USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=9 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= -0.174 X(o=-0.17,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 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 11:sc= 0.99 USER MOD Single : A 47 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0588) USER MOD Single : A 52 GLN : amide:sc= -0.337 K(o=-0.34,f=-7.4!) USER MOD Single : A 54 CYS SG : rot 88:sc= -0.506 USER MOD Single : A 65 HIS : no HD1:sc= -2.37! C(o=-2.4!,f=-4.7!) USER MOD Single : A 67 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.27) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -39:sc= 0.54 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 134:sc= -0.714 USER MOD Single : A 76 HIS : no HD1:sc= -1.47! K(o=-1.5!,f=-0.49) USER MOD Single : A 78 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.11) USER MOD Single : A 89 GLN : amide:sc=-0.00836 K(o=-0.0084,f=-1) USER MOD Single : A 91 HIS : no HD1:sc= -1.69! C(o=-1.7!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 111 N HIS A 12 -3.179 -10.703 -4.141 1.00 0.00 N ATOM 112 CA HIS A 12 -2.998 -9.546 -3.271 1.00 0.00 C ATOM 113 C HIS A 12 -4.169 -9.405 -2.303 1.00 0.00 C ATOM 114 O HIS A 12 -5.287 -9.825 -2.601 1.00 0.00 O ATOM 115 CB HIS A 12 -2.854 -8.273 -4.105 1.00 0.00 C ATOM 116 CG HIS A 12 -3.698 -8.267 -5.341 1.00 0.00 C ATOM 117 ND1 HIS A 12 -4.906 -7.607 -5.426 1.00 0.00 N ATOM 118 CD2 HIS A 12 -3.503 -8.847 -6.549 1.00 0.00 C ATOM 119 CE1 HIS A 12 -5.417 -7.781 -6.631 1.00 0.00 C ATOM 120 NE2 HIS A 12 -4.585 -8.529 -7.333 1.00 0.00 N ATOM 0 HA HIS A 12 -2.087 -9.697 -2.691 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.120 -7.414 -3.490 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -1.809 -8.151 -4.388 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -2.655 -9.448 -6.842 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.356 -7.380 -6.983 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -4.723 -8.823 -8.300 1.00 0.00 H new ATOM 129 N PHE A 13 -3.904 -8.813 -1.144 1.00 0.00 N ATOM 130 CA PHE A 13 -4.935 -8.618 -0.131 1.00 0.00 C ATOM 131 C PHE A 13 -4.939 -7.178 0.371 1.00 0.00 C ATOM 132 O PHE A 13 -3.923 -6.485 0.312 1.00 0.00 O ATOM 133 CB PHE A 13 -4.718 -9.578 1.040 1.00 0.00 C ATOM 134 CG PHE A 13 -3.317 -9.554 1.583 1.00 0.00 C ATOM 135 CD1 PHE A 13 -2.890 -8.511 2.388 1.00 0.00 C ATOM 136 CD2 PHE A 13 -2.428 -10.575 1.288 1.00 0.00 C ATOM 137 CE1 PHE A 13 -1.602 -8.486 2.888 1.00 0.00 C ATOM 138 CE2 PHE A 13 -1.139 -10.556 1.785 1.00 0.00 C ATOM 139 CZ PHE A 13 -0.725 -9.510 2.587 1.00 0.00 C ATOM 0 H PHE A 13 -2.984 -8.460 -0.882 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.902 -8.827 -0.588 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.414 -9.326 1.840 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.957 -10.591 0.718 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.571 -7.708 2.628 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.746 -11.395 0.662 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.281 -7.666 3.514 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.456 -11.358 1.547 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.282 -9.493 2.978 1.00 0.00 H new ATOM 149 N SER A 14 -6.090 -6.733 0.865 1.00 0.00 N ATOM 150 CA SER A 14 -6.229 -5.373 1.374 1.00 0.00 C ATOM 151 C SER A 14 -5.833 -5.301 2.846 1.00 0.00 C ATOM 152 O SER A 14 -5.707 -6.325 3.518 1.00 0.00 O ATOM 153 CB SER A 14 -7.668 -4.884 1.197 1.00 0.00 C ATOM 154 OG SER A 14 -8.577 -5.704 1.912 1.00 0.00 O ATOM 0 H SER A 14 -6.940 -7.294 0.924 1.00 0.00 H new ATOM 0 HA SER A 14 -5.561 -4.728 0.804 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.751 -3.854 1.545 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.928 -4.885 0.138 1.00 0.00 H new ATOM 0 HG SER A 14 -9.489 -5.370 1.784 1.00 0.00 H new ATOM 160 N VAL A 15 -5.638 -4.083 3.340 1.00 0.00 N ATOM 161 CA VAL A 15 -5.257 -3.875 4.732 1.00 0.00 C ATOM 162 C VAL A 15 -6.149 -2.833 5.396 1.00 0.00 C ATOM 163 O VAL A 15 -6.173 -1.672 4.989 1.00 0.00 O ATOM 164 CB VAL A 15 -3.788 -3.427 4.851 1.00 0.00 C ATOM 165 CG1 VAL A 15 -3.424 -3.169 6.305 1.00 0.00 C ATOM 166 CG2 VAL A 15 -2.863 -4.468 4.238 1.00 0.00 C ATOM 0 H VAL A 15 -5.738 -3.225 2.797 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.380 -4.832 5.240 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.665 -2.495 4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.383 -2.854 6.369 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.066 -2.385 6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.562 -4.083 6.882 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.829 -4.136 4.331 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.987 -5.417 4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.109 -4.598 3.184 1.00 0.00 H new ATOM 176 N GLU A 16 -6.881 -3.256 6.422 1.00 0.00 N ATOM 177 CA GLU A 16 -7.776 -2.358 7.143 1.00 0.00 C ATOM 178 C GLU A 16 -7.197 -1.993 8.507 1.00 0.00 C ATOM 179 O GLU A 16 -6.906 -2.866 9.325 1.00 0.00 O ATOM 180 CB GLU A 16 -9.152 -3.005 7.317 1.00 0.00 C ATOM 181 CG GLU A 16 -9.820 -3.377 6.004 1.00 0.00 C ATOM 182 CD GLU A 16 -11.263 -3.806 6.186 1.00 0.00 C ATOM 183 OE1 GLU A 16 -11.497 -4.838 6.850 1.00 0.00 O ATOM 184 OE2 GLU A 16 -12.159 -3.110 5.663 1.00 0.00 O ATOM 0 H GLU A 16 -6.872 -4.214 6.772 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.883 -1.445 6.557 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.048 -3.901 7.929 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.800 -2.320 7.863 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.781 -2.524 5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.261 -4.185 5.532 1.00 0.00 H new ATOM 191 N LEU A 17 -7.034 -0.696 8.745 1.00 0.00 N ATOM 192 CA LEU A 17 -6.489 -0.213 10.009 1.00 0.00 C ATOM 193 C LEU A 17 -7.262 1.005 10.505 1.00 0.00 C ATOM 194 O LEU A 17 -7.809 1.771 9.712 1.00 0.00 O ATOM 195 CB LEU A 17 -5.009 0.138 9.849 1.00 0.00 C ATOM 196 CG LEU A 17 -4.092 -1.004 9.410 1.00 0.00 C ATOM 197 CD1 LEU A 17 -2.662 -0.511 9.255 1.00 0.00 C ATOM 198 CD2 LEU A 17 -4.157 -2.153 10.405 1.00 0.00 C ATOM 0 H LEU A 17 -7.271 0.040 8.080 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.589 -1.009 10.747 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.924 0.945 9.122 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.643 0.526 10.800 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.436 -1.368 8.442 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.024 -1.338 8.942 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.629 0.278 8.503 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.307 -0.119 10.208 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.498 -2.957 10.076 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.840 -1.802 11.387 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.180 -2.524 10.466 1.00 0.00 H new ATOM 210 N VAL A 18 -7.300 1.180 11.822 1.00 0.00 N ATOM 211 CA VAL A 18 -8.002 2.307 12.424 1.00 0.00 C ATOM 212 C VAL A 18 -7.025 3.389 12.868 1.00 0.00 C ATOM 213 O VAL A 18 -6.203 3.170 13.758 1.00 0.00 O ATOM 214 CB VAL A 18 -8.844 1.862 13.635 1.00 0.00 C ATOM 215 CG1 VAL A 18 -9.496 3.063 14.302 1.00 0.00 C ATOM 216 CG2 VAL A 18 -9.891 0.843 13.210 1.00 0.00 C ATOM 0 H VAL A 18 -6.853 0.555 12.493 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.665 2.712 11.659 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.183 1.388 14.361 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.087 2.729 15.155 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.724 3.753 14.643 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.145 3.568 13.587 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.477 0.540 14.078 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.550 1.288 12.465 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.397 -0.030 12.783 1.00 0.00 H new ATOM 226 N ARG A 19 -7.121 4.558 12.243 1.00 0.00 N ATOM 227 CA ARG A 19 -6.245 5.676 12.574 1.00 0.00 C ATOM 228 C ARG A 19 -5.971 5.726 14.074 1.00 0.00 C ATOM 229 O ARG A 19 -6.886 5.899 14.877 1.00 0.00 O ATOM 230 CB ARG A 19 -6.870 6.994 12.114 1.00 0.00 C ATOM 231 CG ARG A 19 -5.914 8.175 12.175 1.00 0.00 C ATOM 232 CD ARG A 19 -6.481 9.388 11.454 1.00 0.00 C ATOM 233 NE ARG A 19 -5.910 10.636 11.952 1.00 0.00 N ATOM 234 CZ ARG A 19 -4.703 11.077 11.617 1.00 0.00 C ATOM 235 NH1 ARG A 19 -3.943 10.375 10.788 1.00 0.00 N ATOM 236 NH2 ARG A 19 -4.253 12.224 12.112 1.00 0.00 N ATOM 0 H ARG A 19 -7.796 4.756 11.505 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.298 5.530 12.054 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.228 6.879 11.091 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.740 7.209 12.734 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.714 8.429 13.216 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.961 7.896 11.726 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.284 9.300 10.386 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.564 9.410 11.577 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.469 11.200 12.592 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.285 9.493 10.405 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.016 10.717 10.533 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.835 12.767 12.750 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.326 12.562 11.854 1.00 0.00 H new ATOM 250 N GLY A 20 -4.703 5.574 14.444 1.00 0.00 N ATOM 251 CA GLY A 20 -4.330 5.605 15.846 1.00 0.00 C ATOM 252 C GLY A 20 -4.340 7.008 16.418 1.00 0.00 C ATOM 253 O GLY A 20 -5.299 7.757 16.228 1.00 0.00 O ATOM 0 H GLY A 20 -3.927 5.430 13.797 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.017 4.979 16.415 