USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 591 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 HIS : no HE2:sc= -2.84 K(o=-2.8,f=-5.7!) USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 63 THR OG1 : rot -40:sc= 0.449 USER MOD Set 2.2: A 94 SER OG : rot -67:sc= 1.3! USER MOD Set 3.1: A 17 LYS NZ :NH3+ -123:sc= -3.65 (180deg=-4.34!) USER MOD Set 3.2: A 85 THR OG1 : rot -68:sc= 0.05 USER MOD Single : A 38 THR OG1 : rot -32:sc= 0.217 USER MOD Single : A 43 ASN : amide:sc= -0.0749 K(o=-0.075,f=-7.2!) USER MOD Single : A 46 HIS : no HD1:sc= -0.105 K(o=-0.1,f=-0.9) USER MOD Single : A 53 SER OG : rot -98:sc= 1.18 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -5.31! C(o=-5.3!,f=-1.2!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 170:sc= -4.19! USER MOD Single : A 79 GLN : amide:sc= -8.35! C(o=-8.4!,f=-14!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00212 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 103 N ARG A 11 3.843 1.311 -10.501 1.00 0.00 N ATOM 104 CA ARG A 11 4.182 -0.104 -10.592 1.00 0.00 C ATOM 105 C ARG A 11 3.128 -0.961 -9.897 1.00 0.00 C ATOM 106 O ARG A 11 2.904 -0.832 -8.694 1.00 0.00 O ATOM 107 CB ARG A 11 5.556 -0.361 -9.969 1.00 0.00 C ATOM 108 CG ARG A 11 6.091 -1.760 -10.231 1.00 0.00 C ATOM 109 CD ARG A 11 7.189 -2.130 -9.247 1.00 0.00 C ATOM 110 NE ARG A 11 8.058 -3.182 -9.767 1.00 0.00 N ATOM 111 CZ ARG A 11 9.093 -2.953 -10.568 1.00 0.00 C ATOM 112 NH1 ARG A 11 9.387 -1.714 -10.938 1.00 0.00 N ATOM 113 NH2 ARG A 11 9.836 -3.964 -10.999 1.00 0.00 N ATOM 0 HA ARG A 11 4.211 -0.379 -11.646 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.265 0.369 -10.359 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.493 -0.201 -8.893 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.277 -2.481 -10.158 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.478 -1.818 -11.248 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.785 -1.246 -9.020 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.740 -2.461 -8.310 1.00 0.00 H new ATOM 0 HE ARG A 11 7.859 -4.146 -9.500 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.818 -0.935 -10.608 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.182 -1.540 -11.553 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.613 -4.918 -10.715 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.630 -3.787 -11.614 1.00 0.00 H new ATOM 127 N GLU A 12 2.484 -1.835 -10.664 1.00 0.00 N ATOM 128 CA GLU A 12 1.453 -2.712 -10.122 1.00 0.00 C ATOM 129 C GLU A 12 2.047 -4.052 -9.697 1.00 0.00 C ATOM 130 O GLU A 12 2.516 -4.828 -10.529 1.00 0.00 O ATOM 131 CB GLU A 12 0.348 -2.937 -11.156 1.00 0.00 C ATOM 132 CG GLU A 12 -0.983 -3.344 -10.547 1.00 0.00 C ATOM 133 CD GLU A 12 -1.723 -2.175 -9.928 1.00 0.00 C ATOM 134 OE1 GLU A 12 -1.055 -1.267 -9.390 1.00 0.00 O ATOM 135 OE2 GLU A 12 -2.971 -2.167 -9.980 1.00 0.00 O ATOM 0 H GLU A 12 2.658 -1.955 -11.662 1.00 0.00 H new ATOM 0 HA GLU A 12 1.026 -2.228 -9.244 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.210 -2.022 -11.732 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.669 -3.709 -11.856 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.607 -3.797 -11.317 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.812 -4.105 -9.786 1.00 0.00 H new ATOM 142 N VAL A 13 2.023 -4.316 -8.394 1.00 0.00 N ATOM 143 CA VAL A 13 2.558 -5.561 -7.857 1.00 0.00 C ATOM 144 C VAL A 13 1.453 -6.415 -7.244 1.00 0.00 C ATOM 145 O VAL A 13 0.922 -6.093 -6.181 1.00 0.00 O ATOM 146 CB VAL A 13 3.636 -5.295 -6.790 1.00 0.00 C ATOM 147 CG1 VAL A 13 4.217 -6.605 -6.279 1.00 0.00 C ATOM 148 CG2 VAL A 13 4.731 -4.401 -7.352 1.00 0.00 C ATOM 0 H VAL A 13 1.639 -3.684 -7.691 1.00 0.00 H new ATOM 0 HA VAL A 13 3.008 -6.098 -8.692 1.00 0.00 H new ATOM 0 HB VAL A 13 3.171 -4.779 -5.950 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.977 -6.397 -5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.423 -7.207 -5.837 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.668 -7.151 -7.108 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.485 -4.223 -6.585 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.194 -4.889 -8.210 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.300 -3.450 -7.664 1.00 0.00 H new ATOM 158 N HIS