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 Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0123 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 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 170:sc=-0.00307 (180deg=-0.172) USER MOD Single : A 52 GLN : amide:sc= -2.77! C(o=-2.8!,f=-5.7!) USER MOD Single : A 54 CYS SG : rot -15:sc= -2.34 USER MOD Single : A 65 HIS : no HD1:sc= -2.97! C(o=-3!,f=-6!) USER MOD Single : A 67 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.18) USER MOD Single : A 70 SER OG : rot -13:sc= 0.548! USER MOD Single : A 71 THR OG1 : rot -35:sc= 0.851 USER MOD Single : A 72 GLN : amide:sc= -0.0721 X(o=-0.072,f=-0.072) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 78 GLN : amide:sc= -0.767 K(o=-0.77,f=-5.1!) USER MOD Single : A 89 GLN : amide:sc= -1.68 K(o=-1.7,f=-0.45) USER MOD Single : A 91 HIS : no HE2:sc= -1.4 K(o=-1.4,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 111 N HIS A 12 -3.640 -10.464 -4.240 1.00 0.00 N ATOM 112 CA HIS A 12 -3.397 -9.328 -3.358 1.00 0.00 C ATOM 113 C HIS A 12 -4.504 -9.203 -2.316 1.00 0.00 C ATOM 114 O HIS A 12 -5.651 -9.573 -2.565 1.00 0.00 O ATOM 115 CB HIS A 12 -3.297 -8.037 -4.171 1.00 0.00 C ATOM 116 CG HIS A 12 -4.146 -8.039 -5.405 1.00 0.00 C ATOM 117 ND1 HIS A 12 -5.461 -7.625 -5.414 1.00 0.00 N ATOM 118 CD2 HIS A 12 -3.860 -8.406 -6.676 1.00 0.00 C ATOM 119 CE1 HIS A 12 -5.948 -7.739 -6.637 1.00 0.00 C ATOM 120 NE2 HIS A 12 -4.996 -8.210 -7.422 1.00 0.00 N ATOM 0 HA HIS A 12 -2.453 -9.496 -2.840 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.589 -7.197 -3.541 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -2.257 -7.876 -4.456 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -2.914 -8.783 -7.036 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.953 -7.490 -6.943 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -5.089 -8.398 -8.420 1.00 0.00 H new ATOM 129 N PHE A 13 -4.152 -8.678 -1.146 1.00 0.00 N ATOM 130 CA PHE A 13 -5.115 -8.505 -0.065 1.00 0.00 C ATOM 131 C PHE A 13 -5.167 -7.050 0.389 1.00 0.00 C ATOM 132 O PHE A 13 -4.282 -6.256 0.069 1.00 0.00 O ATOM 133 CB PHE A 13 -4.754 -9.408 1.117 1.00 0.00 C ATOM 134 CG PHE A 13 -3.334 -9.250 1.580 1.00 0.00 C ATOM 135 CD1 PHE A 13 -2.986 -8.235 2.457 1.00 0.00 C ATOM 136 CD2 PHE A 13 -2.347 -10.117 1.139 1.00 0.00 C ATOM 137 CE1 PHE A 13 -1.680 -8.086 2.884 1.00 0.00 C ATOM 138 CE2 PHE A 13 -1.039 -9.974 1.563 1.00 0.00 C ATOM 139 CZ PHE A 13 -0.706 -8.958 2.437 1.00 0.00 C ATOM 0 H PHE A 13 -3.207 -8.365 -0.923 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.099 -8.785 -0.440 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.425 -9.191 1.948 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.922 -10.447 0.835 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.744 -7.552 2.811 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.603 -10.914 0.456 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.421 -7.289 3.566 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.279 -10.656 1.211 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.315 -8.845 2.771 1.00 0.00 H new ATOM 149 N SER A 14 -6.211 -6.707 1.137 1.00 0.00 N ATOM 150 CA SER A 14 -6.382 -5.346 1.633 1.00 0.00 C ATOM 151 C SER A 14 -6.015 -5.256 3.111 1.00 0.00 C ATOM 152 O SER A 14 -6.037 -6.255 3.830 1.00 0.00 O ATOM 153 CB SER A 14 -7.825 -4.882 1.424 1.00 0.00 C ATOM 154 OG SER A 14 -8.743 -5.914 1.740 1.00 0.00 O ATOM 0 H SER A 14 -6.951 -7.353 1.413 1.00 0.00 H new ATOM 0 HA SER A 14 -5.713 -4.694 1.071 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.024 -4.010 2.048 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.964 -4.572 0.388 1.00 0.00 H new ATOM 0 HG SER A 14 -9.658 -5.592 1.600 1.00 0.00 H new ATOM 160 N VAL A 15 -5.678 -4.050 3.558 1.00 0.00 N ATOM 161 CA VAL A 15 -5.308 -3.827 4.950 1.00 0.00 C ATOM 162 C VAL A 15 -6.161 -2.730 5.577 1.00 0.00 C ATOM 163 O VAL A 15 -6.137 -1.583 5.134 1.00 0.00 O ATOM 164 CB VAL A 15 -3.821 -3.444 5.081 1.00 0.00 C ATOM 165 CG1 VAL A 15 -3.388 -3.475 6.539 1.00 0.00 C ATOM 166 CG2 VAL A 15 -2.957 -4.371 4.240 1.00 0.00 C ATOM 0 H VAL A 15 -5.654 -3.213 2.976 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.482 -4.765 5.478 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.691 -2.427 4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.335 -3.202 6.612 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.987 -2.767 7.112 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.531 -4.479 6.940 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.910 -4.086 4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.089 -5.399 4.579 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.252 -4.293 3.194 1.00 0.00 H new ATOM 176 N GLU A 16 -6.913 -3.092 6.612 1.00 0.00 N ATOM 177 CA GLU A 16 -7.775 -2.138 7.300 1.00 0.00 C ATOM 178 C GLU A 16 -7.247 -1.840 8.701 1.00 0.00 C ATOM 179 O GLU A 16 -6.965 -2.754 9.477 1.00 0.00 O ATOM 180 CB GLU A 16 -9.204 -2.676 7.385 1.00 0.00 C ATOM 181 CG GLU A 16 -9.699 -3.296 6.089 1.00 0.00 C ATOM 182 CD GLU A 16 -10.305 -2.273 5.148 1.00 0.00 C ATOM 183 OE1 GLU A 16 -9.777 -1.142 5.082 1.00 0.00 O ATOM 184 OE2 GLU A 16 -11.306 -2.601 4.477 1.00 0.00 O ATOM 0 H GLU A 16 -6.943 -4.038 6.992 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.778 -1.211 6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.256 -3.422 8.178 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.873 -1.863 7.668 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.869 -3.797 5.590 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.442 -4.060 6.317 1.00 0.00 H new ATOM 191 N LEU A 17 -7.116 -0.557 9.017 1.00 0.00 N ATOM 192 CA LEU A 17 -6.623 -0.137 10.324 1.00 0.00 C ATOM 193 C LEU A 17 -7.344 1.120 10.801 1.00 0.00 C ATOM 194 O LEU A 17 -7.911 1.864 10.001 1.00 0.00 O ATOM 195 CB LEU A 17 -5.115 0.118 10.264 1.00 0.00 C ATOM 196 CG LEU A 17 -4.255 -1.054 9.792 1.00 0.00 C ATOM 197 CD1 LEU A 17 -2.819 -0.606 9.565 1.00 0.00 C ATOM 198 CD2 LEU A 17 -4.307 -2.194 10.799 1.00 0.00 C ATOM 0 H LEU A 17 -7.344 0.211 8.386 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.822 -0.939 11.035 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.936 0.964 9.601 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.777 0.414 11.257 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.655 -1.414 8.844 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.222 -1.454 9.229 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.797 0.176 8.806 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.407 -0.219 10.497 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.689 -3.020 10.446 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.933 -1.846 11.762 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.337 -2.534 10.911 1.00 0.00 H new ATOM 210 N VAL A 18 -7.316 1.351 12.109 1.00 0.00 N ATOM 211 CA VAL A 18 -7.964 2.520 12.693 1.00 0.00 C ATOM 212 C VAL A 18 -6.934 3.518 13.210 1.00 0.00 C ATOM 213 O VAL A 18 -6.167 3.217 14.125 1.00 0.00 O ATOM 214 CB VAL A 18 -8.903 2.123 13.848 1.00 0.00 C ATOM 215 CG1 VAL A 18 -9.581 3.353 14.431 1.00 0.00 C ATOM 216 CG2 VAL A 18 -9.934 1.111 13.371 1.00 0.00 C ATOM 0 H VAL A 18 -6.852 0.744 12.785 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.551 2.985 11.901 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.308 1.659 14.635 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.240 3.053 15.246 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.825 4.040 14.811 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.165 3.849 13.655 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.589 0.841 14.199 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.527 1.547 12.567 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.426 0.219 13.005 1.00 0.00 H new ATOM 226 N ARG A 19 -6.923 4.708 12.618 1.00 0.00 N ATOM 227 CA ARG A 19 -5.987 5.752 13.019 1.00 0.00 C ATOM 228 C ARG A 19 -5.726 5.701 14.521 1.00 0.00 C ATOM 229 O ARG A 19 -6.566 6.111 15.321 1.00 0.00 O ATOM 230 CB ARG A 19 -6.528 7.129 12.630 1.00 0.00 C ATOM 231 CG ARG A 19 -5.442 8.155 12.355 1.00 0.00 C ATOM 232 CD ARG A 19 -6.032 9.505 11.978 1.00 0.00 C ATOM 233 NE ARG A 19 -5.068 10.589 12.142 1.00 0.00 N ATOM 234 CZ ARG A 19 -5.361 11.869 11.941 1.00 0.00 C ATOM 235 NH1 ARG A 19 -6.584 12.223 11.572 1.00 0.00 N ATOM 236 NH2 ARG A 19 -4.429 12.799 12.110 1.00 0.00 N ATOM 0 H ARG A 19 -7.551 4.973 11.859 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.045 5.580 12.499 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.153 7.027 11.743 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.169 7.497 13.431 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.813 8.266 13.238 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.800 7.800 11.549 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.372 9.476 10.943 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.908 9.703 12.595 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.118 10.351 12.426 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.303 11.512 11.442 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.806 13.207 11.418 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.487 12.531 12.394 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.655 13.782 11.955 1.00 0.00 H new ATOM 250 N GLY A 20 -4.556 5.195 14.897 1.00 0.00 N ATOM 251 CA GLY A 20 -4.206 5.099 16.302 1.00 0.00 C ATOM 252 C GLY A 20 -4.027 6.458 16.949 1.00 0.00 C ATOM 253 O GLY A 20 -4.913 6.939 17.656 1.00 0.00 O ATOM 0 H GLY A 20 -3.844 4.850 14.254 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.984 4.548 16.830 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.284 4.527 16.405 1.00 0.00 H new ATOM 257 N TYR A 