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.335 5.175 15.964 1.00 0.00 H new ATOM 257 N TYR A 21 -3.272 7.366 17.123 1.00 0.00 N ATOM 258 CA TYR A 21 -3.164 8.688 17.728 1.00 0.00 C ATOM 259 C TYR A 21 -2.618 9.702 16.728 1.00 0.00 C ATOM 260 O TYR A 21 -1.446 10.074 16.781 1.00 0.00 O ATOM 261 CB TYR A 21 -2.260 8.634 18.961 1.00 0.00 C ATOM 262 CG TYR A 21 -1.922 9.996 19.524 1.00 0.00 C ATOM 263 CD1 TYR A 21 -2.917 10.834 20.013 1.00 0.00 C ATOM 264 CD2 TYR A 21 -0.608 10.446 19.566 1.00 0.00 C ATOM 265 CE1 TYR A 21 -2.613 12.080 20.527 1.00 0.00 C ATOM 266 CE2 TYR A 21 -0.295 11.689 20.079 1.00 0.00 C ATOM 267 CZ TYR A 21 -1.301 12.503 20.559 1.00 0.00 C ATOM 268 OH TYR A 21 -0.993 13.742 21.070 1.00 0.00 O ATOM 0 H TYR A 21 -2.469 6.759 17.289 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.162 9.004 18.030 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.749 8.042 19.734 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.336 8.118 18.701 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.946 10.506 19.991 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.182 9.812 19.191 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.399 12.719 20.902 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.732 12.023 20.105 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.025 13.885 21.020 1.00 0.00 H new ATOM 278 N ALA A 22 -3.477 10.145 15.816 1.00 0.00 N ATOM 279 CA ALA A 22 -3.083 11.118 14.804 1.00 0.00 C ATOM 280 C ALA A 22 -2.046 10.531 13.853 1.00 0.00 C ATOM 281 O ALA A 22 -0.982 11.112 13.644 1.00 0.00 O ATOM 282 CB ALA A 22 -2.543 12.377 15.465 1.00 0.00 C ATOM 0 H ALA A 22 -4.450 9.846 15.757 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.967 11.377 14.221 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.253 13.095 14.698 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.314 12.815 16.098 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.674 12.125 16.073 1.00 0.00 H new ATOM 288 N GLY A 23 -2.364 9.375 13.278 1.00 0.00 N ATOM 289 CA GLY A 23 -1.448 8.729 12.356 1.00 0.00 C ATOM 290 C GLY A 23 -1.400 7.225 12.544 1.00 0.00 C ATOM 291 O GLY A 23 -1.696 6.718 13.627 1.00 0.00 O ATOM 0 H GLY A 23 -3.239 8.875 13.434 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.748 8.955 11.333 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.448 9.141 12.493 1.00 0.00 H new ATOM 295 N PHE A 24 -1.029 6.510 11.488 1.00 0.00 N ATOM 296 CA PHE A 24 -0.946 5.055 11.541 1.00 0.00 C ATOM 297 C PHE A 24 0.467 4.603 11.901 1.00 0.00 C ATOM 298 O PHE A 24 0.679 3.467 12.322 1.00 0.00 O ATOM 299 CB PHE A 24 -1.361 4.450 10.199 1.00 0.00 C ATOM 300 CG PHE A 24 -2.822 4.614 9.893 1.00 0.00 C ATOM 301 CD1 PHE A 24 -3.298 5.789 9.334 1.00 0.00 C ATOM 302 CD2 PHE A 24 -3.719 3.594 10.165 1.00 0.00 C ATOM 303 CE1 PHE A 24 -4.643 5.943 9.052 1.00 0.00 C ATOM 304 CE2 PHE A 24 -5.065 3.742 9.885 1.00 0.00 C ATOM 305 CZ PHE A 24 -5.527 4.918 9.327 1.00 0.00 C ATOM 0 H PHE A 24 -0.781 6.914 10.585 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.628 4.705 12.316 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.777 4.915 9.404 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.115 3.388 10.197 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.611 6.593 9.116 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.363 2.672 10.601 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.002 6.864 8.617 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.754 2.939 10.102 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.578 5.036 9.106 1.00 0.00 H new ATOM 315 N GLY A 25 1.431 5.503 11.729 1.00 0.00 N ATOM 316 CA GLY A 25 2.811 5.179 12.039 1.00 0.00 C ATOM 317 C GLY A 25 3.432 4.248 11.016 1.00 0.00 C ATOM 318 O GLY A 25 4.426 3.578 11.298 1.00 0.00 O ATOM 0 H GLY A 25 1.281 6.450 11.381 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.394 6.098 12.090 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.860 4.715 13.024 1.00 0.00 H new ATOM 322 N LEU A 26 2.845 4.205 9.825 1.00 0.00 N ATOM 323 CA LEU A 26 3.346 3.348 8.756 1.00 0.00 C ATOM 324 C LEU A 26 4.185 4.147 7.765 1.00 0.00 C ATOM 325 O LEU A 26 3.728 5.148 7.212 1.00 0.00 O ATOM 326 CB LEU A 26 2.181 2.674 8.029 1.00 0.00 C ATOM 327 CG LEU A 26 2.553 1.536 7.077 1.00 0.00 C ATOM 328 CD1 LEU A 26 3.230 0.405 7.836 1.00 0.00 C ATOM 329 CD2 LEU A 26 1.318 1.026 6.347 1.00 0.00 C ATOM 0 H LEU A 26 2.022 4.753 9.575 1.00 0.00 H new ATOM 0 HA LEU A 26 3.979 2.582 9.204 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.489 2.285 8.776 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.644 3.434 7.462 1.00 0.00 H new ATOM 0 HG LEU A 26 3.255 1.921 6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.487 -0.396 7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.137 0.778 8.312 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.552 0.021 8.598 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.601 0.217 5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.593 0.657 7.072 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.874 1.838 5.771 1.00 0.00 H new ATOM 341 N THR A 27 5.417 3.698 7.543 1.00 0.00 N ATOM 342 CA THR A 27 6.320 4.371 6.618 1.00 0.00 C ATOM 343 C THR A 27 6.713 3.451 5.468 1.00 0.00 C ATOM 344 O THR A 27 6.846 2.240 5.645 1.00 0.00 O ATOM 345 CB THR A 27 7.596 4.855 7.332 1.00 0.00 C ATOM 346 OG1 THR A 27 7.252 5.524 8.551 1.00 0.00 O ATOM 347 CG2 THR A 27 8.392 5.796 6.439 1.00 0.00 C ATOM 0 H THR A 27 5.812 2.871 7.991 1.00 0.00 H new ATOM 0 HA THR A 27 5.784 5.234 6.223 1.00 0.00 H new ATOM 0 HB THR A 27 8.212 3.984 7.557 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.069 5.827 9.000 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.289 6.125 6.964 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.677 5.275 5.525 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.781 6.663 6.187 1.00 0.00 H new ATOM 355 N LEU A 28 6.899 4.034 4.288 1.00 0.00 N ATOM 356 CA LEU A 28 7.278 3.266 3.107 1.00 0.00 C ATOM 357 C LEU A 28 8.626 3.730 2.566 1.00 0.00 C ATOM 358 O LEU A 28 8.837 4.919 2.330 1.00 0.00 O ATOM 359 CB LEU A 28 6.207 3.399 2.023 1.00 0.00 C ATOM 360 CG LEU A 28 5.059 2.391 2.085 1.00 0.00 C ATOM 361 CD1 LEU A 28 3.845 2.918 1.336 1.00 0.00 C ATOM 362 CD2 LEU A 28 5.497 1.048 1.519 1.00 0.00 C ATOM 0 H LEU A 28 6.794 5.035 4.124 1.00 0.00 H new ATOM 0 HA LEU A 28 7.365 2.219 3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.786 4.403 2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.690 3.309 1.050 1.00 0.00 H new ATOM 0 HG LEU A 28 4.782 2.249 3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.038 2.187 1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.518 3.855 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.108 3.090 0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.667 0.343 1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.802 1.173 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.336 0.665 2.100 1.00 0.00 H new ATOM 374 N GLY A 29 9.538 2.781 2.369 1.00 0.00 N ATOM 375 CA GLY A 29 10.854 3.112 1.855 1.00 0.00 C ATOM 376 C GLY A 29 11.080 2.579 0.454 1.00 0.00 C ATOM 377 O GLY A 29 11.455 1.420 0.277 1.00 0.00 O ATOM 0 H GLY A 29 9.388 1.790 2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.978 4.195 1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.614 2.705 2.522 1.00 0.00 H new ATOM 381 N GLY A 30 10.850 3.425 -0.545 1.00 0.00 N ATOM 382 CA GLY A 30 11.035 3.013 -1.924 1.00 0.00 C ATOM 383 C GLY A 30 10.119 3.754 -2.878 1.00 0.00 C ATOM 384 O GLY A 30 9.833 4.935 -2.684 1.00 0.00 O ATOM 0 H GLY A 30 10.539 4.389 -0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.072 3.183 -2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.852 1.942 -2.008 1.00 0.00 H new ATOM 388 N GLY A 31 9.658 3.059 -3.913 1.00 0.00 N ATOM 389 CA GLY A 31 8.776 3.675 -4.887 1.00 0.00 C ATOM 390 C GLY A 31 9.535 4.381 -5.993 1.00 0.00 C ATOM 391 O GLY A 31 10.752 4.234 -6.111 1.00 0.00 O ATOM 0 H GLY A 31 9.880 2.080 -4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.132 2.911 -5.323 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.126 4.390 -4.383 1.00 0.00 H new ATOM 395 N ARG A 32 8.816 5.147 -6.807 1.00 0.00 N ATOM 396 CA ARG A 32 9.430 5.875 -7.911 1.00 0.00 C ATOM 397 C ARG A 32 10.348 6.977 -7.392 1.00 0.00 C ATOM 398 O ARG A 32 9.888 7.959 -6.808 1.00 0.00 O ATOM 399 CB ARG A 32 8.352 6.477 -8.814 1.00 0.00 C ATOM 400 CG ARG A 32 8.810 7.717 -9.565 1.00 0.00 C ATOM 401 CD ARG A 32 7.677 8.327 -10.376 1.00 0.00 C ATOM 402 NE ARG A 32 7.202 7.422 -11.419 1.00 0.00 N ATOM 403 CZ ARG A 32 6.229 7.728 -12.270 1.00 0.00 C ATOM 404 NH1 ARG A 32 5.632 8.910 -12.202 1.00 0.00 N ATOM 405 NH2 ARG A 32 5.853 6.851 -13.192 1.00 0.00 N ATOM 0 H ARG A 32 7.808 5.280 -6.723 1.00 0.00 H new ATOM 0 HA ARG A 32 10.028 5.171 -8.490 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.031 5.724 -9.534 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.482 6.730 -8.208 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.189 8.453 -8.857 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.635 7.458 -10.228 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.851 8.580 -9.712 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.017 9.258 -10.831 1.00 0.00 H new ATOM 0 HE ARG A 32 7.641 6.505 -11.498 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.920 9.587 -11.495 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.885 9.143 -12.857 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.311 5.941 -13.248 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.106 7.086 -13.845 1.00 0.00 H new ATOM 419 N ASP A 33 11.648 6.808 -7.607 1.00 0.00 N ATOM 420 CA ASP A 33 12.631 7.788 -7.162 1.00 0.00 C ATOM 421 C ASP A 33 