -2.764 10.241 5.157 1.00 0.00 C ATOM 1175 C ARG A 84 -4.134 10.841 4.853 1.00 0.00 C ATOM 1176 O ARG A 84 -4.896 11.167 5.763 1.00 0.00 O ATOM 1177 CB ARG A 84 -1.701 11.341 5.151 1.00 0.00 C ATOM 1178 CG ARG A 84 -1.982 12.454 4.155 1.00 0.00 C ATOM 1179 CD ARG A 84 -0.998 13.603 4.312 1.00 0.00 C ATOM 1180 NE ARG A 84 -1.445 14.576 5.305 1.00 0.00 N ATOM 1181 CZ ARG A 84 -0.836 15.736 5.524 1.00 0.00 C ATOM 1182 NH1 ARG A 84 0.240 16.066 4.823 1.00 0.00 N ATOM 1183 NH2 ARG A 84 -1.303 16.568 6.445 1.00 0.00 N ATOM 0 H ARG A 84 -1.514 9.323 3.747 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.798 9.783 6.146 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.628 11.769 6.151 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.732 10.897 4.923 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.924 12.059 3.141 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.998 12.822 4.296 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.024 13.209 4.604 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.866 14.101 3.351 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.270 14.353 5.861 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.602 15.429 4.114 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.706 16.957 4.993 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.131 16.317 6.986 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.835 17.458 6.612 1.00 0.00 H new ATOM 1197 N ALA A 85 -4.439 10.985 3.568 1.00 0.00 N ATOM 1198 CA ALA A 85 -5.717 11.545 3.144 1.00 0.00 C ATOM 1199 C ALA A 85 -6.781 10.458 3.028 1.00 0.00 C ATOM 1200 O ALA A 85 -7.962 10.749 2.844 1.00 0.00 O ATOM 1201 CB ALA A 85 -5.560 12.275 1.819 1.00 0.00 C ATOM 0 H ALA A 85 -3.819 10.722 2.802 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.043 12.257 3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.522 12.688 1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.838 13.083 1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.208 11.578 1.059 1.00 0.00 H new ATOM 1207 N GLY A 86 -6.353 9.203 3.137 1.00 0.00 N ATOM 1208 CA GLY A 86 -7.281 8.092 3.040 1.00 0.00 C ATOM 1209 C GLY A 86 -8.503 8.280 3.918 1.00 0.00 C ATOM 1210 O GLY A 86 -9.616 7.928 3.528 1.00 0.00 O ATOM 0 H GLY A 86 -5.380 8.937 3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.597 7.975 2.003 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.772 7.171 3.324 1.00 0.00 H new ATOM 1214 N GLY A 87 -8.295 8.834 5.108 1.00 0.00 N ATOM 1215 CA GLY A 87 -9.398 9.056 6.026 1.00 0.00 C ATOM 1216 C GLY A 87 -9.252 8.264 7.310 1.00 0.00 C ATOM 1217 O GLY A 87 -8.151 7.885 7.709 1.00 0.00 O ATOM 0 H GLY A 87 -7.383 9.133 5.453 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.461 10.118 6.263 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.333 8.782 5.538 1.00 0.00 H new ATOM 1221 N PRO A 88 -10.384 8.002 7.979 1.00 0.00 N ATOM 1222 CA PRO A 88 -10.404 7.247 9.236 1.00 0.00 C ATOM 1223 C PRO A 88 -10.068 5.774 9.033 1.00 0.00 C ATOM 1224 O PRO A 88 -9.642 5.092 9.965 1.00 0.00 O ATOM 1225 CB PRO A 88 -11.847 7.404 9.721 1.00 0.00 C ATOM 1226 CG PRO A 88 -12.638 7.654 8.484 1.00 0.00 C ATOM 1227 CD PRO A 88 -11.733 8.421 7.561 1.00 0.00 C ATOM 0 HA PRO A 88 -9.660 7.613 9.943 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -12.191 6.507 10.236 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.940 8.231 10.424 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.956 6.716 8.028 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.541 