21 -2.877 7.080 16.708 1.00 0.00 N ATOM 258 CA TYR A 21 -2.583 8.390 17.276 1.00 0.00 C ATOM 259 C TYR A 21 -1.703 9.206 16.335 1.00 0.00 C ATOM 260 O TYR A 21 -0.600 8.790 15.981 1.00 0.00 O ATOM 261 CB TYR A 21 -1.895 8.238 18.633 1.00 0.00 C ATOM 262 CG TYR A 21 -1.577 9.557 19.302 1.00 0.00 C ATOM 263 CD1 TYR A 21 -0.426 10.263 18.978 1.00 0.00 C ATOM 264 CD2 TYR A 21 -2.430 10.096 20.258 1.00 0.00 C ATOM 265 CE1 TYR A 21 -0.132 11.468 19.587 1.00 0.00 C ATOM 266 CE2 TYR A 21 -2.145 11.301 20.871 1.00 0.00 C ATOM 267 CZ TYR A 21 -0.994 11.982 20.533 1.00 0.00 C ATOM 268 OH TYR A 21 -0.705 13.182 21.141 1.00 0.00 O ATOM 0 H TYR A 21 -2.134 6.698 16.123 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.526 8.919 17.412 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.535 7.651 19.292 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.971 7.675 18.501 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.251 9.863 18.237 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.331 9.564 20.526 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.768 12.004 19.324 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.819 11.707 21.610 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.413 13.403 21.781 1.00 0.00 H new ATOM 278 N ALA A 22 -2.198 10.372 15.933 1.00 0.00 N ATOM 279 CA ALA A 22 -1.457 11.249 15.036 1.00 0.00 C ATOM 280 C ALA A 22 -0.911 10.476 13.840 1.00 0.00 C ATOM 281 O ALA A 22 0.178 10.766 13.345 1.00 0.00 O ATOM 282 CB ALA A 22 -0.324 11.935 15.785 1.00 0.00 C ATOM 0 H ALA A 22 -3.110 10.731 16.215 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.143 12.009 14.662 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.221 12.587 15.102 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.735 12.527 16.603 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.354 11.183 16.187 1.00 0.00 H new ATOM 288 N GLY A 23 -1.674 9.489 13.380 1.00 0.00 N ATOM 289 CA GLY A 23 -1.249 8.689 12.246 1.00 0.00 C ATOM 290 C GLY A 23 -1.240 7.205 12.555 1.00 0.00 C ATOM 291 O GLY A 23 -1.453 6.800 13.698 1.00 0.00 O ATOM 0 H GLY A 23 -2.579 9.229 13.772 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.913 8.877 11.403 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.250 8.999 11.940 1.00 0.00 H new ATOM 295 N PHE A 24 -0.995 6.391 11.533 1.00 0.00 N ATOM 296 CA PHE A 24 -0.962 4.943 11.700 1.00 0.00 C ATOM 297 C PHE A 24 0.443 4.469 12.062 1.00 0.00 C ATOM 298 O PHE A 24 0.646 3.310 12.422 1.00 0.00 O ATOM 299 CB PHE A 24 -1.432 4.250 10.420 1.00 0.00 C ATOM 300 CG PHE A 24 -2.888 4.467 10.121 1.00 0.00 C ATOM 301 CD1 PHE A 24 -3.304 5.582 9.412 1.00 0.00 C ATOM 302 CD2 PHE A 24 -3.839 3.555 10.548 1.00 0.00 C ATOM 303 CE1 PHE A 24 -4.643 5.784 9.136 1.00 0.00 C ATOM 304 CE2 PHE A 24 -5.180 3.752 10.274 1.00 0.00 C ATOM 305 CZ PHE A 24 -5.582 4.867 9.567 1.00 0.00 C ATOM 0 H PHE A 24 -0.816 6.710 10.581 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.636 4.681 12.515 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.839 4.613 9.581 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.242 3.180 10.505 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.574 6.301 9.071 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.530 2.680 11.101 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.955 6.658 8.584 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.912 3.034 10.613 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.629 5.022 9.351 1.00 0.00 H new ATOM 315 N GLY A 25 1.411 5.376 11.964 1.00 0.00 N ATOM 316 CA GLY A 25 2.784 5.032 12.283 1.00 0.00 C ATOM 317 C GLY A 25 3.419 4.144 11.231 1.00 0.00 C ATOM 318 O GLY A 25 4.400 3.450 11.504 1.00 0.00 O ATOM 0 H GLY A 25 1.268 6.342 11.670 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.370 5.946 12.385 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.814 4.525 13.248 1.00 0.00 H new ATOM 322 N LEU A 26 2.859 4.163 10.027 1.00 0.00 N ATOM 323 CA LEU A 26 3.376 3.351 8.930 1.00 0.00 C ATOM 324 C LEU A 26 4.198 4.200 7.966 1.00 0.00 C ATOM 325 O LEU A 26 3.781 5.287 7.566 1.00 0.00 O ATOM 326 CB LEU A 26 2.224 2.679 8.181 1.00 0.00 C ATOM 327 CG LEU A 26 2.622 1.645 7.127 1.00 0.00 C ATOM 328 CD1 LEU A 26 3.355 0.479 7.772 1.00 0.00 C ATOM 329 CD2 LEU A 26 1.396 1.154 6.371 1.00 0.00 C ATOM 0 H LEU A 26 2.047 4.731 9.785 1.00 0.00 H new ATOM 0 HA LEU A 26 4.024 2.583 9.352 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.576 2.194 8.911 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.632 3.454 7.695 1.00 0.00 H new ATOM 0 HG LEU A 26 3.296 2.122 6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.630 -0.246 7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.255 0.844 8.266 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.706 0.003 8.506 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.699 0.419 5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.697 0.695 7.070 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.913 1.996 5.875 1.00 0.00 H new ATOM 341 N THR A 27 5.370 3.695 7.593 1.00 0.00 N ATOM 342 CA THR A 27 6.252 4.405 6.675 1.00 0.00 C ATOM 343 C THR A 27 6.600 3.541 5.468 1.00 0.00 C ATOM 344 O THR A 27 6.522 2.313 5.528 1.00 0.00 O ATOM 345 CB THR A 27 7.554 4.843 7.371 1.00 0.00 C ATOM 346 OG1 THR A 27 7.249 5.590 8.554 1.00 0.00 O ATOM 347 CG2 THR A 27 8.409 5.687 6.438 1.00 0.00 C ATOM 0 H THR A 27 5.730 2.796 7.913 1.00 0.00 H new ATOM 0 HA THR A 27 5.712 5.291 6.341 1.00 0.00 H new ATOM 0 HB THR A 27 8.115 3.948 7.641 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.082 5.864 8.992 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.323 5.985 6.952 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.664 5.105 5.552 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.854 6.577 6.141 1.00 0.00 H new ATOM 355 N LEU A 28 6.984 4.188 4.374 1.00 0.00 N ATOM 356 CA LEU A 28 7.346 3.478 3.152 1.00 0.00 C ATOM 357 C LEU A 28 8.744 3.872 2.687 1.00 0.00 C ATOM 358 O LEU A 28 9.127 5.039 2.758 1.00 0.00 O ATOM 359 CB LEU A 28 6.327 3.771 2.049 1.00 0.00 C ATOM 360 CG LEU A 28 5.125 2.828 1.978 1.00 0.00 C ATOM 361 CD1 LEU A 28 4.034 3.420 1.099 1.00 0.00 C ATOM 362 CD2 LEU A 28 5.548 1.462 1.460 1.00 0.00 C ATOM 0 H LEU A 28 7.053 5.203 4.308 1.00 0.00 H new ATOM 0 HA LEU A 28 7.343 2.409 3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.958 4.788 2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.842 3.743 1.089 1.00 0.00 H new ATOM 0 HG LEU A 28 4.725 2.704 2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.187 2.735 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.710 4.375 1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.422 3.575 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.680 0.805 1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.974 1.567 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.294 1.034 2.130 1.00 0.00 H new ATOM 374 N GLY A 29 9.501 2.890 2.207 1.00 0.00 N ATOM 375 CA GLY A 29 10.848 3.155 1.735 1.00 0.00 C ATOM 376 C GLY A 29 11.023 2.821 0.267 1.00 0.00 C ATOM 377 O GLY A 29 10.388 1.902 -0.248 1.00 0.00 O ATOM 0 H GLY A 29 9.206 1.916 2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.086 4.206 1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.557 2.574 2.324 1.00 0.00 H new ATOM 381 N GLY A 30 11.887 3.571 -0.410 1.00 0.00 N ATOM 382 CA GLY A 30 12.127 3.335 -1.822 1.00 0.00 C ATOM 383 C GLY A 30 11.114 4.034 -2.707 1.00 0.00 C ATOM 384 O GLY A 30 10.886 5.235 -2.573 1.00 0.00 O ATOM 0 H GLY A 30 12.425 4.338 -0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.129 3.679 -2.080 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.098 2.263 -2.018 1.00 0.00 H new ATOM 388 N GLY A 31 10.506 3.280 -3.617 1.00 0.00 N ATOM 389 CA GLY A 31 9.520 3.852 -4.516 1.00 0.00 C ATOM 390 C GLY A 31 10.148 4.454 -5.757 1.00 0.00 C ATOM 391 O GLY A 31 11.143 3.940 -6.270 1.00 0.00 O ATOM 0 H GLY A 31 10.678 2.283 -3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.810 3.079 -4.810 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.955 4.621 -3.989 1.00 0.00 H new ATOM 395 N ARG A 32 9.566 5.545 -6.243 1.00 0.00 N ATOM 396 CA ARG A 32 10.073 6.216 -7.434 1.00 0.00 C ATOM 397 C ARG A 32 10.977 7.386 -7.055 1.00 0.00 C ATOM 398 O ARG A 32 10.503 8.428 -6.600 1.00 0.00 O ATOM 399 CB ARG A 32 8.913 6.713 -8.298 1.00 0.00 C ATOM 400 CG ARG A 32 9.359 7.424 -9.566 1.00 0.00 C ATOM 401 CD ARG A 32 9.591 6.441 -10.703 1.00 0.00 C ATOM 402 NE ARG A 32 8.357 6.129 -11.418 1.00 0.00 N ATOM 403 CZ ARG A 32 7.835 6.909 -12.358 1.00 0.00 C ATOM 404 NH1 ARG A 32 8.437 8.041 -12.695 1.00 0.00 N ATOM 405 NH2 ARG A 32 6.708 6.557 -12.964 1.00 0.00 N ATOM 0 H ARG A 32 8.743 5.983 -5.830 1.00 0.00 H new ATOM 0 HA ARG A 32 10.659 5.496 -8.005 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.284 5.865 -8.569 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.297 7.392 -7.708 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.603 8.152 -9.861 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.277 7.979 -9.370 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.318 6.858 -11.400 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.022 5.522 -10.305 1.00 0.00 H new ATOM 0 HE ARG A 32 7.869 5.265 -11.183 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.304 8.315 -12.232 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.034 8.638 -13.417 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.242 5.687 -12.708 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.308 7.157 -13.686 1.00 0.00 H new ATOM 419 N ASP A 33 12.279 7.207 -7.246 1.00 0.00 N ATOM 420 CA ASP A 33 13.249 8.248 -6.926 1.00 0.00 C ATOM 421 C ASP A 33 13.761 8.923 -8.194 1.00 0.00 C ATOM 422 O ASP A 33 13.694 8.353 -9.283 1.00 0.00 O ATOM 