13.076 8.677 -8.319 1.00 0.00 C ATOM 422 O ASP A 33 12.952 8.303 -9.486 1.00 0.00 O ATOM 423 CB ASP A 33 13.843 7.085 -6.548 1.00 0.00 C ATOM 424 CG ASP A 33 13.682 6.848 -5.059 1.00 0.00 C ATOM 425 OD1 ASP A 33 13.868 7.809 -4.283 1.00 0.00 O ATOM 426 OD2 ASP A 33 13.372 5.703 -4.670 1.00 0.00 O ATOM 0 H ASP A 33 12.046 6.001 -8.087 1.00 0.00 H new ATOM 0 HA ASP A 33 12.162 8.416 -6.404 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.998 6.130 -7.050 1.00 0.00 H new ATOM 0 HB3 ASP A 33 14.735 7.686 -6.723 1.00 0.00 H new ATOM 431 N VAL A 34 13.593 9.856 -7.989 1.00 0.00 N ATOM 432 CA VAL A 34 14.056 10.798 -9.001 1.00 0.00 C ATOM 433 C VAL A 34 15.271 10.253 -9.744 1.00 0.00 C ATOM 434 O VAL A 34 15.501 10.588 -10.906 1.00 0.00 O ATOM 435 CB VAL A 34 14.418 12.159 -8.377 1.00 0.00 C ATOM 436 CG1 VAL A 34 14.622 13.206 -9.461 1.00 0.00 C ATOM 437 CG2 VAL A 34 13.341 12.598 -7.396 1.00 0.00 C ATOM 0 H VAL A 34 13.702 10.182 -7.029 1.00 0.00 H new ATOM 0 HA VAL A 34 13.235 10.936 -9.704 1.00 0.00 H new ATOM 0 HB VAL A 34 15.354 12.051 -7.829 1.00 0.00 H new ATOM 0 HG11 VAL A 34 14.877 14.161 -9.001 1.00 0.00 H new ATOM 0 HG12 VAL A 34 15.431 12.893 -10.121 1.00 0.00 H new ATOM 0 HG13 VAL A 34 13.704 13.315 -10.039 1.00 0.00 H new ATOM 0 HG21 VAL A 34 13.613 13.561 -6.964 1.00 0.00 H new ATOM 0 HG22 VAL A 34 12.389 12.690 -7.918 1.00 0.00 H new ATOM 0 HG23 VAL A 34 13.249 11.858 -6.601 1.00 0.00 H new ATOM 447 N ALA A 35 16.044 9.412 -9.066 1.00 0.00 N ATOM 448 CA ALA A 35 17.234 8.818 -9.663 1.00 0.00 C ATOM 449 C ALA A 35 16.918 7.464 -10.287 1.00 0.00 C ATOM 450 O ALA A 35 17.597 7.022 -11.213 1.00 0.00 O ATOM 451 CB ALA A 35 18.333 8.677 -8.620 1.00 0.00 C ATOM 0 H ALA A 35 15.868 9.126 -8.103 1.00 0.00 H new ATOM 0 HA ALA A 35 17.582 9.481 -10.455 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.216 8.232 -9.079 1.00 0.00 H new ATOM 0 HB2 ALA A 35 18.587 9.660 -8.224 1.00 0.00 H new ATOM 0 HB3 ALA A 35 17.985 8.038 -7.809 1.00 0.00 H new ATOM 457 N GLY A 36 15.881 6.808 -9.774 1.00 0.00 N ATOM 458 CA GLY A 36 15.494 5.509 -10.294 1.00 0.00 C ATOM 459 C GLY A 36 14.125 5.076 -9.808 1.00 0.00 C ATOM 460 O GLY A 36 13.375 5.876 -9.249 1.00 0.00 O ATOM 0 H GLY A 36 15.302 7.153 -9.008 1.00 0.00 H new ATOM 0 HA2 GLY A 36 15.496 5.542 -11.384 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.234 4.766 -9.996 1.00 0.00 H new ATOM 464 N ASP A 37 13.797 3.807 -10.024 1.00 0.00 N ATOM 465 CA ASP A 37 12.509 3.268 -9.605 1.00 0.00 C ATOM 466 C ASP A 37 12.695 2.056 -8.697 1.00 0.00 C ATOM 467 O ASP A 37 13.331 1.073 -9.077 1.00 0.00 O ATOM 468 CB ASP A 37 11.672 2.881 -10.826 1.00 0.00 C ATOM 469 CG ASP A 37 12.366 1.857 -11.702 1.00 0.00 C ATOM 470 OD1 ASP A 37 12.241 0.648 -11.415 1.00 0.00 O ATOM 471 OD2 ASP A 37 13.036 2.264 -12.675 1.00 0.00 O ATOM 0 H ASP A 37 14.406 3.132 -10.487 1.00 0.00 H new ATOM 0 HA ASP A 37 11.985 4.042 -9.045 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.714 2.481 -10.494 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.459 3.773 -11.414 1.00 0.00 H new ATOM 476 N THR A 38 12.137 2.134 -7.492 1.00 0.00 N ATOM 477 CA THR A 38 12.244 1.046 -6.529 1.00 0.00 C ATOM 478 C THR A 38 10.866 0.568 -6.085 1.00 0.00 C ATOM 479 O THR A 38 9.914 1.342 -5.991 1.00 0.00 O ATOM 480 CB THR A 38 13.051 1.472 -5.287 1.00 0.00 C ATOM 481 OG1 THR A 38 12.598 2.749 -4.823 1.00 0.00 O ATOM 482 CG2 THR A 38 14.537 1.540 -5.605 1.00 0.00 C ATOM 0 H THR A 38 11.607 2.940 -7.161 1.00 0.00 H new ATOM 0 HA THR A 38 12.765 0.230 -7.030 1.00 0.00 H new ATOM 0 HB THR A 38 12.896 0.727 -4.507 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.767 2.989 -5.284 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.086 1.843 -4.714 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.885 0.559 -5.930 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.706 2.267 -6.400 1.00 0.00 H new ATOM 490 N PRO A 39 10.755 -0.740 -5.806 1.00 0.00 N ATOM 491 CA PRO A 39 9.497 -1.351 -5.366 1.00 0.00 C ATOM 492 C PRO A 39 9.102 -0.916 -3.959 1.00 0.00 C ATOM 493 O PRO A 39 9.809 -1.195 -2.990 1.00 0.00 O ATOM 494 CB PRO A 39 9.802 -2.850 -5.396 1.00 0.00 C ATOM 495 CG PRO A 39 11.279 -2.940 -5.225 1.00 0.00 C ATOM 496 CD PRO A 39 11.849 -1.721 -5.896 1.00 0.00 C ATOM 0 HA PRO A 39 8.659 -1.059 -5.999 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.278 -3.376 -4.598 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.484 -3.300 -6.337 1.00 0.00 H new ATOM 0 HG2 PRO A 39 11.549 -2.966 -4.169 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.669 -3.852 -5.676 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.748 -1.368 -5.391 1.00 0.00 H new ATOM 0 HD3 PRO A 39 12.123 -1.923 -6.931 1.00 0.00 H new ATOM 504 N LEU A 40 7.969 -0.230 -3.853 1.00 0.00 N ATOM 505 CA LEU A 40 7.479 0.243 -2.564 1.00 0.00 C ATOM 506 C LEU A 40 7.418 -0.897 -1.552 1.00 0.00 C ATOM 507 O LEU A 40 6.905 -1.975 -1.847 1.00 0.00 O ATOM 508 CB LEU A 40 6.094 0.873 -2.722 1.00 0.00 C ATOM 509 CG LEU A 40 6.069 2.365 -3.058 1.00 0.00 C ATOM 510 CD1 LEU A 40 4.675 2.792 -3.490 1.00 0.00 C ATOM 511 CD2 LEU A 40 6.535 3.188 -1.866 1.00 0.00 C ATOM 0 H LEU A 40 7.373 0.011 -4.645 1.00 0.00 H new ATOM 0 HA LEU A 40 8.175 0.996 -2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.560 0.336 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.540 0.720 -1.796 1.00 0.00 H new ATOM 0 HG LEU A 40 6.754 2.542 -3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.677 3.856 -3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.378 2.226 -4.373 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.969 2.600 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.511 4.247 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.875 3.005 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.553 2.902 -1.602 1.00 0.00 H new ATOM 523 N ALA A 41 7.945 -0.649 -0.357 1.00 0.00 N ATOM 524 CA ALA A 41 7.947 -1.653 0.700 1.00 0.00 C ATOM 525 C ALA A 41 8.020 -1.000 2.076 1.00 0.00 C ATOM 526 O ALA A 41 8.757 -0.036 2.279 1.00 0.00 O ATOM 527 CB ALA A 41 9.109 -2.617 0.509 1.00 0.00 C ATOM 0 H ALA A 41 8.376 0.238 -0.097 1.00 0.00 H new ATOM 0 HA ALA A 41 7.012 -2.211 0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 41 9.099 -3.361 1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.013 -3.116 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.048 -2.065 0.540 1.00 0.00 H new ATOM 533 N VAL A 42 7.248 -1.532 3.019 1.00 0.00 N ATOM 534 CA VAL A 42 7.225 -1.002 4.377 1.00 0.00 C ATOM 535 C VAL A 42 8.636 -0.871 4.940 1.00 0.00 C ATOM 536 O VAL A 42 9.372 -1.854 5.033 1.00 0.00 O ATOM 537 CB VAL A 42 6.391 -1.895 5.314 1.00 0.00 C ATOM 538 CG1 VAL A 42 6.541 -1.441 6.758 1.00 0.00 C ATOM 539 CG2 VAL A 42 4.929 -1.888 4.894 1.00 0.00 C ATOM 0 H VAL A 42 6.630 -2.329 2.867 1.00 0.00 H new ATOM 0 HA VAL A 42 6.765 -0.015 4.324 1.00 0.00 H new ATOM 0 HB VAL A 42 6.762 -2.917 5.239 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.944 -2.084 7.405 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.589 -1.502 7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.197 -0.411 6.853 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.354 -2.524 5.567 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.542 -0.870 4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.841 -2.265 3.875 1.00 0.00 H new ATOM 549 N ARG A 43 9.007 0.348 5.316 1.00 0.00 N ATOM 550 CA ARG A 43 10.330 0.608 5.869 1.00 0.00 C ATOM 551 C ARG A 43 10.333 0.416 7.383 1.00 0.00 C ATOM 552 O ARG A 43 10.919 -0.536 7.897 1.00 0.00 O ATOM 553 CB ARG A 43 10.781 2.028 5.524 1.00 0.00 C ATOM 554 CG ARG A 43 12.286 2.225 5.600 1.00 0.00 C ATOM 555 CD ARG A 43 12.736 2.539 7.019 1.00 0.00 C ATOM 556 NE ARG A 43 14.149 2.232 7.225 1.00 0.00 N ATOM 557 CZ ARG A 43 14.808 2.522 8.342 1.00 0.00 C ATOM 558 NH1 ARG A 43 14.186 3.122 9.346 1.00 0.00 N ATOM 559 NH2 ARG A 43 16.093 2.210 8.454 1.00 0.00 N ATOM 0 H ARG A 43 8.409 1.172 5.248 1.00 0.00 H new ATOM 0 HA ARG A 43 11.027 -0.104 5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.441 2.273 4.518 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.297 2.729 6.204 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.790 1.325 5.248 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.582 3.037 4.935 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.560 3.594 7.230 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.134 1.967 7.725 1.00 0.00 H new ATOM 0 HE ARG A 43 14.657 1.770 6.471 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.198 3.363 9.263 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.695 3.343 10.202 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.575 1.748 7.683 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.599 2.433 9.311 1.00 0.00 H new ATOM 573 N GLY A 44 9.674 1.328 8.092 1.00 0.00 N ATOM 574 CA GLY A 44 9.614 1.241 9.539 1.00 0.00 C ATOM 575 C GLY A 44 8.194 1.124 10.055 1.00 0.00 C ATOM 576 O GLY A 44 7.250 1.575 9.405 1.00 0.00 O ATOM 0 H GLY A 44 9.181 2.125 7.690 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.190 0.378 9.872 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.083 2.124 9.973 1.00 0.00 H new ATOM 580 N LEU A 45 8.039 0.514 11.225 1.00 0.00 N ATOM 581 CA LEU A 45 6.722 0.337 11.827 1.00 0.00 C ATOM 582 C LEU A 45 6.654 1.008 13.195 1.00 0.00 C ATOM 583 O LEU A 45 7.187 0.492 14.179 1.00 0.00 O ATOM 584 CB LEU A 45 6.397 -1.152 11.960 1.00 0.00 C ATOM 585 CG LEU A 45 5.804 -1.823 10.721 1.00 0.00 C ATOM 586 CD1 LEU A 45 5.934 -3.335 10.818 1.00 0.00 C ATOM 587 CD2 LEU A 45 4.347 -1.421 10.543 1.00 0.00 C ATOM 0 H LEU A 45 8.809 0.134 11.776 1.00 0.00 H new ATOM 0 HA LEU A 45 5.985 0.807 11.175 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.311 -1.680 12.232 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.698 -1.278 12.787 1.00 0.00 H new ATOM 0 HG LEU A 45 6.362 -1.487 9.847 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.506 -3.795 9.927 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.987 -3.605 10.896 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.402 -3.690 11.701 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.941 -1.908 9.656 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.775 -1.727 11.419 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.280 -0.339 10.426 1.00 0.00 H new ATOM 599 N LEU A 46 5.994 2.159 13.252 1.00 0.00 N ATOM 600 CA LEU A 46 5.854 2.901 14.500 1.00 0.00 C ATOM 601 C LEU A 46 5.564 1.958 15.664 1.00 0.00 C ATOM 602 O LEU A 46 4.877 0.949 15.503 1.00 0.00 O ATOM 603 CB LEU A 46 4.736 3.937 14.378 1.00 0.00 C ATOM 604 CG LEU A 46 4.777 5.091 15.380 1.00 0.00 C ATOM 605 CD1 LEU A 46 5.611 6.241 14.836 1.00 0.00 C ATOM 606 CD2 LEU A 46 3.368 5.562 15.711 1.00 0.00 C ATOM 0 H LEU A 46 5.547 2.599 12.448 1.00 0.00 H new ATOM 0 HA LEU A 46 6.796 3.414 14.697 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.764 4.355 13.372 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.780 3.424 14.484 1.00 0.00 H new ATOM 0 HG LEU A 46 5.243 4.733 16.298 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.629 7.053 15.563 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.629 5.897 14.651 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.174 6.598 13.903 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.417 6.384 16.426 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.875 5.902 14.800 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.801 4.738 16.144 1.00 0.00 H new ATOM 618 N LYS A 47 6.090 2.294 16.836 1.00 0.00 N ATOM 619 CA LYS A 47 5.886 1.481 18.029 1.00 0.00 C ATOM 620 C LYS A 47 4.543 1.796 18.679 1.00 0.00 C ATOM 621 O LYS A 47 4.222 2.958 18.930 1.00 0.00 O ATOM 622 CB LYS A 47 7.018 1.716 19.032 1.00 0.00 C ATOM 623 CG LYS A 47 6.824 0.987 20.350 1.00 0.00 C ATOM 624 CD LYS A 47 6.599 -0.501 20.136 1.00 0.00 C ATOM 625 CE LYS A 47 7.833 -1.173 19.554 1.00 0.00 C ATOM 626 NZ LYS A 47 8.941 -1.254 20.545 1.00 0.00 N ATOM 0 H LYS A 47 6.662 3.125 16.986 1.00 0.00 H new ATOM 0 HA LYS A 47 5.887 0.433 17.728 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.960 1.397 18.585 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.103 2.785 19.227 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.700 1.136 20.982 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.972 1.412 20.880 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.341 -0.971 21.085 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.752 -0.649 19.466 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.574 -2.176 19.216 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.169 -0.618 18.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.711 -1.835 20.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.297 -0.298 20.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.590 -1.686 21.424 1.00 0.00 H new ATOM 640 N ASP A 48 3.763 0.755 18.949 1.00 0.00 N ATOM 641 CA ASP A 48 2.455 0.921 19.573 1.00 0.00 C ATOM 642 C ASP A 48 1.442 1.472 18.573 1.00 0.00 C ATOM 643 O ASP A 48 0.501 2.169 18.948 1.00 0.00 O ATOM 644 CB ASP A 48 2.557 1.854 20.781 1.00 0.00 C ATOM 645 CG ASP A 48 1.523 1.540 21.844 1.00 0.00 C ATOM 646 OD1 ASP A 48 0.324 1.466 21.502 1.00 0.00 O ATOM 647 OD2 ASP A 48 1.912 1.369 23.018 1.00 0.00 O ATOM 0 H ASP A 48 4.014 -0.213 18.746 1.00 0.00 H new ATOM 0 HA ASP A 48 2.113 -0.058 19.908 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.554 1.775 21.214 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.433 2.885 20.451 1.00 0.00 H new ATOM 652 N GLY A 49 1.644 1.154 17.298 1.00 0.00 N ATOM 653 CA GLY A 49 0.742 1.627 16.264 1.00 0.00 C ATOM 654 C GLY A 49 -0.298 0.591 15.885 1.00 0.00 C ATOM 655 O GLY A 49 -0.244 -0.561 16.316 1.00 0.00 O ATOM 0 H GLY A 49 2.416 0.578 16.963 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.241 2.531 16.609 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.318 1.899 15.380 1.00 0.00 H new ATOM 659 N PRO A 50 -1.274 1.001 15.062 1.00 0.00 N ATOM 660 CA PRO A 50 -2.351 0.116 14.608 1.00 0.00 C ATOM 661 C PRO A 50 -1.853 -0.955 13.644 1.00 0.00 C ATOM 662 O PRO A 50 -2.299 -2.101 13.690 1.00 0.00 O ATOM 663 CB PRO A 50 -3.317 1.067 13.898 1.00 0.00 C ATOM 664 CG PRO A 50 -2.469 2.211 13.461 1.00 0.00 C ATOM 665 CD PRO A 50 -1.402 2.360 14.510 1.00 0.00 C ATOM 0 HA PRO A 50 -2.803 -0.433 15.434 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.797 0.582 13.048 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.112 1.396 14.567 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.030 2.019 12.482 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.059 3.123 13.373 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.463 2.710 14.081 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.690 3.080 15.276 1.00 0.00 H new ATOM 673 N ALA A 51 -0.926 -0.575 12.771 1.00 0.00 N ATOM 674 CA ALA A 51 -0.366 -1.503 11.798 1.00 0.00 C ATOM 675 C ALA A 51 0.555 -2.516 12.471 1.00 0.00 C ATOM 676 O ALA A 51 0.334 -3.723 12.383 1.00 0.00 O ATOM 677 CB ALA A 51 0.385 -0.743 10.714 1.00 0.00 C ATOM 0 H ALA A 51 -0.547 0.370 12.718 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.190 -2.049 11.339 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.798 -1.449 9.994 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.299 -0.064 10.205 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.195 -0.170 11.166 1.00 0.00 H new ATOM 683 N GLN A 52 1.587 -2.015 13.142 1.00 0.00 N ATOM 684 CA GLN A 52 2.542 -2.877 13.829 1.00 0.00 C ATOM 685 C GLN A 52 1.822 -3.899 14.702 1.00 0.00 C ATOM 686 O GLN A 52 2.180 -5.077 14.718 1.00 0.00 O ATOM 687 CB GLN A 52 3.495 -2.039 14.684 1.00 0.00 C ATOM 688 CG GLN A 52 4.373 -2.868 15.606 1.00 0.00 C ATOM 689 CD GLN A 52 4.976 -2.049 16.730 1.00 0.00 C ATOM 690 OE1 GLN A 52 4.266 -1.573 17.616 1.00 0.00 O ATOM 691 NE2 GLN A 52 6.293 -1.881 16.700 1.00 0.00 N ATOM 0 H GLN A 52 1.783 -1.017 13.225 1.00 0.00 H new ATOM 0 HA GLN A 52 3.118 -3.412 13.074 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.131 -1.445 14.028 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.912 -1.339 15.283 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.783 -3.680 16.030 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.174 -3.325 15.025 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.843 -2.294 15.946 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.755 -1.339 17.431 1.00 0.00 H new ATOM 700 N ARG A 53 0.807 -3.441 15.427 1.00 0.00 N ATOM 701 CA ARG A 53 0.038 -4.315 16.304 1.00 0.00 C ATOM 702 C ARG A 53 -0.690 -5.388 15.499 1.00 0.00 C ATOM 703 O ARG A 53 -0.632 -6.573 15.831 1.00 0.00 O ATOM 704 CB ARG A 53 -0.970 -3.500 17.116 1.00 0.00 C ATOM 705 CG ARG A 53 -0.351 -2.765 18.293 1.00 0.00 C ATOM 706 CD ARG A 53 -1.382 -1.927 19.032 1.00 0.00 C ATOM 707 NE ARG A 53 -2.138 -2.717 20.000 1.00 0.00 N ATOM 708 CZ ARG A 53 -3.129 -2.225 20.735 1.00 0.00 C ATOM 709 NH1 ARG A 53 -3.483 -0.954 20.613 1.00 0.00 N ATOM 710 NH2 ARG A 53 -3.770 -3.007 21.595 1.00 0.00 N ATOM 0 H ARG A 53 0.498 -2.469 15.424 1.00 0.00 H new ATOM 0 HA ARG A 53 0.732 -4.805 16.987 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.452 -2.776 16.459 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.751 -4.166 17.484 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.094 -3.485 18.980 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.455 -2.123 17.939 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.881 -1.107 19.546 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.069 -1.481 18.313 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.892 -3.700 20.118 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.994 -0.350 19.953 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.245 -0.580 21.179 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.502 -3.986 21.692 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.531 -2.629 22.159 1.00 0.00 H new ATOM 724 N CYS A 54 -1.374 -4.965 14.442 1.00 0.00 N ATOM 725 CA CYS A 54 -2.114 -5.889 13.590 1.00 0.00 C ATOM 726 C CYS A 54 -1.207 -7.003 13.078 1.00 0.00 C ATOM 727 O CYS A 54 -1.622 -8.156 12.972 1.00 0.00 O ATOM 728 CB CYS A 54 -2.738 -5.141 12.412 1.00 0.00 C ATOM 729 SG CYS A 54 -4.373 -4.451 12.758 1.00 0.00 S ATOM 0 H CYS A 54 -1.432 -3.988 14.154 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.908 -6.338 14.187 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.070 -4.333 12.114 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.815 -5.821 11.563 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.243 -3.260 13.263 1.00 0.00 H new ATOM 735 N GLY A 55 0.035 -6.649 12.760 1.00 0.00 N ATOM 736 CA GLY A 55 0.981 -7.629 12.261 1.00 0.00 C ATOM 737 C GLY A 55 0.820 -7.887 10.776 1.00 0.00 C ATOM 738 O GLY A 55 1.778 -8.252 10.095 1.00 0.00 O ATOM 0 H GLY A 55 0.402 -5.701 12.839 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.996 -7.283 12.459 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.851 -8.564 12.805 1.00 0.00 H new ATOM 742 N ARG A 56 -0.396 -7.699 10.273 1.00 0.00 N ATOM 743 CA ARG A 56 -0.680 -7.916 8.860 1.00 0.00 C ATOM 744 C ARG A 56 0.409 -7.302 7.986 1.00 0.00 C ATOM 745 O ARG A 56 0.701 -7.799 6.897 1.00 0.00 O ATOM 746 CB ARG A 56 -2.040 -7.320 8.494 1.00 0.00 C ATOM 747 CG ARG A 56 -3.218 -8.099 9.056 1.00 0.00 C ATOM 748 CD ARG A 56 -4.415 -7.195 9.305 1.00 0.00 C ATOM 749 NE ARG A 56 -5.247 -7.047 8.114 1.00 0.00 N ATOM 750 CZ ARG A 56 -5.994 -8.025 7.614 1.00 0.00 C ATOM 751 NH1 ARG A 56 -6.014 -9.214 8.198 1.00 