8.223 8.707 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.924 8.176 6.516 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -11.870 9.497 7.667 1.00 0.00 H new ATOM 1235 N GLN A 89 -10.262 5.290 7.810 1.00 0.00 N ATOM 1236 CA GLN A 89 -9.978 3.897 7.486 1.00 0.00 C ATOM 1237 C GLN A 89 -8.846 3.794 6.470 1.00 0.00 C ATOM 1238 O GLN A 89 -8.908 4.389 5.393 1.00 0.00 O ATOM 1239 CB GLN A 89 -11.233 3.213 6.941 1.00 0.00 C ATOM 1240 CG GLN A 89 -12.091 2.568 8.017 1.00 0.00 C ATOM 1241 CD GLN A 89 -13.175 1.677 7.444 1.00 0.00 C ATOM 1242 OE1 GLN A 89 -13.155 1.339 6.260 1.00 0.00 O ATOM 1243 NE2 GLN A 89 -14.130 1.292 8.282 1.00 0.00 N ATOM 0 H GLN A 89 -10.614 5.842 7.028 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.666 3.393 8.401 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.832 3.947 6.402 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.937 2.452 6.219 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.455 1.980 8.679 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.550 3.347 8.625 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.107 1.596 9.255 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.886 0.692 7.952 1.00 0.00 H new ATOM 1252 N LEU A 90 -7.813 3.035 6.818 1.00 0.00 N ATOM 1253 CA LEU A 90 -6.665 2.854 5.936 1.00 0.00 C ATOM 1254 C LEU A 90 -6.843 1.619 5.058 1.00 0.00 C ATOM 1255 O LEU A 90 -7.242 0.557 5.536 1.00 0.00 O ATOM 1256 CB LEU A 90 -5.381 2.729 6.757 1.00 0.00 C ATOM 1257 CG LEU A 90 -4.261 1.899 6.128 1.00 0.00 C ATOM 1258 CD1 LEU A 90 -2.902 2.388 6.605 1.00 0.00 C ATOM 1259 CD2 LEU A 90 -4.442 0.424 6.455 1.00 0.00 C ATOM 0 H LEU A 90 -7.747 2.535 7.705 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.592 3.729 5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.998 3.731 6.951 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.632 2.291 7.723 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.310 2.020 5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.117 1.786 6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.771 3.432 6.321 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.843 2.297 7.690 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.636 -0.151 5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.420 0.286 7.536 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.399 0.080 6.064 1.00 0.00 H new ATOM 1271 N HIS A 91 -6.543 1.766 3.771 1.00 0.00 N ATOM 1272 CA HIS A 91 -6.667 0.662 2.826 1.00 0.00 C ATOM 1273 C HIS A 91 -5.402 0.521 1.985 1.00 0.00 C ATOM 1274 O HIS A 91 -5.100 1.376 1.151 1.00 0.00 O ATOM 1275 CB HIS A 91 -7.877 0.875 1.916 1.00 0.00 C ATOM 1276 CG HIS A 91 -8.436 -0.396 1.355 1.00 0.00 C ATOM 1277 ND1 HIS A 91 -8.340 -0.737 0.022 1.00 0.00 N ATOM 1278 CD2 HIS A 91 -9.098 -1.413 1.955 1.00 0.00 C ATOM 1279 CE1 HIS A 91 -8.921 -1.907 -0.174 1.00 0.00 C ATOM 1280 NE2 HIS A 91 -9.389 -2.339 0.984 1.00 0.00 N ATOM 0 H HIS A 91 -6.212 2.639 3.359 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.807 -0.257 3.396 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -8.657 1.389 2.477 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.592 1.531 1.094 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.350 -1.483 3.003 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.000 -2.423 -1.120 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.886 -3.218 1.132 1.00 0.00 H new ATOM 1289 N LEU A 92 -4.665 -0.561 2.211 1.00 0.00 N ATOM 1290 CA LEU A 92 -3.431 -0.813 1.474 1.00 0.00 C ATOM 1291 