423 CB ASP A 33 14.420 7.658 -6.139 1.00 0.00 C ATOM 424 CG ASP A 33 14.002 6.492 -5.264 1.00 0.00 C ATOM 425 OD1 ASP A 33 13.479 5.498 -5.810 1.00 0.00 O ATOM 426 OD2 ASP A 33 14.198 6.574 -4.034 1.00 0.00 O ATOM 0 H ASP A 33 12.687 6.351 -7.621 1.00 0.00 H new ATOM 0 HA ASP A 33 12.750 8.999 -6.313 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.192 7.328 -6.835 1.00 0.00 H new ATOM 0 HB3 ASP A 33 14.863 8.435 -5.516 1.00 0.00 H new ATOM 431 N VAL A 34 14.272 10.141 -8.045 1.00 0.00 N ATOM 432 CA VAL A 34 14.795 10.894 -9.179 1.00 0.00 C ATOM 433 C VAL A 34 16.039 10.227 -9.754 1.00 0.00 C ATOM 434 O VAL A 34 16.296 10.300 -10.955 1.00 0.00 O ATOM 435 CB VAL A 34 15.140 12.341 -8.780 1.00 0.00 C ATOM 436 CG1 VAL A 34 15.817 13.066 -9.933 1.00 0.00 C ATOM 437 CG2 VAL A 34 13.888 13.083 -8.335 1.00 0.00 C ATOM 0 H VAL A 34 14.335 10.627 -7.151 1.00 0.00 H new ATOM 0 HA VAL A 34 14.012 10.911 -9.937 1.00 0.00 H new ATOM 0 HB VAL A 34 15.836 12.312 -7.942 1.00 0.00 H new ATOM 0 HG11 VAL A 34 16.053 14.087 -9.632 1.00 0.00 H new ATOM 0 HG12 VAL A 34 16.736 12.545 -10.201 1.00 0.00 H new ATOM 0 HG13 VAL A 34 15.148 13.087 -10.793 1.00 0.00 H new ATOM 0 HG21 VAL A 34 14.150 14.104 -8.057 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.167 13.103 -9.152 1.00 0.00 H new ATOM 0 HG23 VAL A 34 13.449 12.574 -7.477 1.00 0.00 H new ATOM 447 N ALA A 35 16.809 9.576 -8.888 1.00 0.00 N ATOM 448 CA ALA A 35 18.026 8.894 -9.311 1.00 0.00 C ATOM 449 C ALA A 35 17.972 7.410 -8.963 1.00 0.00 C ATOM 450 O ALA A 35 18.999 6.734 -8.923 1.00 0.00 O ATOM 451 CB ALA A 35 19.244 9.543 -8.672 1.00 0.00 C ATOM 0 H ALA A 35 16.612 9.507 -7.890 1.00 0.00 H new ATOM 0 HA ALA A 35 18.106 8.985 -10.394 1.00 0.00 H new ATOM 0 HB1 ALA A 35 20.146 9.023 -8.997 1.00 0.00 H new ATOM 0 HB2 ALA A 35 19.299 10.589 -8.974 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.161 9.482 -7.587 1.00 0.00 H new ATOM 457 N GLY A 36 16.766 6.909 -8.712 1.00 0.00 N ATOM 458 CA GLY A 36 16.601 5.509 -8.370 1.00 0.00 C ATOM 459 C GLY A 36 15.179 5.025 -8.576 1.00 0.00 C ATOM 460 O GLY A 36 14.228 5.795 -8.441 1.00 0.00 O ATOM 0 H GLY A 36 15.901 7.448 -8.740 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.278 4.908 -8.977 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.886 5.356 -7.329 1.00 0.00 H new ATOM 464 N ASP A 37 15.033 3.746 -8.906 1.00 0.00 N ATOM 465 CA ASP A 37 13.717 3.161 -9.132 1.00 0.00 C ATOM 466 C ASP A 37 13.550 1.873 -8.332 1.00 0.00 C ATOM 467 O ASP A 37 14.096 0.829 -8.693 1.00 0.00 O ATOM 468 CB ASP A 37 13.509 2.882 -10.622 1.00 0.00 C ATOM 469 CG ASP A 37 14.599 2.004 -11.204 1.00 0.00 C ATOM 470 OD1 ASP A 37 15.751 2.475 -11.303 1.00 0.00 O ATOM 471 OD2 ASP A 37 14.300 0.845 -11.560 1.00 0.00 O ATOM 0 H ASP A 37 15.810 3.095 -9.023 1.00 0.00 H new ATOM 0 HA ASP A 37 12.966 3.876 -8.796 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.542 2.400 -10.767 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.479 3.827 -11.165 1.00 0.00 H new ATOM 476 N THR A 38 12.793 1.953 -7.242 1.00 0.00 N ATOM 477 CA THR A 38 12.557 0.795 -6.390 1.00 0.00 C ATOM 478 C THR A 38 11.080 0.667 -6.033 1.00 0.00 C ATOM 479 O THR A 38 10.363 1.658 -5.891 1.00 0.00 O ATOM 480 CB THR A 38 13.382 0.875 -5.091 1.00 0.00 C ATOM 481 OG1 THR A 38 13.360 2.212 -4.579 1.00 0.00 O ATOM 482 CG2 THR A 38 14.820 0.444 -5.336 1.00 0.00 C ATOM 0 H THR A 38 12.333 2.808 -6.929 1.00 0.00 H new ATOM 0 HA THR A 38 12.869 -0.083 -6.956 1.00 0.00 H new ATOM 0 HB THR A 38 12.936 0.199 -4.361 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.885 2.255 -3.753 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.383 0.509 -4.405 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.835 -0.584 -5.698 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.274 1.098 -6.081 1.00 0.00 H new ATOM 490 N PRO A 39 10.612 -0.581 -5.883 1.00 0.00 N ATOM 491 CA PRO A 39 9.216 -0.867 -5.539 1.00 0.00 C ATOM 492 C PRO A 39 8.877 -0.463 -4.109 1.00 0.00 C ATOM 493 O PRO A 39 9.551 -0.870 -3.161 1.00 0.00 O ATOM 494 CB PRO A 39 9.115 -2.386 -5.705 1.00 0.00 C ATOM 495 CG PRO A 39 10.504 -2.883 -5.501 1.00 0.00 C ATOM 496 CD PRO A 39 11.411 -1.809 -6.037 1.00 0.00 C ATOM 0 HA PRO A 39 8.519 -0.309 -6.164 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.429 -2.819 -4.977 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.741 -2.652 -6.693 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.701 -3.069 -4.445 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.662 -3.825 -6.026 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.344 -1.754 -5.477 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.675 -1.989 -7.079 1.00 0.00 H new ATOM 504 N LEU A 40 7.828 0.338 -3.958 1.00 0.00 N ATOM 505 CA LEU A 40 7.399 0.797 -2.642 1.00 0.00 C ATOM 506 C LEU A 40 7.135 -0.384 -1.713 1.00 0.00 C ATOM 507 O LEU A 40 6.427 -1.323 -2.073 1.00 0.00 O ATOM 508 CB LEU A 40 6.138 1.655 -2.765 1.00 0.00 C ATOM 509 CG LEU A 40 6.363 3.141 -3.048 1.00 0.00 C ATOM 510 CD1 LEU A 40 5.059 3.810 -3.452 1.00 0.00 C ATOM 511 CD2 LEU A 40 6.963 3.830 -1.831 1.00 0.00 C ATOM 0 H LEU A 40 7.259 0.683 -4.731 1.00 0.00 H new ATOM 0 HA LEU A 40 8.201 1.400 -2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.519 1.243 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.569 1.564 -1.840 1.00 0.00 H new ATOM 0 HG LEU A 40 7.066 3.232 -3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.238 4.867 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.669 3.334 -4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.333 3.710 -2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.117 4.887 -2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.284 3.730 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.919 3.368 -1.586 1.00 0.00 H new ATOM 523 N ALA A 41 7.708 -0.327 -0.515 1.00 0.00 N ATOM 524 CA ALA A 41 7.532 -1.389 0.467 1.00 0.00 C ATOM 525 C ALA A 41 7.727 -0.864 1.885 1.00 0.00 C ATOM 526 O ALA A 41 8.580 -0.011 2.130 1.00 0.00 O ATOM 527 CB ALA A 41 8.496 -2.532 0.188 1.00 0.00 C ATOM 0 H ALA A 41 8.298 0.444 -0.202 1.00 0.00 H new ATOM 0 HA ALA A 41 6.511 -1.761 0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.353 -3.318 0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.306 -2.933 -0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.521 -2.165 0.242 1.00 0.00 H new ATOM 533 N VAL A 42 6.931 -1.379 2.817 1.00 0.00 N ATOM 534 CA VAL A 42 7.018 -0.961 4.212 1.00 0.00 C ATOM 535 C VAL A 42 8.470 -0.839 4.660 1.00 0.00 C ATOM 536 O VAL A 42 9.300 -1.692 4.347 1.00 0.00 O ATOM 537 CB VAL A 42 6.287 -1.950 5.139 1.00 0.00 C ATOM 538 CG1 VAL A 42 6.404 -1.508 6.590 1.00 0.00 C ATOM 539 CG2 VAL A 42 4.828 -2.085 4.731 1.00 0.00 C ATOM 0 H VAL A 42 6.219 -2.086 2.632 1.00 0.00 H new ATOM 0 HA VAL A 42 6.537 0.015 4.281 1.00 0.00 H new ATOM 0 HB VAL A 42 6.759 -2.928 5.042 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.881 -2.219 7.230 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.455 -1.468 6.875 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.959 -0.520 6.706 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.327 -2.788 5.397 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.340 -1.112 4.797 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.769 -2.452 3.706 1.00 0.00 H new ATOM 549 N ARG A 43 8.768 0.227 5.394 1.00 0.00 N ATOM 550 CA ARG A 43 10.121 0.462 5.886 1.00 0.00 C ATOM 551 C ARG A 43 10.186 0.293 7.401 1.00 0.00 C ATOM 552 O ARG A 43 10.803 -0.645 7.904 1.00 0.00 O ATOM 553 CB ARG A 43 10.590 1.866 5.498 1.00 0.00 C ATOM 554 CG ARG A 43 12.101 2.034 5.534 1.00 0.00 C ATOM 555 CD ARG A 43 12.598 2.300 6.946 1.00 0.00 C ATOM 556 NE ARG A 43 12.911 1.063 7.658 1.00 0.00 N ATOM 557 CZ ARG A 43 13.440 1.030 8.876 1.00 0.00 C ATOM 558 NH1 ARG A 43 13.714 2.160 9.514 1.00 0.00 N ATOM 559 NH2 ARG A 43 13.696 -0.134 9.458 1.00 0.00 N ATOM 0 H ARG A 43 8.092 0.942 5.662 1.00 0.00 H new ATOM 0 HA ARG A 43 10.781 -0.274 5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.231 2.096 4.495 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.136 2.591 6.173 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.578 1.135 5.143 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.392 2.858 4.883 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.487 2.930 6.905 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.840 2.855 7.499 1.00 0.00 H new ATOM 0 HE ARG A 43 12.712 0.176 7.194 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.519 3.057 9.069 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.120 2.132 10.449 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.487 -1.005 8.970 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.102 -0.158 10.393 1.00 0.00 H new ATOM 573 N GLY A 44 9.545 1.207 8.122 1.00 0.00 N ATOM 574 CA GLY A 44 9.543 1.141 9.571 1.00 0.00 C ATOM 575 C GLY A 44 8.148 0.985 10.143 1.00 0.00 C ATOM 576 O GLY A 44 7.173 1.463 9.561 1.00 0.00 O ATOM 0 H GLY A 44 9.027 1.992 7.728 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.161 0.303 9.894 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.998 2.046 9.973 1.00 0.00 H new ATOM 580 N LEU A 45 8.050 0.311 11.284 1.00 0.00 N ATOM 581 CA LEU A 45 6.763 0.091 11.934 1.00 0.00 C ATOM 582 C LEU A 45 6.735 0.732 13.318 1.00 0.00 C ATOM 583 O LEU A 45 7.368 0.241 14.254 1.00 0.00 O ATOM 584 CB LEU A 45 6.477 -1.408 12.048 1.00 0.00 C ATOM 585 CG LEU A 45 5.766 -2.048 10.855 1.00 0.00 C ATOM 586 CD1 LEU A 45 5.709 -3.559 11.016 1.00 0.00 C ATOM 587 CD2 LEU A 45 4.366 -1.473 10.698 1.00 0.00 C ATOM 0 H LEU A 45 8.846 -0.092 11.778 1.00 0.00 H new ATOM 0 HA LEU A 45 5.990 0.557 11.322 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.423 -1.927 12.203 