0.00 N ATOM 752 NH2 ARG A 56 -6.725 -7.813 6.526 1.00 0.00 N ATOM 0 H ARG A 56 -1.200 -7.397 10.823 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.702 -8.991 8.680 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.087 -6.294 8.858 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.128 -7.277 7.408 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.497 -8.891 8.361 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.925 -8.582 9.988 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.015 -7.604 10.118 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.067 -6.214 9.628 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.255 -6.144 7.640 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.455 -9.381 9.034 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.589 -9.963 7.811 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.713 -6.899 6.074 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.298 -8.564 6.142 1.00 0.00 H new ATOM 766 N LEU A 57 1.007 -6.218 8.468 1.00 0.00 N ATOM 767 CA LEU A 57 2.064 -5.535 7.731 1.00 0.00 C ATOM 768 C LEU A 57 3.419 -5.752 8.396 1.00 0.00 C ATOM 769 O LEU A 57 3.553 -5.616 9.611 1.00 0.00 O ATOM 770 CB LEU A 57 1.762 -4.038 7.638 1.00 0.00 C ATOM 771 CG LEU A 57 0.530 -3.651 6.819 1.00 0.00 C ATOM 772 CD1 LEU A 57 0.022 -2.279 7.234 1.00 0.00 C ATOM 773 CD2 LEU A 57 0.849 -3.676 5.331 1.00 0.00 C ATOM 0 H LEU A 57 0.778 -5.793 9.366 1.00 0.00 H new ATOM 0 HA LEU A 57 2.102 -5.955 6.726 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.638 -3.649 8.649 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.630 -3.539 7.209 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.256 -4.381 7.014 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.855 -2.021 6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.247 -2.295 8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.803 -1.537 7.069 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.039 -3.398 4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.651 -2.969 5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.164 -4.679 5.043 1.00 0.00 H new ATOM 785 N GLU A 58 4.422 -6.087 7.589 1.00 0.00 N ATOM 786 CA GLU A 58 5.767 -6.321 8.101 1.00 0.00 C ATOM 787 C GLU A 58 6.812 -5.662 7.204 1.00 0.00 C ATOM 788 O GLU A 58 6.592 -5.480 6.007 1.00 0.00 O ATOM 789 CB GLU A 58 6.043 -7.822 8.206 1.00 0.00 C ATOM 790 CG GLU A 58 5.251 -8.511 9.305 1.00 0.00 C ATOM 791 CD GLU A 58 5.974 -9.714 9.878 1.00 0.00 C ATOM 792 OE1 GLU A 58 5.843 -10.814 9.302 1.00 0.00 O ATOM 793 OE2 GLU A 58 6.670 -9.556 10.903 1.00 0.00 O ATOM 0 H GLU A 58 4.328 -6.202 6.580 1.00 0.00 H new ATOM 0 HA GLU A 58 5.833 -5.877 9.094 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.810 -8.293 7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.107 -7.976 8.386 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.050 -7.798 10.104 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.286 -8.827 8.909 1.00 0.00 H new ATOM 800 N VAL A 59 7.949 -5.307 7.793 1.00 0.00 N ATOM 801 CA VAL A 59 9.029 -4.669 7.049 1.00 0.00 C ATOM 802 C VAL A 59 9.541 -5.577 5.937 1.00 0.00 C ATOM 803 O VAL A 59 10.094 -6.645 6.199 1.00 0.00 O ATOM 804 CB VAL A 59 10.203 -4.295 7.974 1.00 0.00 C ATOM 805 CG1 VAL A 59 11.425 -3.907 7.155 1.00 0.00 C ATOM 806 CG2 VAL A 59 9.802 -3.169 8.914 1.00 0.00 C ATOM 0 H VAL A 59 8.147 -5.450 8.783 1.00 0.00 H new ATOM 0 HA VAL A 59 8.618 -3.760 6.611 1.00 0.00 H new ATOM 0 HB VAL A 59 10.460 -5.166 8.576 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.244 -3.646 7.825 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.723 -4.746 6.527 1.00 0.00 H new ATOM 0 HG13 VAL A 59 11.184 -3.050 6.526 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.643 -2.918 9.560 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.517 -2.293 8.332 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.958 -3.488 9.525 1.00 0.00 H new ATOM 816 N GLY A 60 9.354 -5.145 4.694 1.00 0.00 N ATOM 817 CA GLY A 60 9.803 -5.931 3.560 1.00 0.00 C ATOM 818 C GLY A 60 8.669 -6.299 2.623 1.00 0.00 C ATOM 819 O GLY A 60 8.880 -6.977 1.618 1.00 0.00 O ATOM 0 H GLY A 60 8.899 -4.265 4.452 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.558 -5.370 3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.282 -6.841 3.920 1.00 0.00 H new ATOM 823 N ASP A 61 7.463 -5.852 2.954 1.00 0.00 N ATOM 824 CA ASP A 61 6.290 -6.138 2.135 1.00 0.00 C ATOM 825 C ASP A 61 6.343 -5.364 0.821 1.00 0.00 C ATOM 826 O ASP A 61 7.126 -4.425 0.672 1.00 0.00 O ATOM 827 CB ASP A 61 5.012 -5.787 2.897 1.00 0.00 C ATOM 828 CG ASP A 61 4.576 -4.353 2.669 1.00 0.00 C ATOM 829 OD1 ASP A 61 5.440 -3.517 2.330 1.00 0.00 O ATOM 830 OD2 ASP A 61 3.371 -4.067 2.828 1.00 0.00 O ATOM 0 H ASP A 61 7.271 -5.290 3.783 1.00 0.00 H new ATOM 0 HA ASP A 61 6.287 -7.204 1.908 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.212 -6.460 2.588 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.172 -5.950 3.963 1.00 0.00 H new ATOM 835 N LEU A 62 5.505 -5.764 -0.129 1.00 0.00 N ATOM 836 CA LEU A 62 5.456 -5.108 -1.431 1.00 0.00 C ATOM 837 C LEU A 62 4.080 -4.501 -1.684 1.00 0.00 C ATOM 838 O LEU A 62 3.070 -5.205 -1.685 1.00 0.00 O ATOM 839 CB LEU A 62 5.798 -6.106 -2.539 1.00 0.00 C ATOM 840 CG LEU A 62 7.047 -6.958 -2.314 1.00 0.00 C ATOM 841 CD1 LEU A 62 7.166 -8.027 -3.389 1.00 0.00 C ATOM 842 CD2 LEU A 62 8.292 -6.082 -2.291 1.00 0.00 C ATOM 0 H LEU A 62 4.851 -6.539 -0.022 1.00 0.00 H new ATOM 0 HA LEU A 62 6.192 -4.304 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.947 -6.774 -2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.922 -5.555 -3.471 1.00 0.00 H new ATOM 0 HG LEU A 62 6.956 -7.453 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.061 -8.623 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.288 -8.673 -3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.234 -7.553 -4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.172 -6.705 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.387 -5.559 -3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.210 -5.354 -1.484 1.00 0.00 H new ATOM 854 N VAL A 63 4.048 -3.190 -1.901 1.00 0.00 N ATOM 855 CA VAL A 63 2.796 -2.488 -2.158 1.00 0.00 C ATOM 856 C VAL A 63 2.450 -2.510 -3.643 1.00 0.00 C ATOM 857 O VAL A 63 3.288 -2.202 -4.492 1.00 0.00 O ATOM 858 CB VAL A 63 2.863 -1.026 -1.679 1.00 0.00 C ATOM 859 CG1 VAL A 63 1.515 -0.344 -1.855 1.00 0.00 C ATOM 860 CG2 VAL A 63 3.317 -0.962 -0.228 1.00 0.00 C ATOM 0 H VAL A 63 4.875 -2.593 -1.904 1.00 0.00 H new ATOM 0 HA VAL A 63 2.019 -3.010 -1.598 1.00 0.00 H new ATOM 0 HB VAL A 63 3.594 -0.495 -2.289 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.582 0.688 -1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.235 -0.358 -2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.761 -0.873 -1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.359 0.078 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.612 -1.508 0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.306 -1.410 -0.136 1.00 0.00 H new ATOM 870 N LEU A 64 1.210 -2.874 -3.950 1.00 0.00 N ATOM 871 CA LEU A 64 0.751 -2.935 -5.334 1.00 0.00 C ATOM 872 C LEU A 64 -0.247 -1.819 -5.626 1.00 0.00 C ATOM 873 O LEU A 64 -0.245 -1.239 -6.713 1.00 0.00 O ATOM 874 CB LEU A 64 0.111 -4.294 -5.620 1.00 0.00 C ATOM 875 CG LEU A 64 1.024 -5.511 -5.466 1.00 0.00 C ATOM 876 CD1 LEU A 64 0.219 -6.798 -5.566 1.00 0.00 C ATOM 877 CD2 LEU A 64 2.127 -5.487 -6.514 1.00 0.00 C ATOM 0 H LEU A 64 0.504 -3.131 -3.260 1.00 0.00 H new ATOM 0 HA LEU A 64 1.616 -2.803 -5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.743 -4.419 -4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.278 -4.283 -6.638 1.00 0.00 H new ATOM 0 HG LEU A 64 1.487 -5.471 -4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.885 -7.653 -5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.534 -6.819 -4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.272 -6.845 -6.538 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.767 -6.361 -6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.683 -5.502 -7.510 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.722 -4.582 -6.395 1.00 0.00 H new ATOM 889 N HIS A 65 -1.097 -1.521 -4.649 1.00 0.00 N ATOM 890 CA HIS A 65 -2.099 -0.471 -4.800 1.00 0.00 C ATOM 891 C HIS A 65 -2.406 0.185 -3.457 1.00 0.00 C ATOM 892 O HIS A 65 -1.958 -0.283 -2.410 1.00 0.00 O ATOM 893 CB HIS A 65 -3.381 -1.044 -5.405 1.00 0.00 C ATOM 894 CG HIS A 65 -3.167 -1.735 -6.717 1.00 0.00 C ATOM 895 ND1 HIS A 65 -2.520 -1.145 -7.782 1.00 0.00 N ATOM 896 CD2 HIS A 65 -3.517 -2.975 -7.132 1.00 0.00 C ATOM 897 CE1 HIS A 65 -2.483 -1.991 -8.796 1.00 0.00 C ATOM 898 NE2 HIS A 65 -3.081 -3.110 -8.427 1.00 0.00 N ATOM 0 H HIS A 65 -1.112 -1.991 -3.744 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.696 0.287 -5.471 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.822 -1.749 -4.700 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.101 -0.237 -5.542 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.042 -3.720 -6.552 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.039 -1.800 -9.762 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -3.199 -3.939 -9.009 1.00 0.00 H new ATOM 907 N ILE A 66 -3.170 1.271 -3.496 1.00 0.00 N ATOM 908 CA ILE A 66 -3.536 1.990 -2.282 1.00 0.00 C ATOM 909 C ILE A 66 -4.873 2.705 -2.449 1.00 0.00 C ATOM 910 O ILE A 66 -5.040 3.529 -3.347 1.00 0.00 O ATOM 911 CB ILE A 66 -2.461 3.022 -1.893 1.00 0.00 C ATOM 912 CG1 ILE A 66 -1.142 2.317 -1.567 1.00 0.00 C ATOM 913 CG2 ILE A 66 -2.929 3.855 -0.710 1.00 0.00 C ATOM 914 CD1 ILE A 66 -0.013 3.269 -1.240 1.00 0.00 C ATOM 0 H ILE A 66 -3.547 1.672 -4.354 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.619 1.247 -1.489 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.296 3.690 -2.739 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.297 1.646 -0.722 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.851 1.698 -2.416 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.158 4.579 -0.447 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.846 4.381 -0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.119 3.202 0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.890 2.700 -1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.169 3.923 -2.092 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.284 3.870 -0.372 1.00 0.00 H new ATOM 926 N ASN A 67 -5.822 2.384 -1.576 1.00 0.00 N ATOM 927 CA ASN A 67 -7.145 2.996 -1.626 1.00 0.00 C ATOM 928 C ASN A 67 -7.730 2.914 -3.032 1.00 0.00 C ATOM 929 O ASN A 67 -8.218 3.906 -3.572 1.00 0.00 O ATOM 930 CB ASN A 67 -7.071 4.457 -1.176 1.00 0.00 C ATOM 931 CG ASN A 67 -6.797 4.592 0.309 1.00 0.00 C ATOM 932 OD1 ASN A 67 -7.609 4.184 1.140 1.00 0.00 O ATOM 933 ND2 ASN A 67 -5.650 5.167 0.650 1.00 0.00 N ATOM 0 H ASN A 67 -5.700 1.704 -0.826 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.798 2.446 -0.948 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.287 4.967 -1.735 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.010 4.956 -1.416 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.412 5.286 1.635 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.007 5.490 -0.073 1.00 0.00 H new ATOM 940 N GLY A 68 -7.679 1.723 -3.620 1.00 0.00 N ATOM 941 CA GLY A 68 -8.208 1.532 -4.958 1.00 0.00 C ATOM 942 C GLY A 68 -7.544 2.436 -5.978 1.00 0.00 C ATOM 943 O GLY A 68 -8.136 2.762 -7.006 1.00 0.00 O ATOM 0 H GLY A 68 -7.281 0.886 -3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.071 0.492 -5.255 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.281 1.723 -4.952 1.00 0.00 H new ATOM 947 N GLU A 69 -6.311 2.844 -5.692 1.00 0.00 N ATOM 948 CA GLU A 69 -5.569 3.718 -6.592 1.00 0.00 C ATOM 949 C GLU A 69 -4.284 3.046 -7.066 1.00 0.00 C ATOM 950 O GLU A 69 -3.505 2.534 -6.262 1.00 0.00 O ATOM 951 CB GLU A 69 -5.238 5.041 -5.896 1.00 0.00 C ATOM 952 CG GLU A 69 -4.691 6.102 -6.836 1.00 0.00 C ATOM 953 CD GLU A 69 -4.868 7.508 -6.293 1.00 0.00 C ATOM 954 OE1 GLU A 69 -5.967 7.815 -5.787 1.00 0.00 O ATOM 955 OE2 GLU A 69 -3.905 8.300 -6.376 1.00 0.00 O ATOM 0 H GLU A 69 -5.806 2.583 -4.845 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.196 3.919 -7.461 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.138 5.423 -5.414 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.509 4.855 -5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.632 5.915 -7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.194 6.023 -7.800 1.00 0.00 H new ATOM 962 N SER A 70 -4.070 3.050 -8.378 1.00 0.00 N ATOM 963 CA SER A 70 -2.882 2.437 -8.961 1.00 0.00 C ATOM 964 C SER A 70 -1.637 3.261 -8.648 1.00 0.00 C ATOM 965 O SER A 70 -1.546 4.434 -9.010 1.00 0.00 O ATOM 966 CB SER A 70 -3.047 2.296 -10.476 1.00 0.00 C ATOM 967 OG SER A 70 -4.187 1.517 -10.794 1.00 0.00 O ATOM 0 H SER A 70 -4.704 3.471 -9.057 1.00 0.00 H new ATOM 0 HA SER A 70 -2.761 1.447 -8.522 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.140 3.283 -10.928 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.156 1.833 -10.901 1.00 0.00 H new ATOM 0 HG SER A 70 -4.272 1.443 -11.768 1.00 0.00 H new ATOM 973 N THR A 71 -0.677 2.636 -7.972 1.00 0.00 N ATOM 974 CA THR A 71 0.564 3.310 -7.608 1.00 0.00 C ATOM 975 C THR A 71 1.564 3.279 -8.758 1.00 0.00 C ATOM 976 O THR A 71 2.695 3.742 -8.620 1.00 0.00 O ATOM 977 CB THR A 71 1.208 2.667 -6.365 1.00 0.00 C ATOM 978 OG1 THR A 71 2.242 3.516 -5.855 1.00 0.00 O ATOM 979 CG2 THR A 71 1.786 1.301 -6.701 1.00 0.00 C ATOM 0 H THR A 71 -0.735 1.665 -7.666 1.00 0.00 H new ATOM 0 HA THR A 71 0.307 4.345 -7.381 1.00 0.00 H new ATOM 0 HB THR A 71 0.435 2.540 -5.607 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.737 3.914 -6.602 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.235 0.866 -5.808 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.991 0.648 -7.062 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.547 1.408 -7.474 1.00 0.00 H new ATOM 987 N GLN A 72 1.138 2.730 -9.892 1.00 0.00 N ATOM 988 CA GLN A 72 1.998 2.640 -11.066 1.00 0.00 C ATOM 989 C GLN A 72 2.596 4.000 -11.410 1.00 0.00 C ATOM 990 O GLN A 72 3.615 4.087 -12.092 1.00 0.00 O ATOM 991 CB GLN A 72 1.211 2.099 -12.260 1.00 0.00 C ATOM 992 CG GLN A 72 1.958 2.204 -13.580 1.00 0.00 C ATOM 993 CD GLN A 72 1.281 1.435 -14.697 1.00 0.00 C ATOM 994 OE1 GLN A 72 0.323 1.914 -15.304 1.00 0.00 O ATOM 995 NE2 GLN A 72 1.777 0.234 -14.975 1.00 0.00 N ATOM 0 H GLN A 72 0.204 2.342 -10.022 1.00 0.00 H new ATOM 0 HA GLN A 72 2.813 1.954 -10.836 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.961 1.054 -12.076 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.270 2.643 -12.341 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.040 3.253 -13.864 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.973 1.829 -13.449 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.572 -0.124 -14.446 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.362 -0.330 -15.717 1.00 0.00 H new ATOM 1004 N GLY A 73 1.952 5.061 -10.932 1.00 0.00 N ATOM 1005 CA GLY A 73 2.434 6.404 -11.200 1.00 0.00 C ATOM 1006 C GLY A 73 2.552 7.239 -9.941 1.00 0.00 C ATOM 1007 O GLY A 73 2.583 8.469 -10.003 1.00 0.00 O ATOM 0 H GLY A 73 1.106 5.015 -10.364 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.407 6.347 -11.687 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.757 6.897 -11.897 1.00 0.00 H new ATOM 1011 N LEU A 74 2.616 6.572 -8.794 1.00 0.00 N ATOM 1012 CA LEU A 74 2.730 7.261 -7.513 1.00 0.00 C ATOM 1013 C LEU A 74 3.954 6.779 -6.742 1.00 0.00 C ATOM 1014 O LEU A 74 4.242 5.582 -6.696 1.00 0.00 O ATOM 1015 CB LEU A 74 1.467 7.040 -6.678 1.00 0.00 C ATOM 1016 CG LEU A 74 0.138 7.278 -7.396 1.00 0.00 C ATOM 1017 CD1 LEU A 74 -1.020 6.746 -6.566 1.00 0.00 C ATOM 1018 CD2 LEU A 74 -0.051 8.759 -7.691 1.00 0.00 C ATOM 0 H LEU A 74 2.591 5.555 -8.725 1.00 0.00 H new ATOM 0 HA LEU A 74 2.845 8.327 -7.711 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.477 6.016 -6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.510 7.697 -5.809 1.00 0.00 H new ATOM 0 HG LEU A 74 0.157 6.739 -8.343 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.957 6.924 -7.093 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.891 5.675 -6.406 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.042 7.256 -5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.002 8.910 -8.202 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.049 9.319 -6.756 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.762 9.110 -8.326 1.00 0.00 H new ATOM 1030 N THR A 75 4.672 7.718 -6.133 1.00 0.00 N ATOM 1031 CA THR A 75 5.864 7.389 -5.363 1.00 0.00 C ATOM 1032 C THR A 75 5.597 7.492 -3.865 1.00 0.00 C ATOM 1033 O THR A 75 4.554 7.993 -3.444 1.00 0.00 O ATOM 1034 CB THR A 75 7.041 8.314 -5.727 1.00 0.00 C ATOM 1035 OG1 THR A 75 7.900 8.484 -4.593 1.00 0.00 O ATOM 1036 CG2 THR A 75 6.538 9.671 -6.196 1.00 0.00 C ATOM 0 H THR A 75 4.448 8.713 -6.159 1.00 0.00 H new ATOM 0 HA THR A 75 6.128 6.361 -5.613 1.00 0.00 H new ATOM 0 HB THR A 75 7.600 7.851 -6.540 1.00 0.00 H new ATOM 0 HG1 THR A 75 8.834 8.380 -4.872 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.387 10.307 -6.447 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.909 9.541 -7.076 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.957 10.139 -5.401 1.00 0.00 H new ATOM 1044 N HIS A 76 6.545 7.014 -3.066 1.00 0.00 N ATOM 1045 CA HIS A 76 6.412 7.053 -1.614 1.00 0.00 C ATOM 1046 C HIS A 76 5.666 8.308 -1.170 1.00 0.00 C ATOM 1047 O HIS A 76 4.700 8.232 -0.411 1.00 0.00 O ATOM 1048 CB HIS A 76 7.789 7.004 -0.952 1.00 0.00 C ATOM 1049 CG HIS A 76 7.785 7.458 0.475 1.00 0.00 C ATOM 1050 ND1 HIS A 76 8.880 8.034 1.085 1.00 0.00 N ATOM 1051 CD2 HIS A 76 6.810 7.420 1.413 1.00 0.00 C ATOM 1052 CE1 HIS A 76 8.579 8.329 2.337 1.00 0.00 C ATOM 1053 NE2 HIS A 76 7.328 7.967 2.561 1.00 0.00 N ATOM 0 H HIS A 76 7.413 6.595 -3.399 1.00 0.00 H new ATOM 0 HA HIS A 76 5.837 6.180 -1.304 1.00 0.00 H new ATOM 0 HB2 HIS A 76 8.169 5.984 -0.999 1.00 0.00 H new ATOM 0 HB3 HIS A 76 8.479 7.627 -1.521 1.00 0.00 H new ATOM 0 HD2 HIS A 76 5.811 7.032 1.283 1.00 0.00 H new ATOM 0 HE1 HIS A 76 9.242 8.788 3.055 1.00 0.00 H new ATOM 0 HE2 HIS A 76 6.828 8.076 3.443 1.00 0.00 H new ATOM 1062 N ALA A 77 6.121 9.461 -1.649 1.00 0.00 N ATOM 1063 CA ALA A 77 5.496 10.732 -1.302 1.00 0.00 C ATOM 1064 C ALA A 77 4.011 10.725 -1.649 1.00 0.00 C ATOM 1065 O ALA A 77 3.162 10.947 -0.786 1.00 0.00 O ATOM 1066 CB ALA A 77 6.201 11.877 -2.013 1.00 0.00 C ATOM 0 H ALA A 77 6.920 9.541 -2.278 1.00 0.00 H new ATOM 0 HA ALA A 77 5.590 10.874 -0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.724 12.820 -1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.249 11.902 -1.713 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.136 11.731 -3.091 1.00 0.00 H new ATOM 1072 N GLN A 78 3.705 10.471 -2.918 1.00 0.00 N ATOM 1073 CA GLN A 78 2.322 10.438 -3.378 1.00 0.00 C ATOM 1074 C GLN A 78 1.503 9.438 -2.568 1.00 0.00 C ATOM 1075 O GLN A 78 0.516 9.801 -1.930 1.00 0.00 O ATOM 1076 CB GLN A 78 2.265 10.078 -4.863 1.00 0.00 C ATOM 1077 CG GLN A 78 2.968 11.084 -5.760 1.00 0.00 C ATOM 1078 CD GLN A 78 2.499 12.506 -5.522 1.00 0.00 C ATOM 1079 OE1 GLN A 78 3.291 13.385 -5.181 1.00 0.00 O ATOM 1080 NE2 GLN A 78 1.204 12.740 -5.702 1.00 0.00 N ATOM 0 H GLN A 78 4.396 10.285 -3.645 1.00 0.00 H new ATOM 0 HA GLN A 78 1.894 11.430 -3.236 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.717 9.097 -5.008 