C LEU A 92 -3.420 -2.225 0.897 1.00 0.00 C ATOM 1292 O LEU A 92 -3.534 -3.207 1.630 1.00 0.00 O ATOM 1293 CB LEU A 92 -2.219 -0.614 2.387 1.00 0.00 C ATOM 1294 CG LEU A 92 -2.234 0.644 3.257 1.00 0.00 C ATOM 1295 CD1 LEU A 92 -1.131 0.582 4.302 1.00 0.00 C ATOM 1296 CD2 LEU A 92 -2.086 1.890 2.396 1.00 0.00 C ATOM 0 H LEU A 92 -4.900 -1.277 2.898 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.378 -0.103 0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.135 -1.482 3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.322 -0.593 1.768 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.193 0.695 3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.156 1.485 4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.281 -0.290 4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.163 0.507 3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.099 2.775 3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.142 1.847 1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.911 1.942 1.686 1.00 0.00 H new ATOM 1308 N VAL A 93 -3.281 -2.318 -0.422 1.00 0.00 N ATOM 1309 CA VAL A 93 -3.251 -3.610 -1.098 1.00 0.00 C ATOM 1310 C VAL A 93 -1.866 -4.241 -1.016 1.00 0.00 C ATOM 1311 O VAL A 93 -0.895 -3.702 -1.547 1.00 0.00 O ATOM 1312 CB VAL A 93 -3.657 -3.478 -2.578 1.00 0.00 C ATOM 1313 CG1 VAL A 93 -4.059 -4.831 -3.144 1.00 0.00 C ATOM 1314 CG2 VAL A 93 -4.785 -2.469 -2.733 1.00 0.00 C ATOM 0 H VAL A 93 -3.187 -1.515 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.970 -4.251 -0.588 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.797 -3.116 -3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.343 -4.718 -4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.219 -5.521 -3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.904 -5.225 -2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.059 -2.388 -3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.650 -2.799 -2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.456 -1.496 -2.368 1.00 0.00 H new ATOM 1324 N ILE A 94 -1.783 -5.388 -0.349 1.00 0.00 N ATOM 1325 CA ILE A 94 -0.517 -6.094 -0.200 1.00 0.00 C ATOM 1326 C ILE A 94 -0.666 -7.570 -0.554 1.00 0.00 C ATOM 1327 O ILE A 94 -1.689 -8.189 -0.260 1.00 0.00 O ATOM 1328 CB ILE A 94 0.028 -5.974 1.235 1.00 0.00 C ATOM 1329 CG1 ILE A 94 0.178 -4.502 1.626 1.00 0.00 C ATOM 1330 CG2 ILE A 94 1.360 -6.699 1.358 1.00 0.00 C ATOM 1331 CD1 ILE A 94 1.213 -3.763 0.808 1.00 0.00 C ATOM 0 H ILE A 94 -2.577 -5.847 0.096 1.00 0.00 H new ATOM 0 HA ILE A 94 0.188 -5.627 -0.888 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.682 -6.441 1.918 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.785 -4.004 1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.448 -4.440 2.680 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.733 -6.605 2.378 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.224 -7.753 1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.079 -6.259 0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.266 -2.726 1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.186 -4.236 0.939 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.934 -3.794 -0.245 1.00 0.00 H new ATOM 1343 N ARG A 95 0.362 -8.128 -1.184 1.00 0.00 N ATOM 1344 CA ARG A 95 0.346 -9.532 -1.578 1.00 0.00 C ATOM 1345 C ARG A 95 1.549 -10.272 -1.000 1.00 0.00 C ATOM 1346 O ARG A 95 2.611 -10.332 -1.620 1.00 0.00 O ATOM 1347 CB ARG A 95 0.342 -9.656 -3.103 1.00 0.00 C ATOM 1348 CG ARG A 95 0.559 -11.076 -3.598 1.00 0.00 C