USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 655 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 SER OG : rot -8:sc= 0.85! USER MOD Set 1.2: A 72 GLN : amide:sc= 0 K(o=0.85,f=-0.1) USER MOD Set 2.1: A 14 SER OG : rot 150:sc= -0.154 USER MOD Set 2.2: A 91 HIS : no HD1:sc= -3.41! C(o=-3.6!,f=-2.7!) USER MOD Single : A 12 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-0.36) 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= 0.0353 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -4.04! C(o=-4!,f=-5!) USER MOD Single : A 54 CYS SG : rot -23:sc= -1.05 USER MOD Single : A 65 HIS : no HD1:sc= -2.47! C(o=-2.5!,f=-5!) USER MOD Single : A 67 ASN : amide:sc= -0.509 K(o=-0.51,f=-1.1) USER MOD Single : A 71 THR OG1 : rot -9:sc= 1.14 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.376 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 78 GLN : amide:sc= -0.535 K(o=-0.54,f=-2) USER MOD Single : A 89 GLN : amide:sc= -2.47 X(o=-2.5,f=-2.7) USER MOD ----------------------------------------------------------------- ATOM 111 N HIS A 12 -3.436 -10.583 -3.872 1.00 0.00 N ATOM 112 CA HIS A 12 -3.367 -9.240 -3.308 1.00 0.00 C ATOM 113 C HIS A 12 -4.431 -9.047 -2.232 1.00 0.00 C ATOM 114 O HIS A 12 -5.615 -9.295 -2.464 1.00 0.00 O ATOM 115 CB HIS A 12 -3.540 -8.192 -4.408 1.00 0.00 C ATOM 116 CG HIS A 12 -3.020 -8.632 -5.741 1.00 0.00 C ATOM 117 ND1 HIS A 12 -3.816 -9.213 -6.706 1.00 0.00 N ATOM 118 CD2 HIS A 12 -1.775 -8.571 -6.270 1.00 0.00 C ATOM 119 CE1 HIS A 12 -3.084 -9.492 -7.769 1.00 0.00 C ATOM 120 NE2 HIS A 12 -1.842 -9.112 -7.531 1.00 0.00 N ATOM 0 HA HIS A 12 -2.386 -9.115 -2.850 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.598 -7.948 -4.503 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.027 -7.277 -4.111 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -0.894 -8.172 -5.790 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -3.441 -9.953 -8.678 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -1.059 -9.205 -8.178 1.00 0.00 H new ATOM 129 N PHE A 13 -4.002 -8.604 -1.055 1.00 0.00 N ATOM 130 CA PHE A 13 -4.918 -8.379 0.057 1.00 0.00 C ATOM 131 C PHE A 13 -4.869 -6.925 0.517 1.00 0.00 C ATOM 132 O PHE A 13 -3.895 -6.215 0.265 1.00 0.00 O ATOM 133 CB PHE A 13 -4.574 -9.307 1.224 1.00 0.00 C ATOM 134 CG PHE A 13 -3.164 -9.151 1.718 1.00 0.00 C ATOM 135 CD1 PHE A 13 -2.835 -8.139 2.605 1.00 0.00 C ATOM 136 CD2 PHE A 13 -2.169 -10.017 1.296 1.00 0.00 C ATOM 137 CE1 PHE A 13 -1.538 -7.993 3.060 1.00 0.00 C ATOM 138 CE2 PHE A 13 -0.870 -9.877 1.748 1.00 0.00 C ATOM 139 CZ PHE A 13 -0.555 -8.864 2.632 1.00 0.00 C ATOM 0 H PHE A 13 -3.026 -8.394 -0.847 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.929 -8.598 -0.287 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.262 -9.114 2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.730 -10.340 0.914 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.600 -7.457 2.945 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.411 -10.811 0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.293 -7.199 3.750 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.103 -10.558 1.410 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.458 -8.753 2.988 1.00 0.00 H new ATOM 149 N SER A 14 -5.927 -6.488 1.192 1.00 0.00 N ATOM 150 CA SER A 14 -6.008 -5.117 1.684 1.00 0.00 C ATOM 151 C SER A 14 -5.778 -5.067 3.191 1.00 0.00 C ATOM 152 O SER A 14 -5.970 -6.059 3.894 1.00 0.00 O ATOM 153 CB SER A 14 -7.370 -4.510 1.343 1.00 0.00 C ATOM 154 OG SER A 14 -7.748 -4.820 0.013 1.00 0.00 O ATOM 0 H SER A 14 -6.740 -7.063 1.411 1.00 0.00 H new ATOM 0 HA SER A 14 -5.227 -4.534 1.195 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.123 -4.886 2.035 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.332 -3.428 1.471 1.00 0.00 H new ATOM 0 HG SER A 14 -8.725 -4.869 -0.046 1.00 0.00 H new ATOM 160 N VAL A 15 -5.365 -3.902 3.682 1.00 0.00 N ATOM 161 CA VAL A 15 -5.110 -3.720 5.106 1.00 0.00 C ATOM 162 C VAL A 15 -6.061 -2.692 5.707 1.00 0.00 C ATOM 163 O VAL A 15 -6.120 -1.548 5.257 1.00 0.00 O ATOM 164 CB VAL A 15 -3.658 -3.272 5.363 1.00 0.00 C ATOM 165 CG1 VAL A 15 -3.399 -3.133 6.855 1.00 0.00 C ATOM 166 CG2 VAL A 15 -2.680 -4.252 4.732 1.00 0.00 C ATOM 0 H VAL A 15 -5.200 -3.071 3.114 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.275 -4.686 5.584 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.509 -2.296 4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.369 -2.816 7.017 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.078 -2.390 7.274 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.565 -4.093 7.344 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.659 -3.921 4.923 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.827 -5.242 5.164 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.852 -4.296 3.657 1.00 0.00 H new ATOM 176 N GLU A 16 -6.804 -3.107 6.728 1.00 0.00 N ATOM 177 CA GLU A 16 -7.754 -2.221 7.391 1.00 0.00 C ATOM 178 C GLU A 16 -7.257 -1.834 8.781 1.00 0.00 C ATOM 179 O GLU A 16 -7.068 -2.689 9.647 1.00 0.00 O ATOM 180 CB GLU A 16 -9.124 -2.894 7.497 1.00 0.00 C ATOM 181 CG GLU A 16 -9.785 -3.145 6.152 1.00 0.00 C ATOM 182 CD GLU A 16 -11.128 -3.836 6.281 1.00 0.00 C ATOM 183 OE1 GLU A 16 -11.149 -5.081 6.370 1.00 0.00 O ATOM 184 OE2 GLU A 16 -12.158 -3.130 6.294 1.00 0.00 O ATOM 0 H GLU A 16 -6.767 -4.050 7.114 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.847 -1.315 6.791 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.013 -3.844 8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.780 -2.270 8.104 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.918 -2.195 5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.125 -3.755 5.535 1.00 0.00 H new ATOM 191 N LEU A 17 -7.046 -0.538 8.987 1.00 0.00 N ATOM 192 CA LEU A 17 -6.570 -0.036 10.271 1.00 0.00 C ATOM 193 C LEU A 17 -7.312 1.237 10.667 1.00 0.00 C ATOM 194 O LEU A 17 -7.835 1.954 9.813 1.00 0.00 O ATOM 195 CB LEU A 17 -5.066 0.236 10.209 1.00 0.00 C ATOM 196 CG LEU A 17 -4.200 -0.900 9.662 1.00 0.00 C ATOM 197 CD1 LEU A 17 -2.776 -0.421 9.428 1.00 0.00 C ATOM 198 CD2 LEU A 17 -4.216 -2.088 10.613 1.00 0.00 C ATOM 0 H LEU A 17 -7.197 0.183 8.282 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.765 -0.798 11.026 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.902 1.120 9.593 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.719 0.479 11.213 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.615 -1.220 8.706 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.175 -1.243 9.039 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.781 0.397 8.708 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.350 -0.074 10.369 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.595 -2.887 10.208 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.826 -1.782 11.584 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.239 -2.447 10.729 1.00 0.00 H new ATOM 210 N VAL A 18 -7.352 1.513 11.966 1.00 0.00 N ATOM 211 CA VAL A 18 -8.027 2.701 12.475 1.00 0.00 C ATOM 212 C VAL A 18 -7.021 3.746 12.945 1.00 0.00 C ATOM 213 O VAL A 18 -6.280 3.522 13.902 1.00 0.00 O ATOM 214 CB VAL A 18 -8.972 2.354 13.641 1.00 0.00 C ATOM 215 CG1 VAL A 18 -9.662 3.606 14.160 1.00 0.00 C ATOM 216 CG2 VAL A 18 -9.994 1.313 13.206 1.00 0.00 C ATOM 0 H VAL A 18 -6.925 0.930 12.686 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.613 3.109 11.651 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.380 1.932 14.453 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.325 3.341 14.983 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.913 4.315 14.512 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.243 4.060 13.358 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.654 1.079 14.042 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.583 1.706 12.377 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.478 0.408 12.887 1.00 0.00 H new ATOM 226 N ARG A 19 -7.001 4.888 12.265 1.00 0.00 N ATOM 227 CA ARG A 19 -6.085 5.968 12.613 1.00 0.00 C ATOM 228 C ARG A 19 -5.947 6.097 14.127 1.00 0.00 C ATOM 229 O ARG A 19 -6.863 6.557 14.807 1.00 0.00 O ATOM 230 CB ARG A 19 -6.575 7.290 12.020 1.00 0.00 C ATOM 231 CG ARG A 19 -5.455 8.273 11.718 1.00 0.00 C ATOM 232 CD ARG A 19 -6.002 9.619 11.267 1.00 0.00 C ATOM 233 NE ARG A 19 -4.936 10.562 10.943 1.00 0.00 N ATOM 234 CZ ARG A 19 -4.287 10.568 9.783 1.00 0.00 C ATOM 235 NH1 ARG A 19 -4.596 9.686 8.843 1.00 0.00 N ATOM 236 NH2 ARG A 19 -3.328 11.458 9.563 1.00 0.00 N ATOM 0 H ARG A 19 -7.608 5.089 11.470 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.106 5.730 12.196 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.125 7.085 11.101 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.276 7.753 12.715 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.839 8.409 12.607 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.809 7.863 10.942 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.638 9.477 10.394 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.629 10.037 12.054 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.675 11.254 11.645 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.333 9.001 9.009 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.097 9.692 7.954 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.088 12.138 10.284 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.830 11.462 8.673 1.00 0.00 H new ATOM 250 N GLY A 20 -4.794 5.687 14.648 1.00 0.00 N ATOM 251 CA GLY A 20 -4.557 5.765 16.077 1.00 0.00 C ATOM 252 C GLY A 20 -3.803 7.019 16.473 1.00 0.00 C ATOM 253 O GLY A 20 -4.034 8.092 15.915 1.00 0.00 O ATOM 0 H GLY A 20 -4.020 5.302 14.106 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.512 5.738 16.602 