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.222 9.997 -5.169 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.043 11.027 -5.591 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.795 10.818 -6.803 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.583 11.982 -5.985 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.830 13.678 -5.557 1.00 0.00 H new ATOM 1089 N ALA A 79 1.920 8.176 -2.600 1.00 0.00 N ATOM 1090 CA ALA A 79 1.226 7.124 -1.868 1.00 0.00 C ATOM 1091 C ALA A 79 0.773 7.615 -0.498 1.00 0.00 C ATOM 1092 O ALA A 79 -0.366 7.385 -0.090 1.00 0.00 O ATOM 1093 CB ALA A 79 2.122 5.903 -1.723 1.00 0.00 C ATOM 0 H ALA A 79 2.735 7.858 -3.125 1.00 0.00 H new ATOM 0 HA ALA A 79 0.339 6.845 -2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.591 5.125 -1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.392 5.530 -2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.026 6.178 -1.179 1.00 0.00 H new ATOM 1099 N VAL A 80 1.671 8.293 0.210 1.00 0.00 N ATOM 1100 CA VAL A 80 1.363 8.818 1.535 1.00 0.00 C ATOM 1101 C VAL A 80 0.223 9.829 1.474 1.00 0.00 C ATOM 1102 O VAL A 80 -0.783 9.686 2.167 1.00 0.00 O ATOM 1103 CB VAL A 80 2.594 9.486 2.174 1.00 0.00 C ATOM 1104 CG1 VAL A 80 2.228 10.113 3.511 1.00 0.00 C ATOM 1105 CG2 VAL A 80 3.721 8.478 2.339 1.00 0.00 C ATOM 0 H VAL A 80 2.618 8.492 -0.112 1.00 0.00 H new ATOM 0 HA VAL A 80 1.060 7.970 2.149 1.00 0.00 H new ATOM 0 HB VAL A 80 2.941 10.279 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.111 10.580 3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.455 10.867 3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.855 9.342 4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.583 8.967 2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.388 7.662 2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.000 8.081 1.363 1.00 0.00 H new ATOM 1115 N GLU A 81 0.390 10.851 0.640 1.00 0.00 N ATOM 1116 CA GLU A 81 -0.625 11.887 0.490 1.00 0.00 C ATOM 1117 C GLU A 81 -2.020 11.274 0.413 1.00 0.00 C ATOM 1118 O GLU A 81 -2.965 11.776 1.022 1.00 0.00 O ATOM 1119 CB GLU A 81 -0.353 12.721 -0.764 1.00 0.00 C ATOM 1120 CG GLU A 81 -0.861 14.150 -0.666 1.00 0.00 C ATOM 1121 CD GLU A 81 -1.228 14.731 -2.018 1.00 0.00 C ATOM 1122 OE1 GLU A 81 -2.107 14.156 -2.693 1.00 0.00 O ATOM 1123 OE2 GLU A 81 -0.637 15.763 -2.399 1.00 0.00 O ATOM 0 H GLU A 81 1.218 10.983 0.059 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.579 12.535 1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.720 12.738 -0.953 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.820 12.236 -1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.734 14.178 -0.013 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.096 14.773 -0.202 1.00 0.00 H new ATOM 1130 N ARG A 82 -2.142 10.186 -0.342 1.00 0.00 N ATOM 1131 CA ARG A 82 -3.421 9.506 -0.501 1.00 0.00 C ATOM 1132 C ARG A 82 -3.870 8.878 0.816 1.00 0.00 C ATOM 1133 O ARG A 82 -4.955 9.173 1.318 1.00 0.00 O ATOM 1134 CB ARG A 82 -3.319 8.430 -1.583 1.00 0.00 C ATOM 1135 CG ARG A 82 -2.933 8.974 -2.949 1.00 0.00 C ATOM 1136 CD ARG A 82 -4.094 9.703 -3.606 1.00 0.00 C ATOM 1137 NE ARG A 82 -4.289 11.038 -3.048 1.00 0.00 N ATOM 1138 CZ ARG A 82 -5.304 11.830 -3.375 1.00 0.00 C ATOM 1139 NH1 ARG A 82 -6.212 11.423 -4.251 1.00 0.00 N ATOM 1140 NH2 ARG A 82 -5.413 13.032 -2.823 1.00 0.00 N ATOM 0 H ARG A 82 -1.370 9.757 -0.853 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.163 10.246 -0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.583 7.687 -1.276 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.277 7.916 -1.664 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.087 9.653 -2.846 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.607 8.154 -3.590 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -3.913 9.781 -4.678 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.006 9.120 -3.479 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.609 11.381 -2.370 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.132 10.499 -4.676 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.990 12.034 -4.500 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.717 13.348 -2.147 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.193 13.640 -3.074 1.00 0.00 H new ATOM 1154 N ILE A 83 -3.029 8.010 1.368 1.00 0.00 N ATOM 1155 CA ILE A 83 -3.339 7.341 2.625 1.00 0.00 C ATOM 1156 C ILE A 83 -3.837 8.335 3.669 1.00 0.00 C ATOM 1157 O ILE A 83 -4.809 8.072 4.377 1.00 0.00 O ATOM 1158 CB ILE A 83 -2.112 6.598 3.185 1.00 0.00 C ATOM 1159 CG1 ILE A 83 -1.590 5.586 2.163 1.00 0.00 C ATOM 1160 CG2 ILE A 83 -2.464 5.904 4.493 1.00 0.00 C ATOM 1161 CD1 ILE A 83 -0.116 5.283 2.311 1.00 0.00 C ATOM 0 H ILE A 83 -2.128 7.754 0.965 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.126 6.617 2.411 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.325 7.326 3.382 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.155 4.659 2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.775 5.968 1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.586 5.383 4.876 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.793 6.645 5.221 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.265 5.186 4.320 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.184 4.558 1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.459 6.200 2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.073 4.871 3.302 1.00 0.00 H new ATOM 1173 N ARG A 84 -3.165 9.478 3.757 1.00 0.00 N ATOM 1174 CA ARG A 84 -3.540 10.513 4.713 1.00 0.00 C ATOM 1175 C ARG A 84 -4.954 11.018 4.442 1.00 0.00 C ATOM 1176 O ARG A 84 -5.780 11.098 5.351 1.00 0.00 O ATOM 1177 CB ARG A 84 -2.551 11.678 4.650 1.00 0.00 C ATOM 1178 CG ARG A 84 -1.196 11.360 5.263 1.00 0.00 C ATOM 1179 CD ARG A 84 -1.328 10.936 6.717 1.00 0.00 C ATOM 1180 NE ARG A 84 -0.131 11.255 7.491 1.00 0.00 N ATOM 1181 CZ ARG A 84 0.273 12.496 7.741 1.00 0.00 C ATOM 1182 NH1 ARG A 84 -0.421 13.528 7.282 1.00 0.00 N ATOM 1183 NH2 ARG A 84 1.372 12.705 8.454 1.00 0.00 N ATOM 0 H ARG A 84 -2.358 9.711 3.178 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.514 10.076 5.711 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.410 11.968 3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.981 12.537 5.165 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.715 10.565 4.693 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.550 12.236 5.195 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.190 11.432 7.162 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.516 9.864 6.766 1.00 0.00 H new ATOM 0 HE ARG A 84 0.425 10.483 7.860 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.268 13.371 6.735 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.108 14.479 7.476 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.907 11.913 8.810 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.682 13.658 8.646 1.00 0.00 H new ATOM 1197 N ALA A 85 -5.225 11.357 3.186 1.00 0.00 N ATOM 1198 CA ALA A 85 -6.539 11.852 2.795 1.00 0.00 C ATOM 1199 C ALA A 85 -7.585 10.744 2.858 1.00 0.00 C ATOM 1200 O ALA A 85 -8.777 11.010 3.002 1.00 0.00 O ATOM 1201 CB ALA A 85 -6.484 12.448 1.396 1.00 0.00 C ATOM 0 H ALA A 85 -4.552 11.298 2.422 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.830 12.631 3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.472 12.814 1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.774 13.275 1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.167 11.683 0.687 1.00 0.00 H new ATOM 1207 N GLY A 86 -7.129 9.500 2.749 1.00 0.00 N ATOM 1208 CA GLY A 86 -8.039 8.370 2.796 1.00 0.00 C ATOM 1209 C GLY A 86 -9.090 8.516 3.878 1.00 0.00 C ATOM 1210 O GLY A 86 -10.223 8.064 3.719 1.00 0.00 O ATOM 0 H GLY A 86 -6.146 9.254 2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.530 8.263 1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.470 7.456 2.968 1.00 0.00 H new ATOM 1214 N GLY A 87 -8.713 9.148 4.985 1.00 0.00 N ATOM 1215 CA GLY A 87 -9.642 9.340 6.084 1.00 0.00 C ATOM 1216 C GLY A 87 -9.274 8.519 7.304 1.00 0.00 C ATOM 1217 O GLY A 87 -8.121 8.131 7.493 1.00 0.00 O ATOM 0 H GLY A 87 -7.780 9.531 5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.667 10.396 6.354 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.647 9.070 5.758 1.00 0.00 H new ATOM 1221 N PRO A 88 -10.270 8.244 8.159 1.00 0.00 N ATOM 1222 CA PRO A 88 -10.070 7.463 9.383 1.00 0.00 C ATOM 1223 C PRO A 88 -9.783 5.994 9.093 1.00 0.00 C ATOM 1224 O PRO A 88 -9.198 5.292 9.917 1.00 0.00 O ATOM 1225 CB PRO A 88 -11.403 7.612 10.121 1.00 0.00 C ATOM 1226 CG PRO A 88 -12.400 7.889 9.050 1.00 0.00 C ATOM 1227 CD PRO A 88 -11.669 8.675 7.997 1.00 0.00 C ATOM 0 HA PRO A 88 -9.210 7.813 9.954 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -11.654 6.705 10.671 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.365 8.425 10.846 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.798 6.962 8.638 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.246 8.454 9.441 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -12.044 8.454 6.998 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -11.779 9.749 8.149 1.00 0.00 H new ATOM 1235 N GLN A 89 -10.197 5.536 7.916 1.00 0.00 N ATOM 1236 CA GLN A 89 -9.984 4.150 7.518 1.00 0.00 C ATOM 1237 C GLN A 89 -8.859 4.045 6.493 1.00 0.00 C ATOM 1238 O GLN A 89 -8.900 4.686 5.442 1.00 0.00 O ATOM 1239 CB GLN A 89 -11.272 3.559 6.941 1.00 0.00 C ATOM 1240 CG GLN A 89 -12.264 3.111 8.002 1.00 0.00 C ATOM 1241 CD GLN A 89 -13.299 2.145 7.462 1.00 0.00 C ATOM 1242 OE1 GLN A 89 -13.398 1.935 6.253 1.00 0.00 O ATOM 1243 NE2 GLN A 89 -14.079 1.550 8.358 1.00 0.00 N ATOM 0 H GLN A 89 -10.682 6.105 7.222 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.698 3.584 8.404 