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.872 -1.575 12.939 1.00 0.00 H new ATOM 0 HG LEU A 45 6.334 -1.821 9.953 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.200 -3.997 10.158 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.722 -3.957 11.079 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.165 -3.808 11.927 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.875 -1.940 9.844 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.788 -1.670 11.601 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.431 -0.397 10.536 1.00 0.00 H new ATOM 599 N LEU A 46 5.997 1.829 13.441 1.00 0.00 N ATOM 600 CA LEU A 46 5.884 2.537 14.712 1.00 0.00 C ATOM 601 C LEU A 46 5.378 1.607 15.810 1.00 0.00 C ATOM 602 O LEU A 46 4.231 1.161 15.781 1.00 0.00 O ATOM 603 CB LEU A 46 4.944 3.735 14.569 1.00 0.00 C ATOM 604 CG LEU A 46 5.227 4.924 15.488 1.00 0.00 C ATOM 605 CD1 LEU A 46 4.778 6.222 14.835 1.00 0.00 C ATOM 606 CD2 LEU A 46 4.539 4.735 16.832 1.00 0.00 C ATOM 0 H LEU A 46 5.468 2.248 12.676 1.00 0.00 H new ATOM 0 HA LEU A 46 6.876 2.893 14.991 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.985 4.082 13.536 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.925 3.395 14.751 1.00 0.00 H new ATOM 0 HG LEU A 46 6.302 4.980 15.658 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.987 7.057 15.504 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.317 6.363 13.898 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.708 6.177 14.635 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.751 5.591 17.473 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.463 4.653 16.681 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.909 3.826 17.306 1.00 0.00 H new ATOM 618 N LYS A 47 6.240 1.321 16.779 1.00 0.00 N ATOM 619 CA LYS A 47 5.881 0.447 17.890 1.00 0.00 C ATOM 620 C LYS A 47 4.557 0.876 18.513 1.00 0.00 C ATOM 621 O LYS A 47 4.137 2.025 18.373 1.00 0.00 O ATOM 622 CB LYS A 47 6.984 0.458 18.951 1.00 0.00 C ATOM 623 CG LYS A 47 6.757 -0.540 20.074 1.00 0.00 C ATOM 624 CD LYS A 47 6.649 -1.960 19.545 1.00 0.00 C ATOM 625 CE LYS A 47 7.913 -2.379 18.809 1.00 0.00 C ATOM 626 NZ LYS A 47 9.108 -2.344 19.697 1.00 0.00 N ATOM 0 H LYS A 47 7.193 1.682 16.818 1.00 0.00 H new ATOM 0 HA LYS A 47 5.769 -0.565 17.502 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.939 0.243 18.472 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.059 1.459 19.375 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.578 -0.478 20.788 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.846 -0.281 20.613 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.465 -2.645 20.373 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.794 -2.035 18.873 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.785 -3.386 18.411 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.074 -1.718 17.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.912 -2.793 19.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.346 -1.356 19.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.901 -2.858 20.577 1.00 0.00 H new ATOM 640 N ASP A 48 3.905 -0.053 19.203 1.00 0.00 N ATOM 641 CA ASP A 48 2.629 0.231 19.851 1.00 0.00 C ATOM 642 C ASP A 48 1.662 0.899 18.878 1.00 0.00 C ATOM 643 O ASP A 48 0.822 1.704 19.277 1.00 0.00 O ATOM 644 CB ASP A 48 2.841 1.125 21.074 1.00 0.00 C ATOM 645 CG ASP A 48 3.195 2.549 20.695 1.00 0.00 C ATOM 646 OD1 ASP A 48 2.269 3.327 20.380 1.00 0.00 O ATOM 647 OD2 ASP A 48 4.396 2.887 20.714 1.00 0.00 O ATOM 0 H ASP A 48 4.238 -1.009 19.328 1.00 0.00 H new ATOM 0 HA ASP A 48 2.195 -0.715 20.174 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.935 1.128 21.680 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.636 0.708 21.692 1.00 0.00 H new ATOM 652 N GLY A 49 1.789 0.560 17.599 1.00 0.00 N ATOM 653 CA GLY A 49 0.921 1.137 16.589 1.00 0.00 C ATOM 654 C GLY A 49 -0.053 0.127 16.015 1.00 0.00 C ATOM 655 O GLY A 49 0.022 -1.070 16.297 1.00 0.00 O ATOM 0 H GLY A 49 2.477 -0.104 17.244 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.364 1.967 17.024 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.529 1.549 15.784 1.00 0.00 H new ATOM 659 N PRO A 50 -0.995 0.609 15.191 1.00 0.00 N ATOM 660 CA PRO A 50 -2.007 -0.243 14.561 1.00 0.00 C ATOM 661 C PRO A 50 -1.411 -1.163 13.500 1.00 0.00 C ATOM 662 O PRO A 50 -1.670 -2.366 13.492 1.00 0.00 O ATOM 663 CB PRO A 50 -2.967 0.761 13.919 1.00 0.00 C ATOM 664 CG PRO A 50 -2.141 1.979 13.687 1.00 0.00 C ATOM 665 CD PRO A 50 -1.144 2.024 14.811 1.00 0.00 C ATOM 0 HA PRO A 50 -2.484 -0.909 15.280 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.376 0.376 12.985 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.812 0.975 14.573 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.638 1.931 12.721 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.761 2.875 13.679 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.196 2.456 14.490 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.504 2.628 15.644 1.00 0.00 H new ATOM 673 N ALA A 51 -0.612 -0.589 12.607 1.00 0.00 N ATOM 674 CA ALA A 51 0.023 -1.358 11.544 1.00 0.00 C ATOM 675 C ALA A 51 1.027 -2.354 12.111 1.00 0.00 C ATOM 676 O ALA A 51 1.264 -3.411 11.527 1.00 0.00 O ATOM 677 CB ALA A 51 0.703 -0.426 10.552 1.00 0.00 C ATOM 0 H ALA A 51 -0.389 0.406 12.599 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.752 -1.921 11.024 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.173 -1.014 9.764 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.038 0.242 10.113 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.462 0.163 11.067 1.00 0.00 H new ATOM 683 N GLN A 52 1.615 -2.010 13.252 1.00 0.00 N ATOM 684 CA GLN A 52 2.596 -2.875 13.897 1.00 0.00 C ATOM 685 C GLN A 52 1.908 -3.947 14.736 1.00 0.00 C ATOM 686 O GLN A 52 2.393 -5.074 14.839 1.00 0.00 O ATOM 687 CB GLN A 52 3.537 -2.048 14.776 1.00 0.00 C ATOM 688 CG GLN A 52 4.327 -2.881 15.772 1.00 0.00 C ATOM 689 CD GLN A 52 3.507 -3.275 16.985 1.00 0.00 C ATOM 690 OE1 GLN A 52 2.797 -2.452 17.562 1.00 0.00 O ATOM 691 NE2 GLN A 52 3.600 -4.541 17.377 1.00 0.00 N ATOM 0 H GLN A 52 1.429 -1.139 13.749 1.00 0.00 H new ATOM 0 HA GLN A 52 3.178 -3.367 13.117 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.233 -1.504 14.137 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.954 -1.304 15.319 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.693 -3.781 15.278 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.202 -2.318 16.097 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.201 -5.189 16.869 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.070 -4.865 18.186 1.00 0.00 H new ATOM 700 N ARG A 53 0.777 -3.588 15.334 1.00 0.00 N ATOM 701 CA ARG A 53 0.023 -4.519 16.165 1.00 0.00 C ATOM 702 C ARG A 53 -0.647 -5.591 15.310 1.00 0.00 C ATOM 703 O ARG A 53 -0.545 -6.783 15.600 1.00 0.00 O ATOM 704 CB ARG A 53 -1.031 -3.769 16.981 1.00 0.00 C ATOM 705 CG ARG A 53 -0.491 -3.168 18.269 1.00 0.00 C ATOM 706 CD ARG A 53 -1.588 -2.481 19.066 1.00 0.00 C ATOM 707 NE ARG A 53 -2.521 -3.440 19.652 1.00 0.00 N ATOM 708 CZ ARG A 53 -3.771 -3.139 19.987 1.00 0.00 C ATOM 709 NH1 ARG A 53 -4.235 -1.912 19.794 1.00 0.00 N ATOM 710 NH2 ARG A 53 -4.559 -4.067 20.515 1.00 0.00 N ATOM 0 H ARG A 53 0.363 -2.659 15.259 1.00 0.00 H new ATOM 0 HA ARG A 53 0.721 -5.006 16.846 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.454 -2.973 16.368 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.845 -4.452 17.222 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.036 -3.952 18.875 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.295 -2.450 18.035 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.139 -1.881 19.858 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.133 -1.796 18.417 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.195 -4.393 19.813 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.632 -1.197 19.388 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.195 -1.683 20.052 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.205 -5.012 20.664 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.519 -3.835 20.772 1.00 0.00 H new ATOM 724 N CYS A 54 -1.333 -5.157 14.259 1.00 0.00 N ATOM 725 CA CYS A 54 -2.022 -6.079 13.362 1.00 0.00 C ATOM 726 C CYS A 54 -1.055 -7.118 12.802 1.00 0.00 C ATOM 727 O CYS A 54 -1.407 -8.285 12.641 1.00 0.00 O ATOM 728 CB CYS A 54 -2.684 -5.312 12.217 1.00 0.00 C ATOM 729 SG CYS A 54 -1.523 -4.408 11.166 1.00 0.00 S ATOM 0 H CYS A 54 -1.427 -4.173 14.007 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.791 -6.596 13.935 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.245 -6.014 11.600 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.404 -4.608 12.634 1.00 0.00 H new ATOM 0 HG CYS A 54 -0.371 -4.325 11.763 1.00 0.00 H new ATOM 735 N GLY A 55 0.166 -6.683 12.506 1.00 0.00 N ATOM 736 CA GLY A 55 1.165 -7.586 11.965 1.00 0.00 C ATOM 737 C GLY A 55 1.023 -7.778 10.468 1.00 0.00 C ATOM 738 O GLY A 55 2.018 -7.912 9.756 1.00 0.00 O ATOM 0 H GLY A 55 0.481 -5.721 12.631 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.159 -7.197 12.186 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.083 -8.553 12.462 1.00 0.00 H new ATOM 742 N ARG A 56 -0.217 -7.794 9.990 1.00 0.00 N ATOM 743 CA ARG A 56 -0.486 -7.974 8.569 1.00 0.00 C ATOM 744 C ARG A 56 0.600 -7.316 7.722 1.00 0.00 C ATOM 745 O ARG A 56 1.020 -7.859 6.700 1.00 0.00 O ATOM 746 CB ARG A 56 -1.853 -7.391 8.208 1.00 0.00 C ATOM 747 CG ARG A 56 -3.022 -8.205 8.739 1.00 0.00 C ATOM 748 CD ARG A 56 -4.354 -7.632 8.280 1.00 0.00 C ATOM 749 NE ARG A 56 -5.464 -8.098 9.106 1.00 0.00 N ATOM 750 CZ ARG A 56 -6.056 -9.276 8.944 1.00 0.00 C ATOM 751 NH1 ARG A 56 -5.646 -10.103 7.992 1.00 0.00 N ATOM 752 NH2 ARG A 56 -7.061 -9.630 