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.992 4.889 16.397 1.00 0.00 H new ATOM 257 N TYR A 21 -2.901 6.885 17.439 1.00 0.00 N ATOM 258 CA TYR A 21 -2.114 8.018 17.912 1.00 0.00 C ATOM 259 C TYR A 21 -0.978 8.334 16.944 1.00 0.00 C ATOM 260 O TYR A 21 -0.202 7.454 16.572 1.00 0.00 O ATOM 261 CB TYR A 21 -1.548 7.727 19.303 1.00 0.00 C ATOM 262 CG TYR A 21 -0.835 8.907 19.924 1.00 0.00 C ATOM 263 CD1 TYR A 21 0.512 9.139 19.677 1.00 0.00 C ATOM 264 CD2 TYR A 21 -1.509 9.790 20.759 1.00 0.00 C ATOM 265 CE1 TYR A 21 1.168 10.214 20.244 1.00 0.00 C ATOM 266 CE2 TYR A 21 -0.862 10.869 21.329 1.00 0.00 C ATOM 267 CZ TYR A 21 0.477 11.077 21.069 1.00 0.00 C ATOM 268 OH TYR A 21 1.126 12.150 21.634 1.00 0.00 O ATOM 0 H TYR A 21 -2.697 6.003 17.910 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.771 8.886 17.969 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.361 7.417 19.960 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.855 6.888 19.236 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.056 8.467 19.030 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.557 9.630 20.966 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.216 10.378 20.043 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.401 11.546 21.975 1.00 0.00 H new ATOM 0 HH TYR A 21 0.497 12.659 22.187 1.00 0.00 H new ATOM 278 N ALA A 22 -0.888 9.597 16.540 1.00 0.00 N ATOM 279 CA ALA A 22 0.154 10.031 15.617 1.00 0.00 C ATOM 280 C ALA A 22 0.054 9.290 14.288 1.00 0.00 C ATOM 281 O ALA A 22 1.046 8.765 13.783 1.00 0.00 O ATOM 282 CB ALA A 22 1.528 9.825 16.238 1.00 0.00 C ATOM 0 H ALA A 22 -1.524 10.337 16.837 1.00 0.00 H new ATOM 0 HA ALA A 22 0.012 11.094 15.421 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.297 10.153 15.538 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.603 10.406 17.157 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.670 8.768 16.464 1.00 0.00 H new ATOM 288 N GLY A 23 -1.150 9.249 13.727 1.00 0.00 N ATOM 289 CA GLY A 23 -1.356 8.568 12.462 1.00 0.00 C ATOM 290 C GLY A 23 -1.376 7.060 12.612 1.00 0.00 C ATOM 291 O GLY A 23 -1.730 6.538 13.669 1.00 0.00 O ATOM 0 H GLY A 23 -1.987 9.675 14.126 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.298 8.899 12.024 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.565 8.851 11.768 1.00 0.00 H new ATOM 295 N PHE A 24 -0.995 6.357 11.550 1.00 0.00 N ATOM 296 CA PHE A 24 -0.973 4.899 11.567 1.00 0.00 C ATOM 297 C PHE A 24 0.415 4.381 11.932 1.00 0.00 C ATOM 298 O PHE A 24 0.603 3.187 12.164 1.00 0.00 O ATOM 299 CB PHE A 24 -1.394 4.346 10.204 1.00 0.00 C ATOM 300 CG PHE A 24 -2.850 4.551 9.898 1.00 0.00 C ATOM 301 CD1 PHE A 24 -3.795 3.623 10.305 1.00 0.00 C ATOM 302 CD2 PHE A 24 -3.274 5.672 9.202 1.00 0.00 C ATOM 303 CE1 PHE A 24 -5.136 3.809 10.025 1.00 0.00 C ATOM 304 CE2 PHE A 24 -4.613 5.863 8.919 1.00 0.00 C ATOM 305 CZ PHE A 24 -5.545 4.930 9.331 1.00 0.00 C ATOM 0 H PHE A 24 -0.698 6.773 10.668 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.680 4.558 12.324 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.797 4.823 9.427 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.170 3.280 10.168 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.480 2.744 10.847 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.550 6.404 8.877 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.862 3.078 10.349 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.931 6.741 8.376 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.592 5.077 9.110 1.00 0.00 H new ATOM 315 N GLY A 25 1.386 5.288 11.979 1.00 0.00 N ATOM 316 CA GLY A 25 2.744 4.904 12.315 1.00 0.00 C ATOM 317 C GLY A 25 3.368 4.001 11.269 1.00 0.00 C ATOM 318 O GLY A 25 4.243 3.193 11.579 1.00 0.00 O ATOM 0 H GLY A 25 1.256 6.282 11.790 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.354 5.800 12.427 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.746 4.394 13.278 1.00 0.00 H new ATOM 322 N LEU A 26 2.915 4.137 10.028 1.00 0.00 N ATOM 323 CA LEU A 26 3.433 3.325 8.932 1.00 0.00 C ATOM 324 C LEU A 26 4.333 4.152 8.020 1.00 0.00 C ATOM 325 O LEU A 26 3.954 5.233 7.568 1.00 0.00 O ATOM 326 CB LEU A 26 2.279 2.729 8.123 1.00 0.00 C ATOM 327 CG LEU A 26 2.640 1.572 7.192 1.00 0.00 C ATOM 328 CD1 LEU A 26 3.314 0.451 7.969 1.00 0.00 C ATOM 329 CD2 LEU A 26 1.400 1.056 6.477 1.00 0.00 C ATOM 0 H LEU A 26 2.191 4.801 9.755 1.00 0.00 H new ATOM 0 HA LEU A 26 4.025 2.516 9.360 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.514 2.384 8.819 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.832 3.524 7.526 1.00 0.00 H new ATOM 0 HG LEU A 26 3.341 1.940 6.443 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.564 -0.364 7.289 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.225 0.827 8.434 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.637 0.085 8.741 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.676 0.232 5.818 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.675 0.706 7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.959 1.860 5.888 1.00 0.00 H new ATOM 341 N THR A 27 5.529 3.637 7.752 1.00 0.00 N ATOM 342 CA THR A 27 6.484 4.326 6.893 1.00 0.00 C ATOM 343 C THR A 27 6.930 3.434 5.740 1.00 0.00 C ATOM 344 O THR A 27 6.965 2.210 5.866 1.00 0.00 O ATOM 345 CB THR A 27 7.724 4.782 7.685 1.00 0.00 C ATOM 346 OG1 THR A 27 7.321 5.497 8.858 1.00 0.00 O ATOM 347 CG2 THR A 27 8.618 5.666 6.828 1.00 0.00 C ATOM 0 H THR A 27 5.859 2.744 8.118 1.00 0.00 H new ATOM 0 HA THR A 27 5.975 5.203 6.493 1.00 0.00 H new ATOM 0 HB THR A 27 8.288 3.896 7.977 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.115 5.782 9.357 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.487 5.976 7.408 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.947 5.109 5.951 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.061 6.547 6.510 1.00 0.00 H new ATOM 355 N LEU A 28 7.272 4.055 4.617 1.00 0.00 N ATOM 356 CA LEU A 28 7.718 3.317 3.440 1.00 0.00 C ATOM 357 C LEU A 28 9.138 3.717 3.052 1.00 0.00 C ATOM 358 O LEU A 28 9.516 4.883 3.156 1.00 0.00 O ATOM 359 CB LEU A 28 6.767 3.565 2.267 1.00 0.00 C ATOM 360 CG LEU A 28 5.463 2.768 2.280 1.00 0.00 C ATOM 361 CD1 LEU A 28 4.375 3.511 1.520 1.00 0.00 C ATOM 362 CD2 LEU A 28 5.679 1.383 1.687 1.00 0.00 C ATOM 0 H LEU A 28 7.249 5.068 4.496 1.00 0.00 H new ATOM 0 HA LEU A 28 7.714 2.255 3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.520 4.626 2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.297 3.340 1.342 1.00 0.00 H new ATOM 0 HG LEU A 28 5.140 2.653 3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.454 2.928 1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.201 4.480 1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.689 3.658 0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.740 0.829 1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.026 1.478 0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.426 0.849 2.274 1.00 0.00 H new ATOM 374 N GLY A 29 9.920 2.741 2.601 1.00 0.00 N ATOM 375 CA GLY A 29 11.289 3.012 2.202 1.00 0.00 C ATOM 376 C GLY A 29 11.536 2.710 0.737 1.00 0.00 C ATOM 377 O GLY A 29 11.529 1.551 0.325 1.00 0.00 O ATOM 0 H GLY A 29 9.630 1.768 2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.521 4.059 2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.967 2.415 2.812 1.00 0.00 H new ATOM 381 N GLY A 30 11.754 3.757 -0.053 1.00 0.00 N ATOM 382 CA GLY A 30 12.000 3.577 -1.472 1.00 0.00 C ATOM 383 C GLY A 30 10.908 4.184 -2.331 1.00 0.00 C ATOM 384 O GLY A 30 10.529 5.339 -2.140 1.00 0.00 O ATOM 0 H GLY A 30 11.765 4.726 0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.957 4.030 -1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.081 2.512 -1.691 1.00 0.00 H new ATOM 388 N GLY A 31 10.402 3.404 -3.281 1.00 0.00 N ATOM 389 CA GLY A 31 9.354 3.890 -4.159 1.00 0.00 C ATOM 390 C GLY A 31 9.904 4.541 -5.413 1.00 0.00 C ATOM 391 O GLY A 31 11.096 4.836 -5.496 1.00 0.00 O ATOM 0 H GLY A 31 10.699 2.444 -3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.705 3.060 -4.439 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.737 4.610 -3.620 1.00 0.00 H new ATOM 395 N ARG A 32 9.033 4.766 -6.392 1.00 0.00 N ATOM 396 CA ARG A 32 9.439 5.384 -7.648 1.00 0.00 C ATOM 397 C ARG A 32 9.884 6.826 -7.426 1.00 0.00 C ATOM 398 O ARG A 32 9.064 7.708 -7.173 1.00 0.00 O ATOM 399 CB ARG A 32 8.288 5.344 -8.656 1.00 0.00 C ATOM 400 CG ARG A 32 8.603 6.043 -9.968 1.00 0.00 C ATOM 401 CD ARG A 32 7.480 5.864 -10.978 1.00 0.00 C ATOM 402 NE ARG A 32 7.219 4.455 -11.262 1.00 0.00 N ATOM 403 CZ ARG A 32 6.423 3.692 -10.522 1.00 0.00 C ATOM 404 NH1 ARG A 32 5.813 4.198 -9.460 1.00 0.00 N ATOM 405 NH2 ARG A 32 6.235 2.418 -10.845 1.00 0.00 N ATOM 0 H ARG A 32 8.042 4.529 -6.339 1.00 0.00 H new ATOM 0 HA ARG A 32 10.282 4.819 -8.046 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.031 4.305 -8.860 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.409 5.808 -8.209 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.764 7.106 -9.786 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.531 5.646 -10.380 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.572 6.331 -10.597 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.739 6.378 -11.903 1.00 0.00 H new ATOM 0 HE ARG A 32 7.673 4.034 -12.073 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.954 5.176 -9.209 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.202 3.609 -8.894 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.702 2.025 -11.662 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.623 1.833 -10.276 1.00 0.00 H new ATOM 419 N ASP A 33 11.189 7.058 -7.522 1.00 0.00 N ATOM 420 CA ASP A 33 11.744 8.393 -7.332 1.00 0.00 C ATOM 421 C ASP A 33 12.389 8.901 -8.617 1.00 0.00 C ATOM 422 O ASP A 33 12.802 8.115 -9.470 1.00 0.00 O ATOM 423 CB ASP A 33 12.773 8.384 -6.200 1.00 0.00 C ATOM 424 CG ASP A 33 12.867 9.722 -5.493 1.00 0.00 C ATOM 425 OD1 ASP A 33 13.516 10.637 -6.042 1.00 0.00 O ATOM 426 OD2 ASP A 33 12.294 9.854 -4.391 1.00 0.00 O ATOM 0 H ASP A 33 11.882 6.339 -7.730 1.00 0.00 H new ATOM 0 HA ASP A 33 10.928 9.065 -7.066 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.507 7.612 -5.477 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.751 8.120 -6.603 1.00 0.00 H new ATOM 431 N VAL A 34 12.470 10.221 -8.751 1.00 0.00 N ATOM 432 CA VAL A 34 13.065 10.835 -9.932 1.00 0.00 C ATOM 433 C VAL A 34 14.537 10.463 -10.063 1.00 0.00 C ATOM 434 O VAL A 34 15.100 10.491 -11.157 1.00 0.00 O ATOM 435 CB VAL A 34 12.936 12.369 -9.892 1.00 0.00 C ATOM 436 CG1 VAL A 34 13.720 12.941 -8.721 1.00 0.00 C ATOM 437 CG2 VAL A 34 13.405 12.977 -11.205 1.00 0.00 C ATOM 0 H VAL A 34 12.131 10.886 -8.056 1.00 0.00 H new ATOM 0 HA VAL A 34 12.519 10.454 -10.795 1.00 0.00 H new ATOM 0 HB VAL A 34 11.885 12.624 -9.754 1.00 0.00 H new ATOM 0 HG11 VAL A 34 13.617 14.026 -8.709 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.333 12.530 -7.789 1.00 0.00 H new ATOM 0 HG13 VAL A 34 14.773 12.678 -8.825 1.00 0.00 H new ATOM 0 HG21 VAL A 34 13.307 14.062 -11.159 1.00 0.00 H new ATOM 0 HG22 VAL A 34 14.449 12.714 -11.375 1.00 0.00 H new ATOM 0 HG23 VAL A 34 12.796 12.592 -12.023 1.00 0.00 H new ATOM 447 N ALA A 35 15.156 10.113 -8.940 1.00 0.00 N ATOM 448 CA ALA A 35 16.562 9.732 -8.930 1.00 0.00 C ATOM 449 C ALA A 35 16.724 8.223 -9.084 1.00 0.00 C ATOM 450 O ALA A 35 17.714 7.748 -9.638 1.00 0.00 O ATOM 451 CB ALA A 35 17.229 10.208 -7.647 1.00 0.00 C ATOM 0 H ALA A 35 14.705 10.086 -8.025 1.00 0.00 H new ATOM 0 HA ALA A 35 17.048 10.212 -9.779 1.00 0.00 H new ATOM 0 HB1 ALA A 35 18.279 9.916 -7.653 1.00 0.00 H new ATOM 0 HB2 ALA A 35 17.154 11.293 -7.579 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.732 9.756 -6.789 1.00 0.00 H new ATOM 457 N GLY A 36 15.744 7.474 -8.588 1.00 0.00 N ATOM 458 CA GLY A 36 15.797 6.027 -8.679 1.00 0.00 C ATOM 459 C GLY A 36 14.424 5.389 -8.600 1.00 0.00 C ATOM 460 O GLY A 36 13.540 5.888 -7.903 1.00 0.00 O ATOM 0 H GLY A 36 14.914 7.844 -8.125 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.273 5.743 -9.618 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.421 5.638 -7.875 1.00 0.00 H new ATOM 464 N ASP A 37 14.244 4.286 -9.318 1.00 0.00 N ATOM 465 CA ASP A 37 12.968 3.580 -9.326 1.00 0.00 C ATOM 466 C ASP A 37 13.036 2.324 -8.463 1.00 0.00 C ATOM 467 O ASP A 37 13.750 1.374 -8.784 1.00 0.00 O ATOM 468 CB ASP A 37 12.575 3.209 -10.758 1.00 0.00 C ATOM 469 CG ASP A 37 12.748 4.365 -11.723 1.00 0.00 C ATOM 470 OD1 ASP A 37 12.225 5.462 -11.435 1.00 0.00 O ATOM 471 OD2 ASP A 37 13.407 4.173 -12.766 1.00 0.00 O ATOM 0 H ASP A 37 14.965 3.862 -9.902 1.00 0.00 H new ATOM 0 HA ASP A 37 12.211 4.244 -8.910 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.181 2.367 -11.092 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.536 2.879 -10.773 1.00 0.00 H new ATOM 476 N THR A 38 12.288 2.327 -7.363 1.00 0.00 N ATOM 477 CA THR A 38 12.265 1.190 -6.452 1.00 0.00 C ATOM 478 C THR A 38 10.838 0.843 -6.042 1.00 0.00 C ATOM 479 O THR A 38 9.984 1.715 -5.882 1.00 0.00 O ATOM 480 CB THR A 38 13.098 1.468 -5.186 1.00 0.00 C ATOM 481 OG1 THR A 38 12.708 2.718 -4.608 1.00 0.00 O ATOM 482 CG2 THR A 38 14.584 1.495 -5.512 1.00 0.00 C ATOM 0 H THR A 38 11.690 3.105 -7.082 1.00 0.00 H new ATOM 0 HA THR A 38 12.701 0.347 -6.987 1.00 0.00 H new ATOM 0 HB THR A 38 12.913 0.665 -4.472 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.127 3.200 -5.233 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.152 1.693 -4.603 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.884 0.532 -5.925 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.782 2.280 -6.242 1.00 0.00 H new ATOM 490 N PRO A 39 10.573 -0.460 -5.866 1.00 0.00 N ATOM 491 CA PRO A 39 9.249 -0.951 -5.471 1.00 0.00 C ATOM 492 C PRO A 39 8.901 -0.586 -4.032 1.00 0.00 C ATOM 493 O PRO A 39 9.586 -0.995 -3.093 1.00 0.00 O ATOM 494 CB PRO A 39 9.375 -2.469 -5.621 1.00 0.00 C ATOM 495 CG PRO A 39 10.831 -2.746 -5.464 1.00 0.00 C ATOM 496 CD PRO A 39 11.543 -1.553 -6.039 1.00 0.00 C ATOM 0 HA PRO A 39 8.455 -0.513 -6.076 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.789 -2.991 -4.865 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.011 -2.802 -6.593 1.00 0.00 H new ATOM 0 HG2 PRO A 39 11.091 -2.887 -4.415 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.113 -3.659 -5.988 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.476 -1.350 -5.513 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.796 -1.703 -7.089 1.00 0.00 H new ATOM 504 N LEU A 40 7.833 0.186 -3.864 1.00 0.00 N ATOM 505 CA LEU A 40 7.394 0.607 -2.538 1.00 0.00 C ATOM 506 C LEU A 40 7.256 -0.592 -1.605 1.00 0.00 C ATOM 507 O LEU A 40 6.615 -1.586 -1.945 1.00 0.00 O ATOM 508 CB LEU A 40 6.060 1.350 -2.633 1.00 0.00 C ATOM 509 CG LEU A 40 6.148 2.861 -2.849 1.00 0.00 C ATOM 510 CD1 LEU A 40 4.835 3.399 -3.398 1.00 0.00 C ATOM 511 CD2 LEU A 40 6.513 3.565 -1.550 1.00 0.00 C ATOM 0 H LEU A 40 7.255 0.533 -4.629 1.00 0.00 H new ATOM 0 HA LEU A 40 8.148 1.279 -2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.484 0.919 -3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.498 1.166 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 40 6.932 3.059 -3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.916 4.476 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.615 2.918 -4.351 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.032 3.189 -2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.571 4.640 -1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.751 3.359 -0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.478 3.201 -1.198 1.00 0.00 H new ATOM 523 N ALA A 41 7.859 -0.489 -0.425 1.00 0.00 N ATOM 524 CA ALA A 41 7.800 -1.563 0.559 1.00 0.00 C ATOM 525 C ALA A 41 7.894 -1.012 1.978 1.00 0.00 C ATOM 526 O ALA A 41 8.595 -0.031 2.229 1.00 0.00 O ATOM 527 CB ALA A 41 8.911 -2.571 0.308 1.00 0.00 C ATOM 0 H ALA A 41 8.394 0.327 -0.127 1.00 0.00 H new ATOM 0 HA ALA A 41 6.838 -2.066 0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.854 -3.367 1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.798 -2.996 -0.689 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.878 -2.073 0.383 1.00 0.00 H new ATOM 533 N VAL A 42 7.184 -1.649 2.904 1.00 0.00 N ATOM 534 CA VAL A 42 7.187 -1.223 4.298 1.00 0.00 C ATOM 535 C VAL A 42 8.610 -1.118 4.837 1.00 0.00 C ATOM 536 O VAL A 42 9.411 -2.040 4.685 1.00 0.00 O ATOM 537 CB VAL A 42 6.385 -2.195 5.184 1.00 0.00 C ATOM 538 CG1 VAL A 42 6.534 -1.826 6.652 1.00 0.00 C ATOM 539 CG2 VAL A 42 4.920 -2.204 4.773 1.00 0.00 C ATOM 0 H VAL A 42 6.599 -2.463 2.713 1.00 0.00 H new ATOM 0 HA VAL A 42 6.715 -0.241 4.330 1.00 0.00 H new ATOM 0 HB VAL A 42 6.784 -3.200 5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.961 -2.524 7.263 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.586 -1.876 6.935 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.163 -0.814 6.812 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.368 -2.896 5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.505 -1.202 4.882 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.836 -2.521 3.733 1.00 0.00 H new ATOM 549 N ARG A 43 8.916 0.012 5.466 1.00 0.00 N ATOM 550 CA ARG A 43 10.242 0.238 6.027 1.00 0.00 C ATOM 551 C ARG A 43 10.240 0.011 7.536 1.00 0.00 C ATOM 552 O ARG A 43 10.818 -0.956 8.030 1.00 0.00 O ATOM 553 CB ARG A 43 10.716 1.659 5.715 1.00 0.00 C ATOM 554 CG ARG A 43 12.170 1.910 6.080 1.00 0.00 C ATOM 555 CD ARG A 43 12.309 2.389 7.516 1.00 0.00 C ATOM 556 NE ARG A 43 13.690 2.320 7.985 1.00 0.00 N ATOM 557 CZ ARG A 43 14.167 3.060 8.980 1.00 0.00 C ATOM 558 NH1 ARG A 43 13.377 3.920 9.608 1.00 0.00 N ATOM 559 NH2 ARG A 43 15.436 2.939 9.349 1.00 0.00 N ATOM 0 H ARG A 43 8.264 0.785 5.600 1.00 0.00 H new ATOM 0 HA ARG A 43 10.928 -0.475 5.570 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.578 1.853 4.651 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.087 2.369 6.253 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.744 0.993 5.944 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.593 2.654 5.405 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.951 3.416 7.592 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.676 1.782 8.163 1.00 0.00 H new ATOM 0 HE ARG A 43 14.324 1.668 7.523 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.401 4.014 9.327 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.745 4.487 10.372 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.046 2.278 8.869 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.801 3.508 10.113 1.00 0.00 H new ATOM 573 N GLY A 44 9.587 0.912 8.264 1.00 0.00 N ATOM 574 CA GLY A 44 9.522 0.793 9.709 1.00 0.00 C ATOM 575 C GLY A 44 8.101 0.653 10.217 1.00 0.00 C ATOM 576 O GLY A 44 7.153 1.080 9.556 1.00 0.00 O ATOM 0 H GLY A 44 9.102 1.722 7.879 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.104 -0.072 10.026 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.982 1.670 10.164 1.00 0.00 H new ATOM 580 N LEU A 45 7.950 0.052 11.392 1.00 0.00 N ATOM 581 CA LEU A 45 6.633 -0.144 11.988 1.00 0.00 C ATOM 582 C LEU A 45 6.573 0.458 13.388 1.00 0.00 C ATOM 583 O LEU A 45 7.088 -0.119 14.346 1.00 0.00 O ATOM 584 CB LEU A 45 6.296 -1.635 12.047 1.00 0.00 C ATOM 585 CG LEU A 45 5.631 -2.223 10.802 1.00 0.00 C ATOM 586 CD1 LEU A 45 5.441 -3.724 10.956 1.00 0.00 C ATOM 587 CD2 LEU A 45 4.297 -1.539 10.537 1.00 0.00 C ATOM 0 H LEU A 45 8.723 -0.308 11.951 1.00 0.00 H new ATOM 0 HA LEU A 45 5.899 0.364 11.363 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.216 -2.188 12.238 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.639 -1.805 12.900 1.00 0.00 H new ATOM 0 HG LEU A 45 6.284 -2.046 9.947 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.966 -4.124 10.060 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.411 -4.201 11.097 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.809 -3.924 11.821 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.838 -1.970 9.647 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.637 -1.684 11.393 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.460 -0.473 10.381 1.00 0.00 H new ATOM 599 N LEU A 46 5.941 1.621 13.499 1.00 0.00 N ATOM 600 CA LEU A 46 5.811 2.302 14.782 1.00 0.00 C ATOM 601 C LEU A 46 5.168 1.388 15.821 1.00 0.00 C ATOM 602 O LEU A 46 3.979 1.078 15.741 1.00 0.00 O ATOM 603 CB LEU A 46 4.979 3.576 14.624 1.00 0.00 C ATOM 604 CG LEU A 46 5.301 4.712 15.596 1.00 0.00 C ATOM 605 CD1 LEU A 46 4.814 6.042 15.042 1.00 0.00 C ATOM 606 CD2 LEU A 46 4.681 4.441 16.959 1.00 0.00 C ATOM 0 H LEU A 46 5.510 2.112 12.716 1.00 0.00 H new ATOM 0 HA LEU A 46 6.810 2.568 15.127 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.108 3.947 13.607 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.927 3.315 14.737 1.00 0.00 H new ATOM 0 HG LEU A 46 6.383 4.765 15.716 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.052 6.839 15.747 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.306 6.241 14.090 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.735 6.000 14.892 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.921 5.260 17.637 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.599 4.360 16.857 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.079 3.509 17.361 1.00 0.00 H new ATOM 618 N LYS A 47 5.962 0.960 16.797 1.00 0.00 N ATOM 619 CA LYS A 47 5.472 0.084 17.854 1.00 0.00 C ATOM 620 C LYS A 47 4.215 0.660 18.499 1.00 0.00 C ATOM 621 O LYS A 47 3.929 1.850 18.368 1.00 0.00 O ATOM 622 CB LYS A 47 6.554 -0.123 18.916 1.00 0.00 C ATOM 623 CG LYS A 47 6.109 -0.998 20.076 1.00 0.00 C ATOM 624 CD LYS A 47 5.759 -2.402 19.612 1.00 0.00 C ATOM 625 CE LYS A 47 7.004 -3.193 19.242 1.00 0.00 C ATOM 626 NZ LYS A 47 7.595 -3.882 20.422 1.00 0.00 N ATOM 0 H LYS A 47 6.949 1.206 16.878 1.00 0.00 H new ATOM 0 HA LYS A 47 5.222 -0.878 17.407 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.430 -0.573 18.448 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.863 0.848 19.302 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.903 -1.047 20.821 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.243 -0.548 20.562 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.217 -2.923 20.401 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.093 -2.346 18.751 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.752 -3.930 18.480 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.744 -2.522 18.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.441 -4.410 20.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.859 -3.177 21.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.898 -4.541 20.824 1.00 0.00 H new ATOM 640 N ASP A 48 3.471 -0.190 19.196 1.00 0.00 N ATOM 641 CA ASP A 48 2.246 0.235 19.864 1.00 0.00 C ATOM 642 C ASP A 48 1.291 0.898 18.876 1.00 0.00 C ATOM 643 O ASP A 48 0.451 1.711 19.260 1.00 0.00 O ATOM 644 CB ASP A 48 2.571 1.201 21.005 1.00 0.00 C ATOM 645 CG ASP A 48 1.482 1.241 22.058 1.00 0.00 C ATOM 646 OD1 ASP A 48 0.985 0.160 22.439 1.00 0.00 O ATOM 647 OD2 ASP A 48 1.126 2.352 22.502 1.00 0.00 O ATOM 0 H ASP A 48 3.694 -1.178 19.314 1.00 0.00 H new ATOM 0 HA ASP A 48 1.759 -0.649 20.275 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.511 0.906 21.470 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.717 2.202 20.599 1.00 0.00 H new ATOM 652 N GLY A 49 1.426 0.545 17.602 1.00 0.00 N ATOM 653 CA GLY A 49 0.570 1.115 16.579 1.00 0.00 C ATOM 654 C GLY A 49 -0.341 0.084 15.943 1.00 0.00 C ATOM 655 O GLY A 49 -0.231 -1.116 16.200 1.00 0.00 O ATOM 0 H GLY A 49 2.114 -0.126 17.260 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.035 1.909 17.017 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.188 1.574 15.807 1.00 0.00 H new ATOM 659 N PRO A 50 -1.268 0.550 15.093 1.00 0.00 N ATOM 660 CA PRO A 50 -2.221 -0.325 14.403 1.00 0.00 C ATOM 661 C PRO A 50 -1.548 -1.195 13.347 1.00 0.00 C ATOM 662 O PRO A 50 -1.865 -2.376 13.209 1.00 0.00 O ATOM 663 CB PRO A 50 -3.193 0.658 13.746 1.00 0.00 C ATOM 664 CG PRO A 50 -2.407 1.912 13.576 1.00 0.00 C ATOM 665 CD PRO A 50 -1.457 1.967 14.740 1.00 0.00 C ATOM 0 HA PRO A 50 -2.700 -1.026 15.086 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.549 0.281 12.787 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.071 0.823 14.370 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.865 1.908 12.630 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.061 2.784 13.565 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.515 2.442 14.468 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.873 2.536 15.571 1.00 0.00 H new ATOM 673 N ALA A 51 -0.619 -0.603 12.603 1.00 0.00 N ATOM 674 CA ALA A 51 0.100 -1.325 11.561 1.00 0.00 C ATOM 675 C ALA A 51 0.984 -2.414 12.158 1.00 0.00 C ATOM 676 O ALA A 51 1.111 -3.501 11.594 1.00 0.00 O ATOM 677 CB ALA A 51 0.934 -0.362 10.730 1.00 0.00 C ATOM 0 H ALA A 51 -0.347 0.375 12.703 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.634 -1.804 10.913 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.465 -0.916 9.956 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.281 0.377 10.265 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.654 0.144 11.373 1.00 0.00 H new ATOM 683 N GLN A 52 1.594 -2.115 13.300 1.00 0.00 N ATOM 684 CA GLN A 52 2.468 -3.069 13.972 1.00 0.00 C ATOM 685 C GLN A 52 1.655 -4.099 14.749 1.00 0.00 C ATOM 686 O GLN A 52 2.060 -5.255 14.879 1.00 0.00 O ATOM 687 CB GLN A 52 3.425 -2.339 14.917 1.00 0.00 C ATOM 688 CG GLN A 52 4.078 -3.250 15.944 1.00 0.00 C ATOM 689 CD GLN A 52 3.160 -3.571 17.106 1.00 0.00 C ATOM 690 OE1 GLN A 52 2.732 -2.679 17.840 1.00 0.00 O ATOM 691 NE2 GLN A 52 2.852 -4.851 17.282 1.00 0.00 N ATOM 0 H GLN A 52 1.499 -1.220 13.779 1.00 0.00 H new ATOM 0 HA GLN A 52 3.048 -3.590 13.210 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.203 -1.852 14.328 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.879 -1.552 15.437 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.383 -4.178 15.460 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.984 -2.775 16.322 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.229 -5.558 16.650 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.239 -5.127 18.049 1.00 0.00 H new ATOM 700 N ARG A 53 0.507 -3.672 15.265 1.00 0.00 N ATOM 701 CA ARG A 53 -0.362 -4.557 16.031 1.00 0.00 C ATOM 702 C ARG A 53 -1.026 -5.588 15.122 1.00 0.00 C ATOM 703 O ARG A 53 -1.004 -6.786 15.406 1.00 0.00 O ATOM 704 CB ARG A 53 -1.432 -3.746 16.765 1.00 0.00 C ATOM 705 CG ARG A 53 -0.968 -3.200 18.106 1.00 0.00 C ATOM 706 CD ARG A 53 -1.996 -2.255 18.708 1.00 0.00 C ATOM 707 NE ARG A 53 -3.188 -2.963 19.166 1.00 0.00 N ATOM 708 CZ ARG A 53 -4.348 -2.364 19.416 1.00 0.00 C ATOM 709 NH1 ARG A 53 -4.470 -1.054 19.253 1.00 0.00 N ATOM 710 NH2 ARG A 53 -5.388 -3.076 19.829 1.00 0.00 N ATOM 0 H ARG A 53 0.157 -2.719 15.166 1.00 0.00 H new ATOM 0 HA ARG A 53 0.252 -5.083 16.762 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.744 -2.915 16.132 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.309 -4.374 16.922 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.785 -4.026 18.793 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.021 -2.676 17.979 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.549 -1.719 19.545 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.280 -1.509 17.966 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.127 -3.972 19.301 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.673 -0.503 18.935 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.361 -0.597 19.446 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.298 -4.084 19.955 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.278 -2.615 20.021 1.00 0.00 H new ATOM 724 N CYS A 54 -1.614 -5.114 14.030 1.00 0.00 N ATOM 725 CA CYS A 54 -2.285 -5.994 13.080 1.00 0.00 C ATOM 726 C CYS A 54 -1.333 -7.072 12.571 1.00 0.00 C ATOM 727 O CYS A 54 -1.730 -8.218 12.365 1.00 0.00 O ATOM 728 CB CYS A 54 -2.834 -5.185 11.903 1.00 0.00 C ATOM 729 SG CYS A 54 -1.559 -4.418 10.876 1.00 0.00 S ATOM 0 H CYS A 54 -1.640 -4.125 13.780 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.113 -6.480 13.596 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.443 -5.839 11.279 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.493 -4.406 12.287 1.00 0.00 H new ATOM 0 HG CYS A 54 -0.468 -4.280 11.570 1.00 0.00 H new ATOM 735 N GLY A 55 -0.074 -6.695 12.369 1.00 0.00 N ATOM 736 CA GLY A 55 0.914 -7.640 11.884 1.00 0.00 C ATOM 737 C GLY A 55 0.829 -7.852 10.386 1.00 0.00 C ATOM 738 O GLY A 55 1.851 -7.952 9.707 1.00 0.00 O ATOM 0 H GLY A 55 0.279 -5.752 12.533 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.911 -7.282 12.141 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.778 -8.595 12.391 1.00 0.00 H new ATOM 742 N ARG A 56 -0.394 -7.921 9.868 1.00 0.00 N ATOM 743 CA ARG A 56 -0.609 -8.125 8.441 1.00 0.00 C ATOM 744 C ARG A 56 0.476 -7.430 7.623 1.00 0.00 C ATOM 745 O ARG A 56 0.868 -7.909 6.557 1.00 0.00 O ATOM 746 CB ARG A 56 -1.986 -7.600 8.031 1.00 0.00 C ATOM 747 CG ARG A 56 -3.133 -8.501 8.459 1.00 0.00 C ATOM 748 CD ARG A 56 -4.458 -7.754 8.457 1.00 0.00 C ATOM 749 NE ARG A 56 -5.466 -8.427 9.272 1.00 0.00 N ATOM 750 CZ ARG A 56 -6.037 -9.577 8.932 1.00 0.00 C ATOM 751 NH1 ARG A 56 -5.702 -10.179 7.800 1.00 0.00 