ATOM 1349 CD ARG A 95 0.528 -11.147 -5.117 1.00 0.00 C ATOM 1350 NE ARG A 95 0.670 -12.517 -5.604 1.00 0.00 N ATOM 1351 CZ ARG A 95 1.795 -13.216 -5.512 1.00 0.00 C ATOM 1352 NH1 ARG A 95 2.871 -12.678 -4.953 1.00 0.00 N ATOM 1353 NH2 ARG A 95 1.846 -14.457 -5.979 1.00 0.00 N ATOM 0 H ARG A 95 1.217 -7.630 -1.433 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.563 -9.985 -1.181 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.609 -9.288 -3.487 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.121 -9.014 -3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 95 1.518 -11.447 -3.235 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.212 -11.728 -3.186 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.411 -10.729 -5.480 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.330 -10.532 -5.525 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.139 -12.961 -6.038 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.836 -11.725 -4.592 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.734 -13.218 -4.884 1.00 0.00 H new ATOM 0 HH21 ARG A 95 1.021 -14.874 -6.409 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.711 -14.993 -5.908 1.00 0.00 H new ATOM 1367 N ARG A 96 1.375 -10.833 0.192 1.00 0.00 N ATOM 1368 CA ARG A 96 2.446 -11.568 0.855 1.00 0.00 C ATOM 1369 C ARG A 96 3.216 -12.425 -0.145 1.00 0.00 C ATOM 1370 O ARG A 96 2.775 -13.501 -0.549 1.00 0.00 O ATOM 1371 CB ARG A 96 1.876 -12.451 1.966 1.00 0.00 C ATOM 1372 CG ARG A 96 2.903 -12.853 3.012 1.00 0.00 C ATOM 1373 CD ARG A 96 2.532 -14.168 3.680 1.00 0.00 C ATOM 1374 NE ARG A 96 1.194 -14.127 4.264 1.00 0.00 N ATOM 1375 CZ ARG A 96 0.917 -13.546 5.426 1.00 0.00 C ATOM 1376 NH1 ARG A 96 1.880 -12.959 6.123 1.00 0.00 N ATOM 1377 NH2 ARG A 96 -0.325 -13.550 5.891 1.00 0.00 N ATOM 0 H ARG A 96 0.502 -10.793 0.719 1.00 0.00 H new ATOM 0 HA ARG A 96 3.133 -10.844 1.293 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.059 -11.922 2.456 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.451 -13.351 1.521 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.883 -12.945 2.545 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.982 -12.070 3.766 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.583 -14.974 2.948 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.260 -14.397 4.458 1.00 0.00 H new ATOM 0 HE ARG A 96 0.431 -14.569 3.752 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.836 -12.953 5.767 1.00 0.00 H new ATOM 0 HH12 ARG A 96 1.665 -12.513 7.015 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -1.068 -13.999 5.356 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.537 -13.104 6.783 1.00 0.00 H new ATOM 1391 N PRO A 97 4.397 -11.938 -0.556 1.00 0.00 N ATOM 1392 CA PRO A 97 5.254 -12.643 -1.513 1.00 0.00 C ATOM 1393 C PRO A 97 5.870 -13.905 -0.919 1.00 0.00 C ATOM 1394 O PRO A 97 5.690 -14.200 0.263 1.00 0.00 O ATOM 1395 CB PRO A 97 6.343 -11.617 -1.836 1.00 0.00 C ATOM 1396 CG PRO A 97 6.393 -10.728 -0.642 1.00 0.00 C ATOM 1397 CD PRO A 97 4.986 -10.662 -0.116 1.00 0.00 C ATOM 0 HA PRO A 97 4.697 -12.983 -2.386 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.304 -12.101 -2.009 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.102 -11.055 -2.738 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.073 -11.125 0.112 1.00 0.00 H new ATOM 0 HG3 PRO A 97 6.757 -9.736 -0.909 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.967 -10.564 0.969 1.00 0.00 H new ATOM 0 HD3 PRO A 97 4.445 -9.808 -0.523 1.00 0.00 H new