9.735 1.00 0.00 N ATOM 0 H ARG A 56 -1.051 -7.684 10.567 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.489 -9.044 8.359 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.920 -6.376 8.599 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.933 -7.320 7.123 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.932 -9.237 8.400 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.989 -8.224 9.828 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.311 -6.543 8.312 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.531 -7.914 7.242 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.803 -7.486 9.848 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.874 -9.835 7.382 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.103 -11.007 7.870 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.380 -8.997 10.469 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.515 -10.535 9.609 1.00 0.00 H new ATOM 766 N LEU A 57 1.049 -6.142 8.154 1.00 0.00 N ATOM 767 CA LEU A 57 2.085 -5.408 7.437 1.00 0.00 C ATOM 768 C LEU A 57 3.461 -5.681 8.037 1.00 0.00 C ATOM 769 O LEU A 57 3.632 -5.659 9.255 1.00 0.00 O ATOM 770 CB LEU A 57 1.791 -3.908 7.470 1.00 0.00 C ATOM 771 CG LEU A 57 0.424 -3.480 6.934 1.00 0.00 C ATOM 772 CD1 LEU A 57 0.215 -1.987 7.133 1.00 0.00 C ATOM 773 CD2 LEU A 57 0.287 -3.848 5.464 1.00 0.00 C ATOM 0 H LEU A 57 0.711 -5.679 8.998 1.00 0.00 H new ATOM 0 HA LEU A 57 2.086 -5.749 6.402 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.879 -3.563 8.500 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.561 -3.394 6.895 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.346 -4.011 7.494 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.763 -1.702 6.745 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.267 -1.751 8.196 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.991 -1.437 6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.692 -3.536 5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.065 -3.346 4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.390 -4.927 5.348 1.00 0.00 H new ATOM 785 N GLU A 58 4.438 -5.937 7.173 1.00 0.00 N ATOM 786 CA GLU A 58 5.799 -6.213 7.618 1.00 0.00 C ATOM 787 C GLU A 58 6.814 -5.464 6.761 1.00 0.00 C ATOM 788 O GLU A 58 6.524 -5.079 5.628 1.00 0.00 O ATOM 789 CB GLU A 58 6.081 -7.716 7.567 1.00 0.00 C ATOM 790 CG GLU A 58 5.467 -8.490 8.721 1.00 0.00 C ATOM 791 CD GLU A 58 5.828 -9.963 8.693 1.00 0.00 C ATOM 792 OE1 GLU A 58 7.005 -10.292 8.947 1.00 0.00 O ATOM 793 OE2 GLU A 58 4.931 -10.787 8.416 1.00 0.00 O ATOM 0 H GLU A 58 4.313 -5.959 6.161 1.00 0.00 H new ATOM 0 HA GLU A 58 5.894 -5.868 8.647 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.700 -8.117 6.628 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.159 -7.875 7.567 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.801 -8.056 9.663 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.383 -8.385 8.688 1.00 0.00 H new ATOM 800 N VAL A 59 8.008 -5.259 7.310 1.00 0.00 N ATOM 801 CA VAL A 59 9.067 -4.557 6.597 1.00 0.00 C ATOM 802 C VAL A 59 9.540 -5.356 5.388 1.00 0.00 C ATOM 803 O VAL A 59 10.156 -6.412 5.530 1.00 0.00 O ATOM 804 CB VAL A 59 10.272 -4.277 7.515 1.00 0.00 C ATOM 805 CG1 VAL A 59 11.404 -3.632 6.730 1.00 0.00 C ATOM 806 CG2 VAL A 59 9.856 -3.398 8.685 1.00 0.00 C ATOM 0 H VAL A 59 8.265 -5.570 8.247 1.00 0.00 H new ATOM 0 HA VAL A 59 8.647 -3.609 6.261 1.00 0.00 H new ATOM 0 HB VAL A 59 10.632 -5.226 7.912 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.246 -3.442 7.395 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.718 -4.301 5.929 1.00 0.00 H new ATOM 0 HG13 VAL A 59 11.060 -2.690 6.302 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.719 -3.210 9.324 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.469 -2.451 8.309 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.081 -3.903 9.262 1.00 0.00 H new ATOM 816 N GLY A 60 9.246 -4.845 4.196 1.00 0.00 N ATOM 817 CA GLY A 60 9.649 -5.525 2.978 1.00 0.00 C ATOM 818 C GLY A 60 8.470 -5.864 2.087 1.00 0.00 C ATOM 819 O GLY A 60 8.648 -6.255 0.933 1.00 0.00 O ATOM 0 H GLY A 60 8.736 -3.973 4.052 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.347 -4.895 2.427 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.181 -6.441 3.236 1.00 0.00 H new ATOM 823 N ASP A 61 7.264 -5.716 2.623 1.00 0.00 N ATOM 824 CA ASP A 61 6.051 -6.010 1.869 1.00 0.00 C ATOM 825 C ASP A 61 5.952 -5.124 0.631 1.00 0.00 C ATOM 826 O ASP A 61 6.337 -3.954 0.659 1.00 0.00 O ATOM 827 CB ASP A 61 4.816 -5.815 2.750 1.00 0.00 C ATOM 828 CG ASP A 61 4.511 -7.034 3.598 1.00 0.00 C ATOM 829 OD1 ASP A 61 4.001 -8.031 3.043 1.00 0.00 O ATOM 830 OD2 ASP A 61 4.783 -6.993 4.816 1.00 0.00 O ATOM 0 H ASP A 61 7.100 -5.394 3.577 1.00 0.00 H new ATOM 0 HA ASP A 61 6.097 -7.050 1.547 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.969 -4.953 3.400 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.956 -5.590 2.120 1.00 0.00 H new ATOM 835 N LEU A 62 5.436 -5.689 -0.455 1.00 0.00 N ATOM 836 CA LEU A 62 5.288 -4.951 -1.705 1.00 0.00 C ATOM 837 C LEU A 62 3.903 -4.318 -1.802 1.00 0.00 C ATOM 838 O LEU A 62 2.893 -4.966 -1.529 1.00 0.00 O ATOM 839 CB LEU A 62 5.523 -5.878 -2.899 1.00 0.00 C ATOM 840 CG LEU A 62 6.779 -6.748 -2.836 1.00 0.00 C ATOM 841 CD1 LEU A 62 6.837 -7.689 -4.029 1.00 0.00 C ATOM 842 CD2 LEU A 62 8.027 -5.879 -2.778 1.00 0.00 C ATOM 0 H LEU A 62 5.113 -6.656 -0.495 1.00 0.00 H new ATOM 0 HA LEU A 62 6.033 -4.155 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.657 -6.532 -3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.572 -5.269 -3.802 1.00 0.00 H new ATOM 0 HG LEU A 62 6.737 -7.349 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.737 -8.300 -3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.959 -8.335 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.856 -7.107 -4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.911 -6.515 -2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.075 -5.252 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.989 -5.247 -1.891 1.00 0.00 H new ATOM 854 N VAL A 63 3.865 -3.049 -2.196 1.00 0.00 N ATOM 855 CA VAL A 63 2.604 -2.330 -2.334 1.00 0.00 C ATOM 856 C VAL A 63 2.156 -2.279 -3.790 1.00 0.00 C ATOM 857 O VAL A 63 2.893 -1.816 -4.662 1.00 0.00 O ATOM 858 CB VAL A 63 2.717 -0.892 -1.793 1.00 0.00 C ATOM 859 CG1 VAL A 63 1.351 -0.223 -1.765 1.00 0.00 C ATOM 860 CG2 VAL A 63 3.349 -0.892 -0.409 1.00 0.00 C ATOM 0 H VAL A 63 4.692 -2.498 -2.425 1.00 0.00 H new ATOM 0 HA VAL A 63 1.863 -2.875 -1.748 1.00 0.00 H new ATOM 0 HB VAL A 63 3.361 -0.320 -2.461 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.451 0.792 -1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.941 -0.190 -2.775 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.681 -0.791 -1.120 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.421 0.132 -0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.733 -1.479 0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.346 -1.329 -0.464 1.00 0.00 H new ATOM 870 N LEU A 64 0.944 -2.759 -4.047 1.00 0.00 N ATOM 871 CA LEU A 64 0.396 -2.768 -5.399 1.00 0.00 C ATOM 872 C LEU A 64 -0.531 -1.577 -5.620 1.00 0.00 C ATOM 873 O LEU A 64 -0.416 -0.864 -6.617 1.00 0.00 O ATOM 874 CB LEU A 64 -0.361 -4.072 -5.655 1.00 0.00 C ATOM 875 CG LEU A 64 0.485 -5.345 -5.684 1.00 0.00 C ATOM 876 CD1 LEU A 64 1.286 -5.424 -6.974 1.00 0.00 C ATOM 877 CD2 LEU A 64 1.409 -5.399 -4.476 1.00 0.00 C ATOM 0 H LEU A 64 0.322 -3.147 -3.337 1.00 0.00 H new ATOM 0 HA LEU A 64 1.227 -2.693 -6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.123 -4.184 -4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.883 -3.985 -6.608 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.184 -6.204 -5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.882 -6.337 -6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.605 -5.433 -7.825 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.946 -4.559 -7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.004 -6.312 -4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.072 -4.534 -4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.814 -5.390 -3.562 1.00 0.00 H new ATOM 889 N HIS A 65 -1.448 -1.366 -4.681 1.00 0.00 N ATOM 890 CA HIS A 65 -2.393 -0.258 -4.771 1.00 0.00 C ATOM 891 C HIS A 65 -2.674 0.329 -3.391 1.00 0.00 C ATOM 892 O HIS A 65 -2.177 -0.169 -2.381 1.00 0.00 O ATOM 893 CB HIS A 65 -3.699 -0.726 -5.415 1.00 0.00 C ATOM 894 CG HIS A 65 -3.514 -1.333 -6.771 1.00 0.00 C ATOM 895 ND1 HIS A 65 -2.681 -0.795 -7.729 1.00 0.00 N ATOM 896 CD2 HIS A 65 -4.060 -2.440 -7.328 1.00 0.00 C ATOM 897 CE1 HIS A 65 -2.723 -1.544 -8.817 1.00 0.00 C ATOM 898 NE2 HIS A 65 -3.552 -2.549 -8.599 1.00 0.00 N ATOM 0 H HIS A 65 -1.557 -1.947 -3.850 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.948 0.519 -5.393 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -4.176 -1.456 -4.761 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.379 0.122 -5.495 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.764 -3.112 -6.860 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.173 -1.365 -9.729 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -3.778 -3.286 -9.267 1.00 0.00 H new ATOM 907 N ILE A 66 -3.473 1.391 -3.358 1.00 0.00 N ATOM 908 CA ILE A 66 -3.819 2.046 -2.102 1.00 0.00 C ATOM 909 C ILE A 66 -5.165 2.756 -2.206 1.00 0.00 C ATOM 910 O ILE A 66 -5.396 3.537 -3.127 1.00 0.00 O ATOM 911 CB ILE A 66 -2.744 3.066 -1.684 1.00 0.00 C ATOM 912 CG1 ILE A 66 -1.388 2.374 -1.525 1.00 0.00 C ATOM 913 CG2 ILE A 66 -3.146 3.758 -0.390 1.00 0.00 C ATOM 914 CD1 ILE A 66 -0.263 3.324 -1.180 1.00 0.00 C ATOM 0 H ILE A 66 -3.892 1.815 -4.185 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.880 1.265 -1.344 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.656 3.821 -2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.465 1.616 -0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.143 1.855 -2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.376 4.476 -0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.093 4.279 -0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.257 3.016 0.400 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.668 2.765 -1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.159 4.067 -1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.486 3.825 -0.238 1.00 0.00 H new ATOM 926 N ASN A 67 -6.049 2.479 -1.252 1.00 0.00 N ATOM 927 CA ASN A 67 -7.372 3.093 -1.235 1.00 0.00 C ATOM 928 C ASN A 67 -8.018 3.029 -2.616 1.00 0.00 C ATOM 929 O ASN A 67 -8.536 4.026 -3.117 1.00 0.00 O ATOM 930 CB ASN A 67 -7.276 4.547 -0.771 1.00 0.00 C ATOM 931 CG ASN A 67 -7.223 4.670 0.739 1.00 0.00 C ATOM 932 OD1 ASN A 67 -8.145 4.252 1.440 1.00 0.00 O ATOM 933 ND2 ASN A 67 -6.140 5.246 1.249 1.00 0.00 N ATOM 0 H ASN A 67 -5.873 1.834 -0.482 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.995 2.536 -0.535 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.385 5.005 -1.201 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.134 5.103 -1.148 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.049 5.356 2.259 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.400 5.578 0.631 1.00 0.00 H new ATOM 940 N GLY A 68 -7.985 1.848 -3.225 1.00 0.00 N ATOM 941 CA GLY A 68 -8.572 1.675 -4.541 1.00 0.00 C ATOM 942 C GLY A 68 -7.901 2.537 -5.592 1.00 0.00 C ATOM 943 O GLY A 68 -8.487 2.822 -6.636 1.00 0.00 O ATOM 0 H GLY A 68 -7.562 1.008 -2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.499 0.628 -4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.633 1.920 -4.497 1.00 0.00 H new ATOM 947 N GLU A 69 -6.670 2.955 -5.315 1.00 0.00 N ATOM 948 CA GLU A 69 -5.921 3.792 -6.245 1.00 0.00 C ATOM 949 C GLU A 69 -4.689 3.058 -6.767 1.00 0.00 C ATOM 950 O GLU A 69 -3.952 2.437 -6.000 1.00 0.00 O ATOM 951 CB GLU A 69 -5.501 5.097 -5.566 1.00 0.00 C ATOM 952 CG GLU A 69 -4.878 6.105 -6.518 1.00 0.00 C ATOM 953 CD GLU A 69 -5.914 6.849 -7.339 1.00 0.00 C ATOM 954 OE1 GLU A 69 -7.109 6.791 -6.979 1.00 0.00 O ATOM 955 OE2 GLU A 69 -5.530 7.488 -8.340 1.00 0.00 O ATOM 0 H GLU A 69 -6.171 2.728 -4.455 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.570 4.023 -7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.373 5.548 -5.093 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.789 4.871 -4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.289 6.822 -5.947 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.190 5.589 -7.188 1.00 0.00 H new ATOM 962 N SER A 70 -4.472 3.133 -8.076 1.00 0.00 N ATOM 963 CA SER A 70 -3.333 2.472 -8.702 1.00 0.00 C ATOM 964 C SER A 70 -2.061 3.296 -8.521 1.00 0.00 C ATOM 965 O SER A 70 -1.994 4.456 -8.930 1.00 0.00 O ATOM 966 CB SER A 70 -3.601 2.248 -10.191 1.00 0.00 C ATOM 967 OG SER A 70 -3.167 3.356 -10.960 1.00 0.00 O ATOM 0 H SER A 70 -5.070 3.645 -8.724 1.00 0.00 H new ATOM 0 HA SER A 70 -3.193 1.506 -8.216 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.087 1.346 -10.524 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.667 2.085 -10.351 1.00 0.00 H new ATOM 0 HG SER A 70 -2.984 4.114 -10.367 1.00 0.00 H new ATOM 973 N THR A 71 -1.052 2.687 -7.905 1.00 0.00 N ATOM 974 CA THR A 71 0.217 3.363 -7.668 1.00 0.00 C ATOM 975 C THR A 71 1.140 3.238 -8.875 1.00 0.00 C ATOM 976 O THR A 71 2.315 3.599 -8.808 1.00 0.00 O ATOM 977 CB THR A 71 0.933 2.794 -6.428 1.00 0.00 C ATOM 978 OG1 THR A 71 2.102 3.569 -6.139 1.00 0.00 O ATOM 979 CG2 THR A 71 1.323 1.340 -6.647 1.00 0.00 C ATOM 0 H THR A 71 -1.090 1.727 -7.562 1.00 0.00 H new ATOM 0 HA THR A 71 -0.012 4.415 -7.496 1.00 0.00 H new ATOM 0 HB THR A 71 0.246 2.845 -5.584 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.507 3.875 -6.977 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.827 0.961 -5.758 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.428 0.748 -6.837 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.994 1.268 -7.503 1.00 0.00 H new ATOM 987 N GLN A 72 0.600 2.725 -9.976 1.00 0.00 N ATOM 988 CA GLN A 72 1.377 2.553 -11.198 1.00 0.00 C ATOM 989 C GLN A 72 1.964 3.883 -11.661 1.00 0.00 C ATOM 990 O GLN A 72 2.908 3.915 -12.449 1.00 0.00 O ATOM 991 CB GLN A 72 0.504 1.955 -12.302 1.00 0.00 C ATOM 992 CG GLN A 72 0.095 0.514 -12.041 1.00 0.00 C ATOM 993 CD GLN A 72 1.257 -0.453 -12.158 1.00 0.00 C ATOM 994 OE1 GLN A 72 1.819 -0.891 -11.154 1.00 0.00 O ATOM 995 NE2 GLN A 72 1.624 -0.791 -13.389 1.00 0.00 N ATOM 0 H GLN A 72 -0.371 2.422 -10.047 1.00 0.00 H new ATOM 0 HA GLN A 72 2.198 1.869 -10.984 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.393 2.564 -12.414 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.044 2.005 -13.248 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.337 0.438 -11.043 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.684 0.228 -12.748 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.130 -0.404 -14.193 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.400 -1.438 -13.530 1.00 0.00 H new ATOM 1004 N GLY A 73 1.397 4.979 -11.166 1.00 0.00 N ATOM 1005 CA GLY A 73 1.877 6.296 -11.541 1.00 0.00 C ATOM 1006 C GLY A 73 1.951 7.244 -10.361 1.00 0.00 C ATOM 1007 O GLY A 73 1.855 8.461 -10.525 1.00 0.00 O ATOM 0 H GLY A 73 0.614 4.978 -10.512 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.865 6.204 -11.992 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.218 6.717 -12.300 1.00 0.00 H new ATOM 1011 N LEU A 74 2.121 6.687 -9.167 1.00 0.00 N ATOM 1012 CA LEU A 74 2.206 7.492 -7.953 1.00 0.00 C ATOM 1013 C LEU A 74 3.571 7.334 -7.290 1.00 0.00 C ATOM 1014 O LEU A 74 4.005 6.220 -6.994 1.00 0.00 O ATOM 1015 CB LEU A 74 1.101 7.091 -6.973 1.00 0.00 C ATOM 1016 CG LEU A 74 -0.334 7.281 -7.466 1.00 0.00 C ATOM 1017 CD1 LEU A 74 -1.321 6.675 -6.481 1.00 0.00 C ATOM 1018 CD2 LEU A 74 -0.632 8.757 -7.683 1.00 0.00 C ATOM 0 H LEU A 74 2.203 5.682 -9.013 1.00 0.00 H new ATOM 0 HA LEU A 74 2.076 8.538 -8.230 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.238 6.042 -6.711 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.229 7.667 -6.057 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.442 6.765 -8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.337 6.820 -6.848 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.122 5.609 -6.376 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.213 7.162 -5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.657 8.873 -8.034 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.506 9.295 -6.744 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.054 9.161 -8.427 1.00 0.00 H new ATOM 1030 N THR A 75 4.243 8.457 -7.057 1.00 0.00 N ATOM 1031 CA THR A 75 5.558 8.444 -6.428 1.00 0.00 C ATOM 1032 C THR A 75 5.442 8.294 -4.915 1.00 0.00 C ATOM 1033 O THR A 75 4.348 8.370 -4.356 1.00 0.00 O ATOM 1034 CB THR A 75 6.346 9.728 -6.747 1.00 0.00 C ATOM 1035 OG1 THR A 75 5.512 10.876 -6.550 1.00 0.00 O ATOM 1036 CG2 THR A 75 6.859 9.707 -8.179 1.00 0.00 C ATOM 0 H THR A 75 3.898 9.387 -7.294 1.00 0.00 H new ATOM 0 HA THR A 75 6.095 7.587 -6.835 1.00 0.00 H new ATOM 0 HB THR A 75 7.201 9.780 -6.073 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.021 11.689 -6.753 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.412 10.624 -8.381 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.516 8.849 -8.317 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.016 9.633 -8.866 1.00 0.00 H new ATOM 1044 N HIS A 76 6.578 8.081 -4.258 1.00 0.00 N ATOM 1045 CA HIS A 76 6.604 7.922 -2.808 1.00 0.00 C ATOM 1046 C HIS A 76 5.675 8.929 -2.135 1.00 0.00 C ATOM 1047 O HIS A 76 4.851 8.563 -1.297 1.00 0.00 O ATOM 1048 CB HIS A 76 8.029 8.093 -2.280 1.00 0.00 C ATOM 1049 CG HIS A 76 8.089 8.508 -0.843 1.00 0.00 C ATOM 1050 ND1 HIS A 76 8.305 9.811 -0.444 1.00 0.00 N ATOM 1051 CD2 HIS A 76 7.959 7.785 0.294 1.00 0.00 C ATOM 1052 CE1 HIS A 76 8.306 9.870 0.875 1.00 0.00 C ATOM 1053 NE2 HIS A 76 8.098 8.654 1.348 1.00 0.00 N ATOM 0 H HIS A 76 7.492 8.015 -4.706 1.00 0.00 H new ATOM 0 HA HIS A 76 6.255 6.917 -2.571 1.00 0.00 H new ATOM 0 HB2 HIS A 76 8.568 7.153 -2.401 1.00 0.00 H new ATOM 0 HB3 HIS A 76 8.546 8.837 -2.886 1.00 0.00 H new ATOM 0 HD2 HIS A 76 7.779 6.722 0.360 1.00 0.00 H new ATOM 0 HE1 HIS A 76 8.452 10.761 1.467 1.00 0.00 H new ATOM 0 HE2 HIS A 76 8.049 8.402 2.335 1.00 0.00 H new ATOM 1062 N ALA A 77 5.816 10.197 -2.506 1.00 0.00 N ATOM 1063 CA ALA A 77 4.989 11.255 -1.939 1.00 0.00 C ATOM 1064 C ALA A 77 3.508 10.977 -2.169 1.00 0.00 C ATOM 1065 O ALA A 77 2.691 11.125 -1.260 1.00 0.00 O ATOM 1066 CB ALA A 77 5.375 12.601 -2.534 1.00 0.00 C ATOM 0 H ALA A 77 6.495 10.517 -3.197 1.00 0.00 H new ATOM 0 HA ALA A 77 5.163 11.282 -0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.750 13.382 -2.102 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.422 12.810 -2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.230 12.576 -3.614 1.00 0.00 H new ATOM 1072 N GLN A 78 3.169 10.575 -3.390 1.00 0.00 N ATOM 1073 CA GLN A 78 1.784 10.278 -3.739 1.00 0.00 C ATOM 1074 C GLN A 78 1.258 9.102 -2.923 1.00 0.00 C ATOM 1075 O GLN A 78 0.251 9.219 -2.225 1.00 0.00 O ATOM 1076 CB GLN A 78 1.667 9.972 -5.233 1.00 0.00 C ATOM 1077 CG GLN A 78 1.886 11.186 -6.121 1.00 0.00 C ATOM 1078 CD GLN A 78 0.628 12.012 -6.302 1.00 0.00 C ATOM 1079 OE1 GLN A 78 -0.484 11.519 -6.115 1.00 0.00 O ATOM 1080 NE2 GLN A 78 0.798 13.278 -6.667 1.00 0.00 N ATOM 0 H GLN A 78 3.833 10.448 -4.153 1.00 0.00 H new ATOM 0 HA GLN A 78 1.180 11.156 -3.508 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.394 9.204 -5.496 