N ATOM 752 NH2 ARG A 56 -6.947 -10.127 9.726 1.00 0.00 N ATOM 0 H ARG A 56 -1.250 -7.839 10.416 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.561 -9.195 8.241 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.132 -6.610 8.464 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.013 -7.482 6.948 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.195 -9.357 7.787 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.936 -8.893 9.457 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.304 -6.742 8.832 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.821 -7.662 7.433 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.747 -7.990 10.150 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.004 -9.759 7.187 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.143 -11.062 7.542 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.208 -9.667 10.598 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.385 -11.010 9.464 1.00 0.00 H new ATOM 766 N LEU A 57 0.958 -6.300 8.128 1.00 0.00 N ATOM 767 CA LEU A 57 1.998 -5.538 7.444 1.00 0.00 C ATOM 768 C LEU A 57 3.371 -5.839 8.037 1.00 0.00 C ATOM 769 O LEU A 57 3.561 -5.774 9.251 1.00 0.00 O ATOM 770 CB LEU A 57 1.706 -4.040 7.539 1.00 0.00 C ATOM 771 CG LEU A 57 0.496 -3.541 6.748 1.00 0.00 C ATOM 772 CD1 LEU A 57 0.159 -2.109 7.134 1.00 0.00 C ATOM 773 CD2 LEU A 57 0.758 -3.644 5.252 1.00 0.00 C ATOM 0 H LEU A 57 0.646 -5.891 9.009 1.00 0.00 H new ATOM 0 HA LEU A 57 2.002 -5.835 6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.559 -3.785 8.588 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.587 -3.496 7.199 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.359 -4.172 6.992 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.704 -1.771 6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.072 -2.064 8.198 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.011 -1.464 6.920 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.113 -3.285 4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.625 -3.037 4.992 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.950 -4.684 4.987 1.00 0.00 H new ATOM 785 N GLU A 58 4.326 -6.164 7.171 1.00 0.00 N ATOM 786 CA GLU A 58 5.682 -6.473 7.609 1.00 0.00 C ATOM 787 C GLU A 58 6.710 -5.734 6.757 1.00 0.00 C ATOM 788 O GLU A 58 6.421 -5.320 5.635 1.00 0.00 O ATOM 789 CB GLU A 58 5.934 -7.980 7.540 1.00 0.00 C ATOM 790 CG GLU A 58 5.468 -8.732 8.775 1.00 0.00 C ATOM 791 CD GLU A 58 5.902 -10.186 8.771 1.00 0.00 C ATOM 792 OE1 GLU A 58 7.119 -10.442 8.661 1.00 0.00 O ATOM 793 OE2 GLU A 58 5.023 -11.066 8.878 1.00 0.00 O ATOM 0 H GLU A 58 4.186 -6.220 6.162 1.00 0.00 H new ATOM 0 HA GLU A 58 5.787 -6.142 8.642 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.426 -8.385 6.665 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.000 -8.155 7.399 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.862 -8.241 9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.381 -8.681 8.838 1.00 0.00 H new ATOM 800 N VAL A 59 7.913 -5.573 7.300 1.00 0.00 N ATOM 801 CA VAL A 59 8.985 -4.885 6.590 1.00 0.00 C ATOM 802 C VAL A 59 9.433 -5.678 5.368 1.00 0.00 C ATOM 803 O VAL A 59 9.867 -6.824 5.483 1.00 0.00 O ATOM 804 CB VAL A 59 10.200 -4.645 7.506 1.00 0.00 C ATOM 805 CG1 VAL A 59 11.354 -4.045 6.717 1.00 0.00 C ATOM 806 CG2 VAL A 59 9.818 -3.749 8.674 1.00 0.00 C ATOM 0 H VAL A 59 8.169 -5.909 8.228 1.00 0.00 H new ATOM 0 HA VAL A 59 8.585 -3.923 6.268 1.00 0.00 H new ATOM 0 HB VAL A 59 10.526 -5.605 7.906 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.203 -3.883 7.381 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.643 -4.728 5.919 1.00 0.00 H new ATOM 0 HG13 VAL A 59 11.044 -3.093 6.285 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.688 -3.590 9.311 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.465 -2.790 8.296 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.027 -4.224 9.254 1.00 0.00 H new ATOM 816 N GLY A 60 9.324 -5.061 4.196 1.00 0.00 N ATOM 817 CA GLY A 60 9.722 -5.724 2.968 1.00 0.00 C ATOM 818 C GLY A 60 8.540 -6.046 2.074 1.00 0.00 C ATOM 819 O GLY A 60 8.715 -6.417 0.913 1.00 0.00 O ATOM 0 H GLY A 60 8.967 -4.113 4.075 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.421 -5.088 2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.251 -6.645 3.211 1.00 0.00 H new ATOM 823 N ASP A 61 7.335 -5.906 2.616 1.00 0.00 N ATOM 824 CA ASP A 61 6.120 -6.186 1.860 1.00 0.00 C ATOM 825 C ASP A 61 6.097 -5.394 0.556 1.00 0.00 C ATOM 826 O ASP A 61 6.721 -4.338 0.447 1.00 0.00 O ATOM 827 CB ASP A 61 4.885 -5.850 2.696 1.00 0.00 C ATOM 828 CG ASP A 61 4.439 -4.412 2.519 1.00 0.00 C ATOM 829 OD1 ASP A 61 5.301 -3.553 2.237 1.00 0.00 O ATOM 830 OD2 ASP A 61 3.227 -4.145 2.661 1.00 0.00 O ATOM 0 H ASP A 61 7.174 -5.600 3.576 1.00 0.00 H new ATOM 0 HA ASP A 61 6.108 -7.249 1.619 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.069 -6.517 2.418 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.102 -6.033 3.748 1.00 0.00 H new ATOM 835 N LEU A 62 5.375 -5.912 -0.432 1.00 0.00 N ATOM 836 CA LEU A 62 5.271 -5.254 -1.730 1.00 0.00 C ATOM 837 C LEU A 62 3.906 -4.595 -1.898 1.00 0.00 C ATOM 838 O LEU A 62 2.874 -5.266 -1.880 1.00 0.00 O ATOM 839 CB LEU A 62 5.505 -6.264 -2.855 1.00 0.00 C ATOM 840 CG LEU A 62 6.781 -7.099 -2.752 1.00 0.00 C ATOM 841 CD1 LEU A 62 6.878 -8.071 -3.919 1.00 0.00 C ATOM 842 CD2 LEU A 62 8.006 -6.198 -2.703 1.00 0.00 C ATOM 0 H LEU A 62 4.853 -6.785 -0.359 1.00 0.00 H new ATOM 0 HA LEU A 62 6.036 -4.479 -1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.653 -6.942 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.523 -5.725 -3.802 1.00 0.00 H new ATOM 0 HG LEU A 62 6.742 -7.675 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.793 -8.657 -3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.017 -8.739 -3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.894 -7.514 -4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.905 -6.810 -2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.051 -5.595 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.941 -5.543 -1.834 1.00 0.00 H new ATOM 854 N VAL A 63 3.908 -3.276 -2.064 1.00 0.00 N ATOM 855 CA VAL A 63 2.670 -2.525 -2.240 1.00 0.00 C ATOM 856 C VAL A 63 2.310 -2.397 -3.716 1.00 0.00 C ATOM 857 O VAL A 63 3.095 -1.885 -4.515 1.00 0.00 O ATOM 858 CB VAL A 63 2.775 -1.118 -1.624 1.00 0.00 C ATOM 859 CG1 VAL A 63 1.392 -0.517 -1.424 1.00 0.00 C ATOM 860 CG2 VAL A 63 3.539 -1.168 -0.309 1.00 0.00 C ATOM 0 H VAL A 63 4.753 -2.705 -2.080 1.00 0.00 H new ATOM 0 HA VAL A 63 1.886 -3.081 -1.725 1.00 0.00 H new ATOM 0 HB VAL A 63 3.326 -0.479 -2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.487 0.477 -0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.884 -0.444 -2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.812 -1.153 -0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.604 -0.165 0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.018 -1.822 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.543 -1.553 -0.486 1.00 0.00 H new ATOM 870 N LEU A 64 1.118 -2.864 -4.071 1.00 0.00 N ATOM 871 CA LEU A 64 0.653 -2.800 -5.452 1.00 0.00 C ATOM 872 C LEU A 64 -0.297 -1.624 -5.653 1.00 0.00 C ATOM 873 O LEU A 64 -0.250 -0.942 -6.677 1.00 0.00 O ATOM 874 CB LEU A 64 -0.046 -4.106 -5.836 1.00 0.00 C ATOM 875 CG LEU A 64 0.817 -5.368 -5.790 1.00 0.00 C ATOM 876 CD1 LEU A 64 1.776 -5.402 -6.969 1.00 0.00 C ATOM 877 CD2 LEU A 64 1.582 -5.443 -4.476 1.00 0.00 C ATOM 0 H LEU A 64 0.457 -3.291 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 64 1.521 -2.656 -6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.898 -4.248 -5.171 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.444 -3.999 -6.845 1.00 0.00 H new ATOM 0 HG LEU A 64 0.161 -6.236 -5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.382 -6.307 -6.919 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.209 -5.396 -7.900 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.426 -4.528 -6.934 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.191 -6.347 -4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.227 -4.570 -4.380 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.877 -5.466 -3.645 1.00 0.00 H new ATOM 889 N HIS A 65 -1.158 -1.390 -4.668 1.00 0.00 N ATOM 890 CA HIS A 65 -2.118 -0.294 -4.735 1.00 0.00 C ATOM 891 C HIS A 65 -2.357 0.305 -3.352 1.00 0.00 C ATOM 892 O HIS A 65 -1.782 -0.148 -2.362 1.00 0.00 O ATOM 893 CB HIS A 65 -3.440 -0.781 -5.328 1.00 0.00 C ATOM 894 CG HIS A 65 -3.286 -1.475 -6.646 1.00 0.00 C ATOM 895 ND1 HIS A 65 -2.539 -0.960 -7.685 1.00 0.00 N ATOM 896 CD2 HIS A 65 -3.787 -2.651 -7.092 1.00 0.00 C ATOM 897 CE1 HIS A 65 -2.589 -1.789 -8.713 1.00 0.00 C ATOM 898 NE2 HIS A 65 -3.339 -2.823 -8.379 1.00 0.00 N ATOM 0 H HIS A 65 -1.211 -1.945 -3.814 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.703 0.480 -5.380 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.917 -1.461 -4.622 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.109 0.071 -5.451 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.421 -3.328 -6.539 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.099 -1.645 -9.665 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -3.551 -3.620 -8.979 1.00 0.00 H new ATOM 907 N ILE A 66 -3.207 1.325 -3.293 1.00 0.00 N ATOM 908 CA ILE A 66 -3.521 1.984 -2.032 1.00 0.00 C ATOM 909 C ILE A 66 -4.885 2.664 -2.092 1.00 0.00 C ATOM 910 O ILE A 66 -5.109 3.557 -2.908 1.00 0.00 O ATOM 911 CB ILE A 66 -2.454 3.032 -1.663 1.00 0.00 C ATOM 912 CG1 ILE A 66 -1.094 2.358 -1.466 1.00 0.00 C ATOM 913 CG2 ILE A 66 -2.864 3.787 -0.408 1.00 0.00 C ATOM 914 CD1 ILE A 66 0.019 3.329 -1.138 1.00 0.00 C ATOM 0 H ILE A 66 -3.690 1.712 -4.104 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.537 