A 14 1.111 -7.506 -7.922 1.00 0.00 N ATOM 159 CA HIS A 14 0.069 -8.408 -7.444 1.00 0.00 C ATOM 160 C HIS A 14 0.666 -9.528 -6.598 1.00 0.00 C ATOM 161 O HIS A 14 1.800 -9.953 -6.823 1.00 0.00 O ATOM 162 CB HIS A 14 -0.703 -9.001 -8.624 1.00 0.00 C ATOM 163 CG HIS A 14 -1.346 -7.969 -9.498 1.00 0.00 C ATOM 164 ND1 HIS A 14 -2.618 -8.106 -10.014 1.00 0.00 N ATOM 165 CD2 HIS A 14 -0.887 -6.776 -9.945 1.00 0.00 C ATOM 166 CE1 HIS A 14 -2.912 -7.044 -10.742 1.00 0.00 C ATOM 167 NE2 HIS A 14 -1.879 -6.222 -10.716 1.00 0.00 N ATOM 0 H HIS A 14 1.540 -7.787 -8.804 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.617 -7.833 -6.822 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.023 -9.603 -9.227 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.472 -9.673 -8.243 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -3.235 -8.903 -9.858 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.079 -6.341 -9.734 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.840 -6.876 -11.269 1.00 0.00 H new ATOM 175 N LEU A 15 -0.103 -10.000 -5.623 1.00 0.00 N ATOM 176 CA LEU A 15 0.351 -11.071 -4.742 1.00 0.00 C ATOM 177 C LEU A 15 -0.728 -12.137 -4.580 1.00 0.00 C ATOM 178 O LEU A 15 -1.873 -11.941 -4.986 1.00 0.00 O ATOM 179 CB LEU A 15 0.732 -10.504 -3.373 1.00 0.00 C ATOM 180 CG LEU A 15 1.549 -9.211 -3.386 1.00 0.00 C ATOM 181 CD1 LEU A 15 1.251 -8.379 -2.149 1.00 0.00 C ATOM 182 CD2 LEU A 15 3.036 -9.521 -3.477 1.00 0.00 C ATOM 0 H LEU A 15 -1.043 -9.659 -5.422 1.00 0.00 H new ATOM 0 HA LEU A 15 1.228 -11.533 -5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.183 -10.326 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.298 -11.263 -2.833 1.00 0.00 H new ATOM 0 HG LEU A 15 1.264 -8.633 -4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.841 -7.463 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.191 -8.127 -2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.507 -8.950 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.602 -8.590 -3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.336 -10.120 -2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.237 -10.075 -4.394 1.00 0.00 H new ATOM 194 N GLU A 16 -0.354 -13.264 -3.983 1.00 0.00 N ATOM 195 CA GLU A 16 -1.291 -14.361 -3.767 1.00 0.00 C ATOM 196 C GLU A 16 -1.249 -14.835 -2.317 1.00 0.00 C ATOM 197 O GLU A 16 -0.294 -15.485 -1.892 1.00 0.00 O ATOM 198 CB GLU A 16 -0.972 -15.526 -4.706 1.00 0.00 C ATOM 199 CG GLU A 16 -1.183 -15.201 -6.175 1.00 0.00 C ATOM 200 CD GLU A 16 -0.413 -13.972 -6.616 1.00 0.00 C ATOM 201 OE1 GLU A 16 0.835 -14.007 -6.579 1.00 0.00 O ATOM 202 OE2 GLU A 16 -1.059 -12.974 -7.000 1.00 0.00 O ATOM 0 H GLU A 16 0.590 -13.442 -3.640 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.295 -13.995 -3.982 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.064 -15.830 -4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.596 -16.379 -4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.876 -16.054 -6.780 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.246 -15.045 -6.360 1.00 0.00 H new ATOM 209 N LYS A 17 -2.291 -14.503 -1.562 1.00 0.00 N ATOM 210 CA LYS A 17 -2.376 -14.894 -0.160 1.00 0.00 C ATOM 211 C LYS A 17 -3.409 -15.999 0.035 1.00 0.00 C ATOM 212 O LYS A 17 -4.099 -16.390 -0.906 1.00 0.00 O ATOM 213 CB LYS A 17 -2.735 -13.686 0.707 1.00 0.00 C ATOM 214 CG LYS A 17 -4.215 -13.344 0.691 1.00 0.00 C ATOM 215 CD LYS A 17 -4.592 -12.438 1.850 1.00 0.00 C ATOM 216 CE LYS A 17 -4.428 -10.970 1.486 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.538 -10.087 2.680 1.00 0.00 N ATOM 0 H LYS A 17 -3.089 -13.964 -1.898 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.401 -15.275 0.145 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.427 -13.882 1.734 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.167 -12.821 0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.466 -12.855 -0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.802 -14.261 0.740 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.625 -12.629 2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.969 -12.672 2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.458 -10.820 1.011 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.187 -10.690 0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.297 -9.392 2.