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.679 9.558 -5.434 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.667 11.811 -5.689 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.244 10.858 -7.097 1.00 0.00 H new ATOM 0 HE21 GLN A 78 1.739 13.645 -6.811 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.012 13.883 -6.803 1.00 0.00 H new ATOM 1089 N ALA A 79 1.944 7.968 -3.018 1.00 0.00 N ATOM 1090 CA ALA A 79 1.547 6.771 -2.288 1.00 0.00 C ATOM 1091 C ALA A 79 1.352 7.071 -0.806 1.00 0.00 C ATOM 1092 O ALA A 79 0.733 6.292 -0.080 1.00 0.00 O ATOM 1093 CB ALA A 79 2.582 5.671 -2.474 1.00 0.00 C ATOM 0 H ALA A 79 2.778 7.853 -3.594 1.00 0.00 H new ATOM 0 HA ALA A 79 0.594 6.430 -2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.272 4.783 -1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.669 5.429 -3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.547 6.012 -2.099 1.00 0.00 H new ATOM 1099 N VAL A 80 1.884 8.205 -0.361 1.00 0.00 N ATOM 1100 CA VAL A 80 1.769 8.608 1.035 1.00 0.00 C ATOM 1101 C VAL A 80 0.538 9.480 1.255 1.00 0.00 C ATOM 1102 O VAL A 80 -0.124 9.388 2.288 1.00 0.00 O ATOM 1103 CB VAL A 80 3.019 9.376 1.503 1.00 0.00 C ATOM 1104 CG1 VAL A 80 2.777 10.012 2.863 1.00 0.00 C ATOM 1105 CG2 VAL A 80 4.227 8.452 1.545 1.00 0.00 C ATOM 0 H VAL A 80 2.399 8.861 -0.948 1.00 0.00 H new ATOM 0 HA VAL A 80 1.673 7.694 1.621 1.00 0.00 H new ATOM 0 HB VAL A 80 3.224 10.172 0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.671 10.550 3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.940 10.707 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.546 9.235 3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.101 9.011 1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.035 7.633 2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.412 8.049 0.549 1.00 0.00 H new ATOM 1115 N GLU A 81 0.237 10.327 0.275 1.00 0.00 N ATOM 1116 CA GLU A 81 -0.915 11.217 0.363 1.00 0.00 C ATOM 1117 C GLU A 81 -2.219 10.431 0.253 1.00 0.00 C ATOM 1118 O GLU A 81 -3.183 10.705 0.968 1.00 0.00 O ATOM 1119 CB GLU A 81 -0.852 12.279 -0.737 1.00 0.00 C ATOM 1120 CG GLU A 81 -1.540 11.861 -2.026 1.00 0.00 C ATOM 1121 CD GLU A 81 -1.241 12.801 -3.178 1.00 0.00 C ATOM 1122 OE1 GLU A 81 -0.262 13.569 -3.079 1.00 0.00 O ATOM 1123 OE2 GLU A 81 -1.987 12.767 -4.179 1.00 0.00 O ATOM 0 H GLU A 81 0.774 10.415 -0.588 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.889 11.709 1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.312 13.197 -0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.192 12.508 -0.950 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.222 10.853 -2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.617 11.823 -1.863 1.00 0.00 H new ATOM 1130 N ARG A 82 -2.240 9.455 -0.648 1.00 0.00 N ATOM 1131 CA ARG A 82 -3.425 8.631 -0.854 1.00 0.00 C ATOM 1132 C ARG A 82 -3.889 8.009 0.460 1.00 0.00 C ATOM 1133 O ARG A 82 -5.080 7.762 0.654 1.00 0.00 O ATOM 1134 CB ARG A 82 -3.136 7.531 -1.877 1.00 0.00 C ATOM 1135 CG ARG A 82 -2.787 8.060 -3.258 1.00 0.00 C ATOM 1136 CD ARG A 82 -3.929 8.874 -3.848 1.00 0.00 C ATOM 1137 NE ARG A 82 -5.215 8.197 -3.703 1.00 0.00 N ATOM 1138 CZ ARG A 82 -6.385 8.789 -3.917 1.00 0.00 C ATOM 1139 NH1 ARG A 82 -6.430 10.062 -4.285 1.00 0.00 N ATOM 1140 NH2 ARG A 82 -7.513 8.107 -3.764 1.00 0.00 N ATOM 0 H ARG A 82 -1.450 9.215 -1.247 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.221 9.271 -1.234 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.312 6.916 -1.514 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.008 6.882 -1.956 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.892 8.679 -3.196 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.553 7.226 -3.920 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -3.973 9.846 -3.356 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -3.734 9.060 -4.904 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.215 7.216 -3.422 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.565 10.589 -4.404 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.330 10.514 -4.449 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.482 7.127 -3.482 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.411 8.563 -3.929 1.00 0.00 H new ATOM 1154 N ILE A 83 -2.942 7.758 1.357 1.00 0.00 N ATOM 1155 CA ILE A 83 -3.254 7.166 2.652 1.00 0.00 C ATOM 1156 C ILE A 83 -3.786 8.215 3.622 1.00 0.00 C ATOM 1157 O ILE A 83 -4.847 8.039 4.223 1.00 0.00 O ATOM 1158 CB ILE A 83 -2.019 6.488 3.273 1.00 0.00 C ATOM 1159 CG1 ILE A 83 -1.288 5.650 2.223 1.00 0.00 C ATOM 1160 CG2 ILE A 83 -2.429 5.623 4.456 1.00 0.00 C ATOM 1161 CD1 ILE A 83 0.053 5.129 2.691 1.00 0.00 C ATOM 0 H ILE A 83 -1.952 7.955 1.211 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.023 6.413 2.478 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.340 7.262 3.631 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.918 4.806 1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.142 6.253 1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.545 5.150 4.885 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.911 6.244 5.211 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.125 4.854 4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.514 4.544 1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.700 5.968 2.946 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.088 4.499 3.569 1.00 0.00 H new ATOM 1173 N ARG A 84 -3.044 9.307 3.770 1.00 0.00 N ATOM 1174 CA ARG A 84 -3.441 10.386 4.667 1.00 0.00 C ATOM 1175 C ARG A 84 -4.824 10.916 4.301 1.00 0.00 C ATOM 1176 O ARG A 84 -5.633 11.224 5.176 1.00 0.00 O ATOM 1177 CB ARG A 84 -2.418 11.523 4.616 1.00 0.00 C ATOM 1178 CG ARG A 84 -2.726 12.572 3.560 1.00 0.00 C ATOM 1179 CD ARG A 84 -1.731 13.721 3.611 1.00 0.00 C ATOM 1180 NE ARG A 84 -2.092 14.714 4.619 1.00 0.00 N ATOM 1181 CZ ARG A 84 -3.134 15.530 4.507 1.00 0.00 C ATOM 1182 NH1 ARG A 84 -3.914 15.471 3.436 1.00 0.00 N ATOM 1183 NH2 ARG A 84 -3.399 16.407 5.467 1.00 0.00 N ATOM 0 H ARG A 84 -2.164 9.468 3.280 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.480 9.986 5.680 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.374 12.005 5.593 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.431 11.104 4.422 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.703 12.113 2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.735 12.956 3.710 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.737 13.330 3.827 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.680 14.200 2.633 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.512 14.785 5.455 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.714 14.798 2.696 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.714 16.099 3.352 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.802 16.455 6.293 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.200 17.033 5.379 1.00 0.00 H new ATOM 1197 N ALA A 85 -5.089 11.019 3.003 1.00 0.00 N ATOM 1198 CA ALA A 85 -6.374 11.509 2.522 1.00 0.00 C ATOM 1199 C ALA A 85 -7.406 10.387 2.471 1.00 0.00 C ATOM 1200 O ALA A 85 -8.492 10.554 1.918 1.00 0.00 O ATOM 1201 CB ALA A 85 -6.216 12.145 1.149 1.00 0.00 C ATOM 0 H ALA A 85 -4.430 10.769 2.265 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.731 12.264 3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.184 12.507 0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.518 12.980 1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.832 11.405 0.447 1.00 0.00 H new ATOM 1207 N GLY A 86 -7.058 9.243 3.052 1.00 0.00 N ATOM 1208 CA GLY A 86 -7.965 8.110 3.061 1.00 0.00 C ATOM 1209 C GLY A 86 -8.926 8.147 4.233 1.00 0.00 C ATOM 1210 O GLY A 86 -9.502 7.125 4.604 1.00 0.00 O ATOM 0 H GLY A 86 -6.165 9.081 3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.532 8.095 2.130 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.388 7.186 3.097 1.00 0.00 H new ATOM 1214 N GLY A 87 -9.099 9.328 4.819 1.00 0.00 N ATOM 1215 CA GLY A 87 -9.997 9.470 5.950 1.00 0.00 C ATOM 1216 C GLY A 87 -9.462 8.803 7.202 1.00 0.00 C ATOM 1217 O GLY A 87 -8.261 8.571 7.343 1.00 0.00 O ATOM 0 H GLY A 87 -8.633 10.189 4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.162 10.529 6.148 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.966 9.038 5.698 1.00 0.00 H new ATOM 1221 N PRO A 88 -10.366 8.486 8.140 1.00 0.00 N ATOM 1222 CA PRO A 88 -10.001 7.838 9.404 1.00 0.00 C ATOM 1223 C PRO A 88 -9.553 6.394 9.207 1.00 0.00 C ATOM 1224 O PRO A 88 -8.812 5.849 10.024 1.00 0.00 O ATOM 1225 CB PRO A 88 -11.298 7.889 10.216 1.00 0.00 C ATOM 1226 CG PRO A 88 -12.382 7.957 9.196 1.00 0.00 C ATOM 1227 CD PRO A 88 -11.814 8.733 8.040 1.00 0.00 C ATOM 0 HA PRO A 88 -9.159 8.333 9.888 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -11.404 7.007 10.848 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.319 8.758 10.874 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.687 6.958 8.883 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.267 8.449 9.599 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -12.216 8.387 7.088 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.046 9.795 8.116 1.00 0.00 H new ATOM 1235 N GLN A 89 -10.008 5.781 8.119 1.00 0.00 N ATOM 1236 CA GLN A 89 -9.653 4.400 7.816 1.00 0.00 C ATOM 1237 C GLN A 89 -8.522 4.340 6.794 1.00 0.00 C ATOM 1238 O GLN A 89 -8.362 5.246 5.975 1.00 0.00 O ATOM 1239 CB GLN A 89 -10.872 3.641 7.289 1.00 0.00 C ATOM 1240 CG GLN A 89 -11.780 3.112 8.388 1.00 0.00 C ATOM 1241 CD GLN A 89 -12.728 4.168 8.921 1.00 0.00 C ATOM 1242 OE1 GLN A 89 -13.829 4.350 8.401 1.00 0.00 O ATOM 1243 NE2 GLN A 89 -12.304 4.872 9.964 1.00 0.00 N ATOM 0 H GLN A 89 -10.623 6.219 7.433 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.311 3.929 