1.208 -1.266 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.370 3.747 -2.481 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.174 1.625 -0.664 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.833 1.812 -2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.100 4.524 -0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.813 4.293 -0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.973 3.086 0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.953 2.782 -1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.126 4.048 -1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.220 3.858 -0.215 1.00 0.00 H new ATOM 926 N ASN A 67 -5.792 2.236 -1.220 1.00 0.00 N ATOM 927 CA ASN A 67 -7.134 2.804 -1.173 1.00 0.00 C ATOM 928 C ASN A 67 -7.756 2.847 -2.565 1.00 0.00 C ATOM 929 O ASN A 67 -8.347 3.850 -2.963 1.00 0.00 O ATOM 930 CB ASN A 67 -7.093 4.213 -0.577 1.00 0.00 C ATOM 931 CG ASN A 67 -6.982 4.198 0.935 1.00 0.00 C ATOM 932 OD1 ASN A 67 -7.919 3.812 1.634 1.00 0.00 O ATOM 933 ND2 ASN A 67 -5.832 4.620 1.448 1.00 0.00 N ATOM 0 H ASN A 67 -5.622 1.498 -0.537 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.750 2.166 -0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.246 4.757 -0.995 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.994 4.754 -0.867 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.699 4.633 2.459 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.082 4.931 0.831 1.00 0.00 H new ATOM 940 N GLY A 68 -7.619 1.749 -3.303 1.00 0.00 N ATOM 941 CA GLY A 68 -8.173 1.681 -4.642 1.00 0.00 C ATOM 942 C GLY A 68 -7.467 2.610 -5.609 1.00 0.00 C ATOM 943 O GLY A 68 -8.020 2.972 -6.647 1.00 0.00 O ATOM 0 H GLY A 68 -7.134 0.906 -2.997 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.103 0.657 -5.009 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.232 1.935 -4.607 1.00 0.00 H new ATOM 947 N GLU A 69 -6.242 2.998 -5.268 1.00 0.00 N ATOM 948 CA GLU A 69 -5.462 3.894 -6.113 1.00 0.00 C ATOM 949 C GLU A 69 -4.253 3.171 -6.700 1.00 0.00 C ATOM 950 O GLU A 69 -3.451 2.587 -5.971 1.00 0.00 O ATOM 951 CB GLU A 69 -5.002 5.114 -5.313 1.00 0.00 C ATOM 952 CG GLU A 69 -4.446 6.234 -6.177 1.00 0.00 C ATOM 953 CD GLU A 69 -5.480 6.804 -7.129 1.00 0.00 C ATOM 954 OE1 GLU A 69 -6.353 7.567 -6.667 1.00 0.00 O ATOM 955 OE2 GLU A 69 -5.415 6.487 -8.335 1.00 0.00 O ATOM 0 H GLU A 69 -5.769 2.706 -4.413 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.099 4.226 -6.933 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.843 5.496 -4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.239 4.804 -4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.070 7.031 -5.535 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.598 5.859 -6.750 1.00 0.00 H new ATOM 962 N SER A 70 -4.129 3.215 -8.023 1.00 0.00 N ATOM 963 CA SER A 70 -3.021 2.561 -8.709 1.00 0.00 C ATOM 964 C SER A 70 -1.725 3.345 -8.518 1.00 0.00 C ATOM 965 O SER A 70 -1.590 4.471 -8.998 1.00 0.00 O ATOM 966 CB SER A 70 -3.329 2.420 -10.201 1.00 0.00 C ATOM 967 OG SER A 70 -2.999 3.605 -10.905 1.00 0.00 O ATOM 0 H SER A 70 -4.782 3.697 -8.641 1.00 0.00 H new ATOM 0 HA SER A 70 -2.893 1.569 -8.276 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.769 1.581 -10.613 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.387 2.195 -10.337 1.00 0.00 H new ATOM 0 HG SER A 70 -2.763 4.310 -10.266 1.00 0.00 H new ATOM 973 N THR A 71 -0.774 2.740 -7.813 1.00 0.00 N ATOM 974 CA THR A 71 0.510 3.380 -7.556 1.00 0.00 C ATOM 975 C THR A 71 1.483 3.140 -8.705 1.00 0.00 C ATOM 976 O THR A 71 2.666 3.461 -8.604 1.00 0.00 O ATOM 977 CB THR A 71 1.142 2.866 -6.248 1.00 0.00 C ATOM 978 OG1 THR A 71 2.459 3.406 -6.095 1.00 0.00 O ATOM 979 CG2 THR A 71 1.207 1.347 -6.239 1.00 0.00 C ATOM 0 H THR A 71 -0.869 1.808 -7.410 1.00 0.00 H new ATOM 0 HA THR A 71 0.318 4.449 -7.463 1.00 0.00 H new ATOM 0 HB THR A 71 0.518 3.192 -5.416 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.724 3.861 -6.922 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.657 1.008 -5.306 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.200 0.939 -6.326 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.811 1.004 -7.079 1.00 0.00 H new ATOM 987 N GLN A 72 0.976 2.575 -9.796 1.00 0.00 N ATOM 988 CA GLN A 72 1.801 2.293 -10.964 1.00 0.00 C ATOM 989 C GLN A 72 2.545 3.544 -11.419 1.00 0.00 C ATOM 990 O GLN A 72 3.728 3.488 -11.754 1.00 0.00 O ATOM 991 CB GLN A 72 0.939 1.754 -12.106 1.00 0.00 C ATOM 992 CG GLN A 72 -0.064 2.764 -12.641 1.00 0.00 C ATOM 993 CD GLN A 72 -0.994 2.169 -13.680 1.00 0.00 C ATOM 994 OE1 GLN A 72 -0.721 1.106 -14.237 1.00 0.00 O ATOM 995 NE2 GLN A 72 -2.100 2.854 -13.945 1.00 0.00 N ATOM 0 H GLN A 72 -0.002 2.304 -9.895 1.00 0.00 H new ATOM 0 HA GLN A 72 2.535 1.537 -10.685 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.589 1.433 -12.920 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.403 0.871 -11.760 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.654 3.157 -11.813 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.472 3.606 -13.079 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.285 3.731 -13.459 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.764 2.503 -14.635 1.00 0.00 H new ATOM 1004 N GLY A 73 1.843 4.673 -11.430 1.00 0.00 N ATOM 1005 CA GLY A 73 2.453 5.922 -11.847 1.00 0.00 C ATOM 1006 C GLY A 73 2.485 6.952 -10.735 1.00 0.00 C ATOM 1007 O GLY A 73 2.384 8.153 -10.988 1.00 0.00 O ATOM 0 H GLY A 73 0.863 4.745 -11.158 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.470 5.730 -12.189 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.902 6.326 -12.696 1.00 0.00 H new ATOM 1011 N LEU A 74 2.624 6.482 -9.500 1.00 0.00 N ATOM 1012 CA LEU A 74 2.668 7.370 -8.344 1.00 0.00 C ATOM 1013 C LEU A 74 3.990 7.228 -7.597 1.00 0.00 C ATOM 1014 O LEU A 74 4.463 6.117 -7.354 1.00 0.00 O ATOM 1015 CB LEU A 74 1.501 7.070 -7.401 1.00 0.00 C ATOM 1016 CG LEU A 74 0.103 7.350 -7.952 1.00 0.00 C ATOM 1017 CD1 LEU A 74 -0.943 7.198 -6.859 1.00 0.00 C ATOM 1018 CD2 LEU A 74 0.040 8.743 -8.563 1.00 0.00 C ATOM 0 H LEU A 74 2.708 5.491 -9.274 1.00 0.00 H new ATOM 0 HA LEU A 74 2.583 8.396 -8.702 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.553 6.020 -7.114 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.635 7.656 -6.492 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.111 6.621 -8.734 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.932 7.401 -7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.915 6.181 -6.468 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.733 7.902 -6.054 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.962 8.925 -8.950 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.275 9.486 -7.801 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.762 8.817 -9.376 1.00 0.00 H new ATOM 1030 N THR A 75 4.583 8.361 -7.232 1.00 0.00 N ATOM 1031 CA THR A 75 5.849 8.363 -6.512 1.00 0.00 C ATOM 1032 C THR A 75 5.633 8.147 -5.018 1.00 0.00 C ATOM 1033 O THR A 75 4.501 7.979 -4.563 1.00 0.00 O ATOM 1034 CB THR A 75 6.613 9.684 -6.722 1.00 0.00 C ATOM 1035 OG1 THR A 75 5.742 10.796 -6.489 1.00 0.00 O ATOM 1036 CG2 THR A 75 7.179 9.763 -8.132 1.00 0.00 C ATOM 0 H THR A 75 4.206 9.289 -7.424 1.00 0.00 H new ATOM 0 HA THR A 75 6.441 7.541 -6.914 1.00 0.00 H new ATOM 0 HB THR A 75 7.440 9.717 -6.013 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.236 11.632 -6.623 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.714 10.704 -8.257 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.864 8.931 -8.296 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.365 9.710 -8.854 1.00 0.00 H new ATOM 1044 N HIS A 76 6.725 8.154 -4.260 1.00 0.00 N ATOM 1045 CA HIS A 76 6.654 7.960 -2.816 1.00 0.00 C ATOM 1046 C HIS A 76 5.643 8.915 -2.189 1.00 0.00 C ATOM 1047 O HIS A 76 4.716 8.488 -1.501 1.00 0.00 O ATOM 1048 CB HIS A 76 8.030 8.168 -2.184 1.00 0.00 C ATOM 1049 CG HIS A 76 8.007 8.173 -0.686 1.00 0.00 C ATOM 1050 ND1 HIS A 76 8.410 9.253 0.069 1.00 0.00 N ATOM 1051 CD2 HIS A 76 7.623 7.221 0.196 1.00 0.00 C ATOM 1052 CE1 HIS A 76 8.278 8.965 1.352 1.00 0.00 C ATOM 1053 NE2 HIS A 76 7.802 7.738 1.456 1.00 0.00 N ATOM 0 H HIS A 76 7.669 8.292 -4.621 1.00 0.00 H new ATOM 0 HA HIS A 76 6.327 6.938 -2.627 1.00 0.00 H new ATOM 0 HB2 HIS A 76 8.701 7.380 -2.526 1.00 0.00 H new ATOM 0 HB3 HIS A 76 8.443 9.113 -2.536 1.00 0.00 H new ATOM 0 HD2 HIS A 76 7.246 6.238 -0.046 1.00 0.00 H new ATOM 0 HE1 HIS A 76 8.519 9.622 2.175 1.00 0.00 H new ATOM 0 HE2 HIS A 76 7.600 7.253 2.330 1.00 0.00 H new ATOM 1062 N ALA A 77 5.829 10.208 -2.430 1.00 0.00 N ATOM 1063 CA ALA A 77 4.933 11.223 -1.890 1.00 0.00 C ATOM 1064 C ALA A 77 3.484 10.933 -2.267 1.00 0.00 C ATOM 1065 O ALA A 77 2.621 10.811 -1.398 1.00 0.00 O ATOM 1066 CB ALA A 77 5.342 12.604 -2.381 1.00 0.00 C ATOM 0 H ALA A 77 6.593 10.578 -2.996 1.00 0.00 H new ATOM 0 HA ALA A 77 5.010 11.199 -0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.664 13.352 -1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.360 12.819 -2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.295 12.632 -3.470 1.00 0.00 H new ATOM 1072 N GLN A 78 3.226 10.824 -3.566 1.00 0.00 N ATOM 1073 CA GLN A 78 1.880 10.550 -4.056 1.00 0.00 C ATOM 1074 C GLN A 78 1.212 9.456 -3.229 1.00 0.00 C ATOM 1075 O GLN A 78 0.209 9.698 -2.558 1.00 0.00 O ATOM 1076 CB GLN A 78 1.926 10.137 -5.528 1.00 0.00 C ATOM 1077 CG GLN A 78 2.480 11.215 -6.446 1.00 0.00 C ATOM 1078 CD GLN A 78 1.643 12.478 -6.434 1.00 0.00 C ATOM 1079 OE1 GLN A 78 1.618 13.211 -5.445 1.00 0.00 O ATOM 1080 NE2 GLN A 78 0.951 12.741 -7.537 1.00 0.00 N ATOM 0 H GLN A 78 3.930 10.921 -4.298 1.00 0.00 H new ATOM 0 HA GLN A 78 1.292 11.463 -3.960 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.537 