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.748 4.302 6.301 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -11.020 2.708 6.308 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.724 2.638 8.822 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.768 3.985 8.414 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.962 1.753 9.351 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.794 0.890 8.053 1.00 0.00 H new ATOM 1252 N LEU A 90 -7.855 3.233 6.806 1.00 0.00 N ATOM 1253 CA LEU A 90 -6.718 3.043 5.912 1.00 0.00 C ATOM 1254 C LEU A 90 -6.900 1.794 5.056 1.00 0.00 C ATOM 1255 O LEU A 90 -7.321 0.747 5.549 1.00 0.00 O ATOM 1256 CB LEU A 90 -5.422 2.938 6.719 1.00 0.00 C ATOM 1257 CG LEU A 90 -4.241 2.276 6.009 1.00 0.00 C ATOM 1258 CD1 LEU A 90 -2.925 2.817 6.544 1.00 0.00 C ATOM 1259 CD2 LEU A 90 -4.303 0.764 6.169 1.00 0.00 C ATOM 0 H LEU A 90 -7.805 2.696 7.672 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.659 3.908 5.251 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.123 3.942 7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.630 2.380 7.632 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.301 2.512 4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.096 2.334 6.027 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.879 3.893 6.377 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.855 2.612 7.612 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.455 0.309 5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.268 0.508 7.228 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.231 0.390 5.736 1.00 0.00 H new ATOM 1271 N HIS A 91 -6.578 1.910 3.772 1.00 0.00 N ATOM 1272 CA HIS A 91 -6.703 0.789 2.847 1.00 0.00 C ATOM 1273 C HIS A 91 -5.455 0.658 1.980 1.00 0.00 C ATOM 1274 O HIS A 91 -5.212 1.481 1.096 1.00 0.00 O ATOM 1275 CB HIS A 91 -7.937 0.966 1.963 1.00 0.00 C ATOM 1276 CG HIS A 91 -8.465 -0.321 1.408 1.00 0.00 C ATOM 1277 ND1 HIS A 91 -8.413 -0.640 0.067 1.00 0.00 N ATOM 1278 CD2 HIS A 91 -9.058 -1.372 2.020 1.00 0.00 C ATOM 1279 CE1 HIS A 91 -8.952 -1.832 -0.121 1.00 0.00 C ATOM 1280 NE2 HIS A 91 -9.351 -2.298 1.049 1.00 0.00 N ATOM 0 H HIS A 91 -6.228 2.769 3.348 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.813 -0.123 3.433 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -8.722 1.452 2.542 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.690 1.634 1.138 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.263 -1.465 3.076 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.050 -2.339 -1.070 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.803 -3.199 1.206 1.00 0.00 H new ATOM 1289 N LEU A 92 -4.666 -0.379 2.239 1.00 0.00 N ATOM 1290 CA LEU A 92 -3.442 -0.618 1.482 1.00 0.00 C ATOM 1291 C LEU A 92 -3.396 -2.049 0.957 1.00 0.00 C ATOM 1292 O LEU A 92 -3.572 -3.004 1.713 1.00 0.00 O ATOM 1293 CB LEU A 92 -2.217 -0.343 2.356 1.00 0.00 C ATOM 1294 CG LEU A 92 -2.256 0.943 3.182 1.00 0.00 C ATOM 1295 CD1 LEU A 92 -1.029 1.042 4.074 1.00 0.00 C ATOM 1296 CD2 LEU A 92 -2.355 2.158 2.271 1.00 0.00 C ATOM 0 H LEU A 92 -4.852 -1.068 2.968 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.433 0.062 0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.085 -1.184 3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.337 -0.312 1.714 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.141 0.917 3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.074 1.964 4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.001 0.188 4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.130 1.045 3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.382 3.065 2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.489 2.188 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.265 2.092 1.675 1.00 0.00 H new ATOM 1308 N VAL A 93 -3.158 -2.190 -0.343 1.00 0.00 N ATOM 1309 CA VAL A 93 -3.086 -3.505 -0.969 1.00 0.00 C ATOM 1310 C VAL A 93 -1.672 -4.071 -0.895 1.00 0.00 C ATOM 1311 O VAL A 93 -0.754 -3.561 -1.536 1.00 0.00 O ATOM 1312 CB VAL A 93 -3.528 -3.450 -2.443 1.00 0.00 C ATOM 1313 CG1 VAL A 93 -3.873 -4.842 -2.949 1.00 0.00 C ATOM 1314 CG2 VAL A 93 -4.709 -2.506 -2.609 1.00 0.00 C ATOM 0 H VAL A 93 -3.012 -1.410 -0.983 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.765 -4.156 -0.418 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.699 -3.068 -3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.183 -4.783 -3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.998 -5.486 -2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.686 -5.255 -2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.009 -2.479 -3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.543 -2.857 -2.002 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.422 -1.505 -2.288 1.00 0.00 H new ATOM 1324 N ILE A 94 -1.505 -5.130 -0.109 1.00 0.00 N ATOM 1325 CA ILE A 94 -0.204 -5.767 0.048 1.00 0.00 C ATOM 1326 C ILE A 94 -0.263 -7.240 -0.341 1.00 0.00 C ATOM 1327 O ILE A 94 -1.266 -7.915 -0.107 1.00 0.00 O ATOM 1328 CB ILE A 94 0.310 -5.650 1.495 1.00 0.00 C ATOM 1329 CG1 ILE A 94 0.441 -4.179 1.895 1.00 0.00 C ATOM 1330 CG2 ILE A 94 1.645 -6.365 1.642 1.00 0.00 C ATOM 1331 CD1 ILE A 94 1.340 -3.380 0.976 1.00 0.00 C ATOM 0 H ILE A 94 -2.255 -5.564 0.429 1.00 0.00 H new ATOM 0 HA ILE A 94 0.485 -5.245 -0.616 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.410 -6.126 2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.550 -3.724 1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.830 -4.121 2.912 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.995 -6.274 2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.523 -7.419 1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.375 -5.915 0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.386 -2.347 1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.342 -3.810 0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.941 -3.407 -0.038 1.00 0.00 H new ATOM 1343 N ARG A 95 0.819 -7.734 -0.935 1.00 0.00 N ATOM 1344 CA ARG A 95 0.891 -9.128 -1.355 1.00 0.00 C ATOM 1345 C ARG A 95 2.135 -9.804 -0.787 1.00 0.00 C ATOM 1346 O ARG A 95 3.229 -9.676 -1.338 1.00 0.00 O ATOM 1347 CB ARG A 95 0.898 -9.222 -2.882 1.00 0.00 C ATOM 1348 CG ARG A 95 1.103 -10.635 -3.404 1.00 0.00 C ATOM 1349 CD ARG A 95 0.995 -10.690 -4.920 1.00 0.00 C ATOM 1350 NE ARG A 95 0.894 -12.062 -5.412 1.00 0.00 N ATOM 1351 CZ ARG A 95 1.906 -12.922 -5.403 1.00 0.00 C ATOM 1352 NH1 ARG A 95 3.089 -12.554 -4.929 1.00 0.00 N ATOM 1353 NH2 ARG A 95 1.737 -14.153 -5.868 1.00 0.00 N ATOM 0 H ARG A 95 1.658 -7.189 -1.136 1.00 0.00 H new ATOM 0 HA ARG A 95 0.011 -9.644 -0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.046 -8.835 -3.266 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.688 -8.581 -3.274 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.082 -11.000 -3.094 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.361 -11.299 -2.961 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.121 -10.124 -5.242 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.867 -10.209 -5.363 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.003 -12.377 -5.783 1.00 0.00 H new ATOM 0 HH11 ARG A 95 3.223 -11.609 -4.570 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.865 -13.216 -4.923 1.00 0.00 H new ATOM 0 HH21 ARG A 95 0.829 -14.440 -6.233 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.515 -14.812 -5.860 1.00 0.00 H new ATOM 1367 N ARG A 96 1.960 -10.523 0.317 1.00 0.00 N ATOM 1368 CA ARG A 96 3.069 -11.217 0.960 1.00 0.00 C ATOM 1369 C ARG A 96 3.890 -11.996 -0.063 1.00 0.00 C ATOM 1370 O ARG A 96 3.479 -13.048 -0.554 1.00 0.00 O ATOM 1371 CB ARG A 96 2.546 -12.166 2.040 1.00 0.00 C ATOM 1372 CG ARG A 96 3.646 -12.818 2.863 1.00 0.00 C ATOM 1373 CD ARG A 96 3.074 -13.617 4.023 1.00 0.00 C ATOM 1374 NE ARG A 96 4.066 -14.513 4.612 1.00 0.00 N ATOM 1375 CZ ARG A 96 3.914 -15.105 5.791 1.00 0.00 C ATOM 1376 NH1 ARG A 96 2.815 -14.897 6.504 1.00 0.00 N ATOM 1377 NH2 ARG A 96 4.861 -15.907 6.260 1.00 0.00 N ATOM 0 H ARG A 96 1.061 -10.640 0.785 1.00 0.00 H new ATOM 0 HA ARG A 96 3.713 -10.470 1.423 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.884 -11.614 2.707 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.947 -12.945 1.568 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.239 -13.474 2.225 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.319 -12.051 3.245 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.704 -12.933 4.787 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.220 -14.199 3.676 1.00 0.00 H new ATOM 0 HE ARG A 96 4.923 -14.694 4.089 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.084 -14.281 6.147 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.701 -15.353 7.409 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.708 -16.070 5.715 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.743 -16.361 7.166 1.00 0.00 H new ATOM 1391 N PRO A 97 5.078 -11.468 -0.394 1.00 0.00 N ATOM 1392 CA PRO A 97 5.981 -12.098 -1.362 1.00 0.00 C ATOM 1393 C PRO A 97 6.593 -13.389 -0.830 1.00 0.00 C ATOM 1394 O PRO A 97 6.584 -13.641 0.376 1.00 0.00 O ATOM 1395 CB PRO A 97 7.067 -11.040 -1.574 1.00 0.00 C ATOM 1396 CG PRO A 97 7.058 -10.232 -0.322 1.00 0.00 C ATOM 1397 CD PRO A 97 5.631 -10.217 0.152 1.00 0.00 C ATOM 0 HA PRO A 97 5.462 -12.386 -2.276 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.041 -11.500 -1.741 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.853 -10.422 -2.446 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.714 -10.670 0.430 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.418 -9.220 -0.508 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.569 -10.191 1.240 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.093 -9.344 -0.219 1.00 0.00 H new