8.738 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.448 4.300 6.639 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.533 2.806 6.676 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.358 2.271 8.003 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.169 2.731 9.207 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -11.384 4.688 10.364 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -12.899 5.597 10.366 1.00 0.00 H new ATOM 1252 N LEU A 90 -7.739 3.268 6.848 1.00 0.00 N ATOM 1253 CA LEU A 90 -6.622 3.089 5.927 1.00 0.00 C ATOM 1254 C LEU A 90 -6.791 1.815 5.106 1.00 0.00 C ATOM 1255 O LEU A 90 -7.133 0.760 5.640 1.00 0.00 O ATOM 1256 CB LEU A 90 -5.302 3.040 6.699 1.00 0.00 C ATOM 1257 CG LEU A 90 -4.165 2.261 6.036 1.00 0.00 C ATOM 1258 CD1 LEU A 90 -2.838 2.581 6.705 1.00 0.00 C ATOM 1259 CD2 LEU A 90 -4.444 0.766 6.087 1.00 0.00 C ATOM 0 H LEU A 90 -7.857 2.510 7.520 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.606 3.939 5.245 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.965 4.063 6.868 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.493 2.602 7.678 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.103 2.564 4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.041 2.018 6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.634 3.648 6.617 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.886 2.307 7.759 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.625 0.227 5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.533 0.448 7.126 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.374 0.551 5.561 1.00 0.00 H new ATOM 1271 N HIS A 91 -6.548 1.920 3.803 1.00 0.00 N ATOM 1272 CA HIS A 91 -6.671 0.776 2.907 1.00 0.00 C ATOM 1273 C HIS A 91 -5.415 0.613 2.058 1.00 0.00 C ATOM 1274 O HIS A 91 -5.176 1.386 1.129 1.00 0.00 O ATOM 1275 CB HIS A 91 -7.894 0.937 2.004 1.00 0.00 C ATOM 1276 CG HIS A 91 -8.292 -0.325 1.303 1.00 0.00 C ATOM 1277 ND1 HIS A 91 -7.941 -0.605 -0.001 1.00 0.00 N ATOM 1278 CD2 HIS A 91 -9.014 -1.386 1.732 1.00 0.00 C ATOM 1279 CE1 HIS A 91 -8.431 -1.782 -0.344 1.00 0.00 C ATOM 1280 NE2 HIS A 91 -9.086 -2.278 0.691 1.00 0.00 N ATOM 0 H HIS A 91 -6.265 2.786 3.344 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.795 -0.119 3.517 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -8.733 1.290 2.603 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.687 1.706 1.260 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -7.389 0.003 -0.606 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.452 -1.508 2.711 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -8.316 -2.258 -1.306 1.00 0.00 H new ATOM 1289 N LEU A 92 -4.614 -0.396 2.382 1.00 0.00 N ATOM 1290 CA LEU A 92 -3.381 -0.660 1.649 1.00 0.00 C ATOM 1291 C LEU A 92 -3.396 -2.061 1.045 1.00 0.00 C ATOM 1292 O LEU A 92 -3.520 -3.055 1.759 1.00 0.00 O ATOM 1293 CB LEU A 92 -2.172 -0.504 2.573 1.00 0.00 C ATOM 1294 CG LEU A 92 -2.155 0.748 3.451 1.00 0.00 C ATOM 1295 CD1 LEU A 92 -0.972 0.715 4.406 1.00 0.00 C ATOM 1296 CD2 LEU A 92 -2.114 2.002 2.591 1.00 0.00 C ATOM 0 H LEU A 92 -4.796 -1.045 3.148 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.307 0.065 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.120 -1.379 3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.270 -0.507 1.961 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.071 0.766 4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.977 1.614 5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.046 -0.164 5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.045 0.672 3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.102 2.883 3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.216 1.991 1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.995 2.032 1.949 1.00 0.00 H new ATOM 1308 N VAL A 93 -3.265 -2.131 -0.276 1.00 0.00 N ATOM 1309 CA VAL A 93 -3.260 -3.409 -0.977 1.00 0.00 C ATOM 1310 C VAL A 93 -1.857 -4.003 -1.027 1.00 0.00 C ATOM 1311 O VAL A 93 -0.982 -3.496 -1.728 1.00 0.00 O ATOM 1312 CB VAL A 93 -3.795 -3.264 -2.414 1.00 0.00 C ATOM 1313 CG1 VAL A 93 -4.134 -4.627 -2.998 1.00 0.00 C ATOM 1314 CG2 VAL A 93 -5.009 -2.347 -2.440 1.00 0.00 C ATOM 0 H VAL A 93 -3.161 -1.317 -0.882 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.915 -4.078 -0.419 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.016 -2.815 -3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.510 -4.504 -4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.239 -5.248 -3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.896 -5.107 -2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.374 -2.256 -3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.794 -2.765 -1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.729 -1.362 -2.065 1.00 0.00 H new ATOM 1324 N ILE A 94 -1.650 -5.082 -0.278 1.00 0.00 N ATOM 1325 CA ILE A 94 -0.354 -5.746 -0.238 1.00 0.00 C ATOM 1326 C ILE A 94 -0.451 -7.174 -0.765 1.00 0.00 C ATOM 1327 O ILE A 94 -1.463 -7.848 -0.575 1.00 0.00 O ATOM 1328 CB ILE A 94 0.220 -5.776 1.191 1.00 0.00 C ATOM 1329 CG1 ILE A 94 0.192 -4.374 1.804 1.00 0.00 C ATOM 1330 CG2 ILE A 94 1.638 -6.327 1.181 1.00 0.00 C ATOM 1331 CD1 ILE A 94 0.984 -3.354 1.017 1.00 0.00 C ATOM 0 H ILE A 94 -2.364 -5.514 0.309 1.00 0.00 H new ATOM 0 HA ILE A 94 0.315 -5.170 -0.877 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.399 -6.432 1.802 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.843 -4.040 1.879 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.585 -4.422 2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.030 -6.342 2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.632 -7.340 0.780 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.270 -5.694 0.558 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.919 -2.384 1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.027 -3.665 0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.577 -3.276 0.009 1.00 0.00 H new ATOM 1343 N ARG A 95 0.609 -7.628 -1.426 1.00 0.00 N ATOM 1344 CA ARG A 95 0.643 -8.977 -1.979 1.00 0.00 C ATOM 1345 C ARG A 95 1.951 -9.677 -1.624 1.00 0.00 C ATOM 1346 O ARG A 95 2.984 -9.441 -2.252 1.00 0.00 O ATOM 1347 CB ARG A 95 0.473 -8.931 -3.499 1.00 0.00 C ATOM 1348 CG ARG A 95 0.745 -10.262 -4.182 1.00 0.00 C ATOM 1349 CD ARG A 95 0.408 -10.206 -5.664 1.00 0.00 C ATOM 1350 NE ARG A 95 0.887 -11.386 -6.379 1.00 0.00 N ATOM 1351 CZ ARG A 95 0.763 -11.551 -7.691 1.00 0.00 C ATOM 1352 NH1 ARG A 95 0.179 -10.616 -8.428 1.00 0.00 N ATOM 1353 NH2 ARG A 95 1.224 -12.653 -8.269 1.00 0.00 N ATOM 0 H ARG A 95 1.455 -7.082 -1.592 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.181 -9.543 -1.544 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.543 -8.613 -3.733 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.146 -8.178 -3.909 1.00 0.00 H new ATOM 0 HG2 ARG A 95 1.794 -10.529 -4.056 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.157 -11.045 -3.703 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.672 -10.121 -5.787 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.850 -9.312 -6.103 1.00 0.00 H new ATOM 0 HE ARG A 95 1.342 -12.124 -5.841 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -0.176 -9.767 -7.987 1.00 0.00 H new ATOM 0 HH12 ARG A 95 0.085 -10.745 -9.435 1.00 0.00 H new ATOM 0 HH21 ARG A 95 1.674 -13.374 -7.706 1.00 0.00 H new ATOM 0 HH22 ARG A 95 1.128 -12.779 -9.277 1.00 0.00 H new ATOM 1367 N ARG A 96 1.900 -10.538 -0.613 1.00 0.00 N ATOM 1368 CA ARG A 96 3.081 -11.271 -0.173 1.00 0.00 C ATOM 1369 C ARG A 96 3.755 -11.972 -1.349 1.00 0.00 C ATOM 1370 O ARG A 96 3.236 -12.938 -1.908 1.00 0.00 O ATOM 1371 CB ARG A 96 2.701 -12.298 0.896 1.00 0.00 C ATOM 1372 CG ARG A 96 3.893 -13.033 1.485 1.00 0.00 C ATOM 1373 CD ARG A 96 3.461 -14.045 2.535 1.00 0.00 C ATOM 1374 NE ARG A 96 2.857 -13.402 3.698 1.00 0.00 N ATOM 1375 CZ ARG A 96 2.539 -14.050 4.814 1.00 0.00 C ATOM 1376 NH1 ARG A 96 2.766 -15.353 4.915 1.00 0.00 N ATOM 1377 NH2 ARG A 96 1.992 -13.396 5.830 1.00 0.00 N ATOM 0 H ARG A 96 1.053 -10.745 -0.083 1.00 0.00 H new ATOM 0 HA ARG A 96 3.784 -10.555 0.253 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.164 -11.793 1.699 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.015 -13.025 0.462 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.437 -13.542 0.690 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.580 -12.315 1.932 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.748 -14.742 2.095 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.325 -14.630 2.852 1.00 0.00 H new ATOM 0 HE ARG A 96 2.669 -12.401 3.652 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.185 -15.860 4.135 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.521 -15.848 5.772 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.815 -12.394 5.756 1.00 0.00 H new ATOM 0 HH22 ARG A 96 1.749 -13.895 6.686 1.00 0.00 H new ATOM 1391 N PRO A 97 4.940 -11.475 -1.734 1.00 0.00 N ATOM 1392 CA PRO A 97 5.711 -12.038 -2.846 1.00 0.00 C ATOM 1393 C PRO A 97 6.284 -13.412 -2.518 1.00 0.00 C ATOM 1394 O PRO A 97 5.920 -14.024 -1.512 1.00 0.00 O ATOM 1395 CB PRO A 97 6.838 -11.022 -3.046 1.00 0.00 C ATOM 1396 CG PRO A 97 6.993 -10.362 -1.719 1.00 0.00 C ATOM 1397 CD PRO A 97 5.618 -10.325 -1.112 1.00 0.00 C ATOM 0 HA PRO A 97 5.095 -12.192 -3.732 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.762 -11.511 -3.355 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.586 -10.298 -3.821 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.685 -10.917 -1.085 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.399 -9.356 -1.828 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.655 -10.419 -0.027 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.106 -9.389 -1.333 1.00 0.00 H new