9.239 -5.626 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.920 9.875 -5.855 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.499 11.456 -6.143 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.533 10.828 -7.464 1.00 0.00 H new ATOM 0 HE21 GLN A 78 1.001 12.106 -8.334 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.370 13.578 -7.587 1.00 0.00 H new ATOM 1089 N ALA A 79 1.775 8.253 -3.283 1.00 0.00 N ATOM 1090 CA ALA A 79 1.234 7.123 -2.538 1.00 0.00 C ATOM 1091 C ALA A 79 0.965 7.502 -1.086 1.00 0.00 C ATOM 1092 O ALA A 79 -0.091 7.187 -0.537 1.00 0.00 O ATOM 1093 CB ALA A 79 2.188 5.940 -2.609 1.00 0.00 C ATOM 0 H ALA A 79 2.605 8.036 -3.835 1.00 0.00 H new ATOM 0 HA ALA A 79 0.285 6.839 -2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.772 5.103 -2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.327 5.647 -3.650 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.150 6.222 -2.180 1.00 0.00 H new ATOM 1099 N VAL A 80 1.927 8.179 -0.467 1.00 0.00 N ATOM 1100 CA VAL A 80 1.793 8.601 0.922 1.00 0.00 C ATOM 1101 C VAL A 80 0.691 9.644 1.076 1.00 0.00 C ATOM 1102 O VAL A 80 0.084 9.766 2.139 1.00 0.00 O ATOM 1103 CB VAL A 80 3.113 9.182 1.462 1.00 0.00 C ATOM 1104 CG1 VAL A 80 2.992 9.494 2.946 1.00 0.00 C ATOM 1105 CG2 VAL A 80 4.263 8.221 1.202 1.00 0.00 C ATOM 0 H VAL A 80 2.808 8.447 -0.906 1.00 0.00 H new ATOM 0 HA VAL A 80 1.532 7.713 1.498 1.00 0.00 H new ATOM 0 HB VAL A 80 3.322 10.114 0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.934 9.904 3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.196 10.222 3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.759 8.580 3.492 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.188 8.647 1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.064 7.272 1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.362 8.054 0.129 1.00 0.00 H new ATOM 1115 N GLU A 81 0.438 10.392 0.007 1.00 0.00 N ATOM 1116 CA GLU A 81 -0.592 11.425 0.024 1.00 0.00 C ATOM 1117 C GLU A 81 -1.985 10.804 -0.015 1.00 0.00 C ATOM 1118 O GLU A 81 -2.965 11.426 0.397 1.00 0.00 O ATOM 1119 CB GLU A 81 -0.412 12.375 -1.162 1.00 0.00 C ATOM 1120 CG GLU A 81 -1.580 13.326 -1.362 1.00 0.00 C ATOM 1121 CD GLU A 81 -2.642 12.759 -2.284 1.00 0.00 C ATOM 1122 OE1 GLU A 81 -2.282 12.285 -3.382 1.00 0.00 O ATOM 1123 OE2 GLU A 81 -3.832 12.790 -1.907 1.00 0.00 O ATOM 0 H GLU A 81 0.931 10.302 -0.881 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.490 11.989 0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.498 12.956 -1.016 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.273 11.788 -2.070 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.028 13.554 -0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.212 14.266 -1.773 1.00 0.00 H new ATOM 1130 N ARG A 82 -2.066 9.574 -0.512 1.00 0.00 N ATOM 1131 CA ARG A 82 -3.339 8.870 -0.607 1.00 0.00 C ATOM 1132 C ARG A 82 -3.763 8.329 0.755 1.00 0.00 C ATOM 1133 O ARG A 82 -4.954 8.252 1.060 1.00 0.00 O ATOM 1134 CB ARG A 82 -3.237 7.723 -1.614 1.00 0.00 C ATOM 1135 CG ARG A 82 -2.780 8.163 -2.995 1.00 0.00 C ATOM 1136 CD ARG A 82 -3.906 8.833 -3.767 1.00 0.00 C ATOM 1137 NE ARG A 82 -5.146 8.065 -3.702 1.00 0.00 N ATOM 1138 CZ ARG A 82 -6.340 8.572 -3.989 1.00 0.00 C ATOM 1139 NH1 ARG A 82 -6.454 9.840 -4.359 1.00 0.00 N ATOM 1140 NH2 ARG A 82 -7.423 7.810 -3.906 1.00 0.00 N ATOM 0 H ARG A 82 -1.265 9.044 -0.855 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.094 9.578 -0.949 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.542 6.976 -1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.210 7.239 -1.700 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.942 8.853 -2.899 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.419 7.299 -3.553 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.077 9.832 -3.365 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -3.609 8.955 -4.809 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.093 7.086 -3.421 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.624 10.429 -4.424 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.372 10.227 -4.579 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.339 6.834 -3.622 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.339 8.200 -4.127 1.00 0.00 H new ATOM 1154 N ILE A 83 -2.782 7.957 1.570 1.00 0.00 N ATOM 1155 CA ILE A 83 -3.054 7.424 2.899 1.00 0.00 C ATOM 1156 C ILE A 83 -3.531 8.521 3.844 1.00 0.00 C ATOM 1157 O ILE A 83 -4.529 8.359 4.546 1.00 0.00 O ATOM 1158 CB ILE A 83 -1.807 6.750 3.502 1.00 0.00 C ATOM 1159 CG1 ILE A 83 -1.155 5.823 2.474 1.00 0.00 C ATOM 1160 CG2 ILE A 83 -2.178 5.977 4.759 1.00 0.00 C ATOM 1161 CD1 ILE A 83 0.179 5.268 2.921 1.00 0.00 C ATOM 0 H ILE A 83 -1.792 8.015 1.333 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.841 6.678 2.784 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.089 7.524 3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.832 4.995 2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.018 6.368 1.540 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.286 5.506 5.173 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.603 6.660 5.494 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.911 5.210 4.511 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.582 4.620 2.143 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.872 6.089 3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.046 4.694 3.838 1.00 0.00 H new ATOM 1173 N ARG A 84 -2.812 9.639 3.855 1.00 0.00 N ATOM 1174 CA ARG A 84 -3.163 10.765 4.713 1.00 0.00 C ATOM 1175 C ARG A 84 -4.576 11.257 4.414 1.00 0.00 C ATOM 1176 O ARG A 84 -5.291 11.701 5.311 1.00 0.00 O ATOM 1177 CB ARG A 84 -2.163 11.907 4.526 1.00 0.00 C ATOM 1178 CG ARG A 84 -2.511 12.839 3.376 1.00 0.00 C ATOM 1179 CD ARG A 84 -1.556 14.021 3.309 1.00 0.00 C ATOM 1180 NE ARG A 84 -0.159 13.599 3.345 1.00 0.00 N ATOM 1181 CZ ARG A 84 0.865 14.441 3.267 1.00 0.00 C ATOM 1182 NH1 ARG A 84 0.649 15.744 3.150 1.00 0.00 N ATOM 1183 NH2 ARG A 84 2.109 13.980 3.307 1.00 0.00 N ATOM 0 H ARG A 84 -1.983 9.789 3.280 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.127 10.426 5.748 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.109 12.486 5.448 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.172 11.487 4.355 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.476 12.288 2.436 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.532 13.201 3.496 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.741 14.585 2.395 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.753 14.694 4.144 1.00 0.00 H new ATOM 0 HE ARG A 84 0.042 12.603 3.435 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.306 16.102 3.120 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.437 16.388 3.090 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.279 12.978 3.398 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.895 14.627 3.247 1.00 0.00 H new ATOM 1197 N ALA A 85 -4.970 11.175 3.148 1.00 0.00 N ATOM 1198 CA ALA A 85 -6.297 11.611 2.731 1.00 0.00 C ATOM 1199 C ALA A 85 -7.292 10.456 2.775 1.00 0.00 C ATOM 1200 O ALA A 85 -8.493 10.652 2.592 1.00 0.00 O ATOM 1201 CB ALA A 85 -6.241 12.209 1.333 1.00 0.00 C ATOM 0 H ALA A 85 -4.389 10.811 2.393 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.637 12.377 3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.239 12.530 1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.568 13.066 1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.876 11.459 0.631 1.00 0.00 H new ATOM 1207 N GLY A 86 -6.785 9.252 3.019 1.00 0.00 N ATOM 1208 CA GLY A 86 -7.644 8.084 3.082 1.00 0.00 C ATOM 1209 C GLY A 86 -8.809 8.271 4.034 1.00 0.00 C ATOM 1210 O GLY A 86 -9.896 7.743 3.807 1.00 0.00 O ATOM 0 H GLY A 86 -5.795 9.064 3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.025 7.863 2.085 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.057 7.221 3.397 1.00 0.00 H new ATOM 1214 N GLY A 87 -8.581 9.025 5.105 1.00 0.00 N ATOM 1215 CA GLY A 87 -9.629 9.266 6.079 1.00 0.00 C ATOM 1216 C GLY A 87 -9.431 8.467 7.352 1.00 0.00 C ATOM 1217 O GLY A 87 -8.321 8.052 7.684 1.00 0.00 O ATOM 0 H GLY A 87 -7.689 9.473 5.315 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.659 10.328 6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.594 9.012 5.640 1.00 0.00 H new ATOM 1221 N PRO A 88 -10.528 8.242 8.090 1.00 0.00 N ATOM 1222 CA PRO A 88 -10.496 7.487 9.346 1.00 0.00 C ATOM 1223 C PRO A 88 -10.222 6.003 9.124 1.00 0.00 C ATOM 1224 O PRO A 88 -9.832 5.290 10.048 1.00 0.00 O ATOM 1225 CB PRO A 88 -11.901 7.691 9.919 1.00 0.00 C ATOM 1226 CG PRO A 88 -12.757 7.968 8.732 1.00 0.00 C ATOM 1227 CD PRO A 88 -11.885 8.707 7.755 1.00 0.00 C ATOM 0 HA PRO A 88 -9.698 7.828 10.006 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -12.242 6.806 10.455 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.924 8.520 10.626 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -13.132 7.042 8.297 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.626 8.565 9.008 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -12.148 8.471 6.724 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -11.979 9.787 7.869 1.00 0.00 H new ATOM 1235 N GLN A 89 -10.429 5.546 7.893 1.00 0.00 N ATOM 1236 CA GLN A 89 -10.204 4.147 7.551 1.00 0.00 C ATOM 1237 C GLN A 89 -9.034 4.004 6.583 1.00 0.00 C ATOM 1238 O GLN A 89 -9.004 4.643 5.530 1.00 0.00 O ATOM 1239 CB GLN A 89 -11.467 3.541 6.936 1.00 0.00 C ATOM 1240 CG GLN A 89 -12.594 3.339 7.936 1.00 0.00 C ATOM 1241 CD GLN A 89 -13.441 4.583 8.120 1.00 0.00 C ATOM 1242 OE1 GLN A 89 -13.886 5.194 7.148 1.00 0.00 O ATOM 1243 NE2 GLN A 89 -13.669 4.964 9.371 1.00 0.00 N ATOM 0 H GLN A 89 -10.752 6.124 7.117 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.961 3.610 8.468 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.817 4.189 6.133 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -11.217 2.581 6.485 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.229 2.518 7.602 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.173 3.045 8.898 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.280 4.427 10.146 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.233 5.793 9.557 1.00 0.00 H new ATOM 1252 N LEU A 90 -8.072 3.163 6.946 1.00 0.00 N ATOM 1253 CA LEU A 90 -6.898 2.937 6.109 1.00 0.00 C ATOM 1254 C LEU A 90 -7.072 1.686 5.254 1.00 0.00 C ATOM 1255 O LEU A 90 -7.542 0.653 5.734 1.00 0.00 O ATOM 1256 CB LEU A 90 -5.646 2.805 6.978 1.00 0.00 C ATOM 1257 CG LEU A 90 -4.450 2.107 6.330 1.00 0.00 C ATOM 1258 CD1 LEU A 90 -3.146 2.641 6.901 1.00 0.00 C ATOM 1259 CD2 LEU A 90 -4.542 0.600 6.526 1.00 0.00 C ATOM 0 H LEU A 90 -8.081 2.627 7.813 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.784 3.795 5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.335 3.803 7.286 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.912 2.260 7.884 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.467 2.317 5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.306 2.132 6.428 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.076 3.712 6.709 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.119 2.462 7.976 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.683 0.119 6.058 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.550 0.372 7.592 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.459 0.229 6.068 1.00 0.00 H new ATOM 1271 N HIS A 91 -6.689 1.785 3.985 1.00 0.00 N ATOM 1272 CA HIS A 91 -6.800 0.660 3.064 1.00 0.00 C ATOM 1273 C HIS A 91 -5.569 0.570 2.166 1.00 0.00 C ATOM 1274 O HIS A 91 -5.386 1.386 1.262 1.00 0.00 O ATOM 1275 CB HIS A 91 -8.060 0.796 2.209 1.00 0.00 C ATOM 1276 CG HIS A 91 -8.590 -0.514 1.711 1.00 0.00 C ATOM 1277 ND1 HIS A 91 -8.420 -0.950 0.414 1.00 0.00 N ATOM 1278 CD2 HIS A 91 -9.288 -1.485 2.344 1.00 0.00 C ATOM 1279 CE1 HIS A 91 -8.992 -2.132 0.270 1.00 0.00 C ATOM 1280 NE2 HIS A 91 -9.526 -2.479 1.427 1.00 0.00 N ATOM 0 H HIS A 91 -6.299 2.632 3.571 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.867 -0.255 3.653 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -8.834 1.293 2.794 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.843 1.439 1.356 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.600 -1.479 3.378 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.018 -2.715 -0.639 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -10.033 -3.345 1.610 1.00 0.00 H new ATOM 1289 N LEU A 92 -4.729 -0.427 2.421 1.00 0.00 N ATOM 1290 CA LEU A 92 -3.515 -0.623 1.636 1.00 0.00 C ATOM 1291 C LEU A 92 -3.467 -2.030 1.049 1.00 0.00 C ATOM 1292 O LEU A 92 -3.661 -3.017 1.759 1.00 0.00 O ATOM 1293 CB LEU A 92 -2.278 -0.378 2.503 1.00 0.00 C ATOM 1294 CG LEU A 92 -2.266 0.927 3.301 1.00 0.00 C ATOM 1295 CD1 LEU A 92 -1.052 0.981 4.215 1.00 0.00 C ATOM 1296 CD2 LEU A 92 -2.283 2.125 2.363 1.00 0.00 C ATOM 0 H LEU A 92 -4.866 -1.112 3.164 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.524 0.094 0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.178 -1.209 3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.398 -0.395 1.859 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.163 0.962 3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.060 1.916 4.775 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.082 0.142 4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.143 0.924 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.274 3.045 2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.404 2.096 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.183 2.094 1.749 1.00 0.00 H new ATOM 1308 N VAL A 93 -3.207 -2.115 -0.251 1.00 0.00 N ATOM 1309 CA VAL A 93 -3.130 -3.401 -0.934 1.00 0.00 C ATOM 1310 C VAL A 93 -1.703 -3.938 -0.937 1.00 0.00 C ATOM 1311 O VAL A 93 -0.811 -3.353 -1.553 1.00 0.00 O ATOM 1312 CB VAL A 93 -3.632 -3.297 -2.386 1.00 0.00 C ATOM 1313 CG1 VAL A 93 -3.928 -4.678 -2.950 1.00 0.00 C ATOM 1314 CG2 VAL A 93 -4.862 -2.406 -2.462 1.00 0.00 C ATOM 0 H VAL A 93 -3.046 -1.308 -0.853 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.772 -4.089 -0.385 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.846 -2.845 -2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.282 -4.584 -3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.020 -5.280 -2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.695 -5.161 -2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.203 -2.344 -3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.655 -2.826 -1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.611 -1.408 -2.102 1.00 0.00 H new ATOM 1324 N ILE A 94 -1.495 -5.054 -0.247 1.00 0.00 N ATOM 1325 CA ILE A 94 -0.176 -5.670 -0.172 1.00 0.00 C ATOM 1326 C ILE A 94 -0.223 -7.125 -0.624 1.00 0.00 C ATOM 1327 O ILE A 94 -1.220 -7.817 -0.420 1.00 0.00 O ATOM 1328 CB ILE A 94 0.395 -5.606 1.257 1.00 0.00 C ATOM 1329 CG1 ILE A 94 0.465 -4.154 1.737 1.00 0.00 C ATOM 1330 CG2 ILE A 94 1.772 -6.252 1.306 1.00 0.00 C ATOM 1331 CD1 ILE A 94 1.234 -3.246 0.804 1.00 0.00 C ATOM 0 H ILE A 94 -2.222 -5.550 0.268 1.00 0.00 H new ATOM 0 HA ILE A 94 0.475 -5.105 -0.840 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.268 -6.158 1.923 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.548 -3.769 1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.930 -4.128 2.722 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.163 -6.199 2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.695 -7.295 1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.446 -5.725 0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.243 -2.233 1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.258 -3.607 0.707 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.756 -3.242 -0.176 1.00 0.00 H new ATOM 1343 N ARG A 95 0.863 -7.584 -1.237 1.00 0.00 N ATOM 1344 CA ARG A 95 0.947 -8.958 -1.718 1.00 0.00 C ATOM 1345 C ARG A 95 2.241 -9.619 -1.253 1.00 0.00 C ATOM 1346 O ARG A 95 3.328 -9.267 -1.712 1.00 0.00 O ATOM 1347 CB ARG A 95 0.863 -8.993 -3.245 1.00 0.00 C ATOM 1348 CG ARG A 95 1.148 -10.362 -3.839 1.00 0.00 C ATOM 1349 CD ARG A 95 1.230 -10.305 -5.357 1.00 0.00 C ATOM 1350 NE ARG A 95 1.099 -11.628 -5.962 1.00 0.00 N ATOM 1351 CZ ARG A 95 2.058 -12.547 -5.934 1.00 0.00 C ATOM 1352 NH1 ARG A 95 3.211 -12.289 -5.332 1.00 0.00 N ATOM 1353 NH2 ARG A 95 1.864 -13.727 -6.508 1.00 0.00 N ATOM 0 H ARG A 95 1.697 -7.024 -1.412 1.00 0.00 H new ATOM 0 HA ARG A 95 0.106 -9.514 -1.302 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.132 -8.673 -3.553 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.571 -8.273 -3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.086 -10.746 -3.437 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.364 -11.059 -3.542 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.444 -9.653 -5.738 1.00 0.00 H new ATOM 0 HD3 ARG A 95 2.182 -9.864 -5.652 1.00 0.00 H new ATOM 0 HE ARG A 95 0.223 -11.859 -6.432 1.00 0.00 H new ATOM 0 HH11 ARG A 95 3.363 -11.383 -4.889 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.945 -12.997 -5.312 1.00 0.00 H new ATOM 0 HH21 ARG A 95 0.978 -13.929 -6.971 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.601 -14.432 -6.486 1.00 0.00 H new ATOM 1367 N ARG A 96 2.117 -10.577 -0.341 1.00 0.00 N ATOM 1368 CA ARG A 96 3.276 -11.285 0.187 1.00 0.00 C ATOM 1369 C ARG A 96 3.949 -12.115 -0.903 1.00 0.00 C ATOM 1370 O ARG A 96 3.348 -13.013 -1.493 1.00 0.00 O ATOM 1371 CB ARG A 96 2.863 -12.189 1.350 1.00 0.00 C ATOM 1372 CG ARG A 96 3.984 -12.459 2.340 1.00 0.00 C ATOM 1373 CD ARG A 96 3.464 -13.130 3.601 1.00 0.00 C ATOM 1374 NE ARG A 96 4.548 -13.635 4.440 1.00 0.00 N ATOM 1375 CZ ARG A 96 4.402 -13.939 5.725 1.00 0.00 C ATOM 1376 NH1 ARG A 96 3.224 -13.791 6.315 1.00 0.00 N ATOM 1377 NH2 ARG A 96 5.436 -14.393 6.422 1.00 0.00 N ATOM 0 H ARG A 96 1.224 -10.881 0.048 1.00 0.00 H new ATOM 0 HA ARG A 96 3.989 -10.544 0.548 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.027 -11.729 1.877 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.505 -13.138 0.952 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.738 -13.093 1.874 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.474 -11.521 2.601 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.867 -12.418 4.170 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.804 -13.953 3.328 1.00 0.00 H new ATOM 0 HE ARG A 96 5.467 -13.761 4.016 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.427 -13.443 5.782 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.115 -14.025 7.302 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.344 -14.509 5.971 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.323 -14.626 7.409 1.00 0.00 H new ATOM 1391 N PRO A 97 5.225 -11.809 -1.177 1.00 0.00 N ATOM 1392 CA PRO A 97 6.007 -12.515 -2.197 1.00 0.00 C ATOM 1393 C PRO A 97 6.335 -13.947 -1.788 1.00 0.00 C ATOM 1394 O PRO A 97 5.728 -14.495 -0.867 1.00 0.00 O ATOM 1395 CB PRO A 97 7.287 -11.682 -2.302 1.00 0.00 C ATOM 1396 CG PRO A 97 7.411 -11.009 -0.979 1.00 0.00 C ATOM 1397 CD PRO A 97 6.005 -10.751 -0.512 1.00 0.00 C ATOM 0 HA PRO A 97 5.463 -12.606 -3.137 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.153 -12.311 -2.509 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.221 -10.955 -3.111 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.948 -11.639 -0.270 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.970 -10.078 -1.066 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.924 -10.814 0.573 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.662 -9.757 -0.800 1.00 0.00 H new