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.757 -10.662 3.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.637 -9.589 2.828 1.00 0.00 H new ATOM 231 N ARG A 18 -3.511 -16.497 1.263 1.00 0.00 N ATOM 232 CA ARG A 18 -4.461 -17.557 1.581 1.00 0.00 C ATOM 233 C ARG A 18 -5.716 -16.984 2.233 1.00 0.00 C ATOM 234 O ARG A 18 -5.633 -16.200 3.179 1.00 0.00 O ATOM 235 CB ARG A 18 -3.816 -18.587 2.510 1.00 0.00 C ATOM 236 CG ARG A 18 -3.069 -19.688 1.773 1.00 0.00 C ATOM 237 CD ARG A 18 -4.017 -20.769 1.278 1.00 0.00 C ATOM 238 NE ARG A 18 -4.519 -20.485 -0.064 1.00 0.00 N ATOM 239 CZ ARG A 18 -3.755 -20.495 -1.151 1.00 0.00 C ATOM 240 NH1 ARG A 18 -2.463 -20.774 -1.055 1.00 0.00 N ATOM 241 NH2 ARG A 18 -4.285 -20.226 -2.337 1.00 0.00 N ATOM 0 H ARG A 18 -2.948 -16.184 2.054 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.747 -18.046 0.650 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.125 -18.077 3.181 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.589 -19.038 3.132 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.530 -19.260 0.928 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.325 -20.130 2.435 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.502 -21.730 1.276 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.856 -20.858 1.968 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.510 -20.267 -0.173 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.052 -20.982 -0.145 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.879 -20.781 -1.891 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.279 -20.011 -2.415 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.698 -20.234 -3.171 1.00 0.00 H new ATOM 255 N ARG A 19 -6.876 -17.381 1.721 1.00 0.00 N ATOM 256 CA ARG A 19 -8.148 -16.906 2.252 1.00 0.00 C ATOM 257 C ARG A 19 -8.068 -16.713 3.764 1.00 0.00 C ATOM 258 O ARG A 19 -7.820 -17.660 4.509 1.00 0.00 O ATOM 259 CB ARG A 19 -9.267 -17.892 1.912 1.00 0.00 C ATOM 260 CG ARG A 19 -10.654 -17.391 2.282 1.00 0.00 C ATOM 261 CD ARG A 19 -11.726 -18.025 1.410 1.00 0.00 C ATOM 262 NE ARG A 19 -12.915 -17.183 1.305 1.00 0.00 N ATOM 263 CZ ARG A 19 -13.984 -17.508 0.587 1.00 0.00 C ATOM 264 NH1 ARG A 19 -14.013 -18.649 -0.087 1.00 0.00 N ATOM 265 NH2 ARG A 19 -15.028 -16.689 0.541 1.00 0.00 N ATOM 0 H ARG A 19 -6.961 -18.030 0.939 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.369 -15.943 1.791 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.240 -18.105 0.843 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.080 -18.833 2.429 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.856 -17.615 3.329 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.691 -16.307 2.175 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.322 -18.208 0.414 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.004 -18.994 1.824 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.925 -16.297 1.811 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.213 -19.281 -0.055 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.836 -18.895 -0.637 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -15.009 -15.810 1.057 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.849 -16.939 -0.011 1.00 0.00 H new ATOM 279 N GLY A 20 -8.279 -15.478 4.209 1.00 0.00 N ATOM 280 CA GLY A 20 -8.225 -15.182 5.629 1.00 0.00 C ATOM 281 C GLY A 20 -6.807 -15.162 6.164 1.00 0.00 C ATOM 282 O GLY A 20 -6.557 -15.589 7.291 1.00 0.00 O ATOM 0 H GLY A 20 -8.486 -14.677 3.612 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.693 -14.215 5.813 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.805 -15.926 6.174 1.00 0.00 H new ATOM 286 N GLU A 21 -5.877 -14.667 5.354 1.00 0.00 N ATOM 287 CA GLU A 21 -4.476 -14.597 5.752 1.00 0.00 C ATOM 288 C GLU A 21 -4.015 -13.146 5.864 1.00 0.00 C ATOM 289 O GLU A 21 -3.988 -12.414 4.875 1.00 0.00 O ATOM 290 CB GLU A 21 -3.599 -15.347 4.748 1.00 0.00 C ATOM 291 CG GLU A 21 -2.111 -15.236 5.038 1.00 0.00 C ATOM 292 CD GLU A 21 -1.316 -16.390 4.458 1.00 0.00 C ATOM 293 OE1 GLU A 21 -1.170 -16.447 3.219 1.00 0.00 O ATOM 294 OE2 GLU A 21 -0.841 -17.236 5.244 1.00 0.00 O ATOM 0 H GLU A 21 -6.068 -14.309 4.418 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.378 -15.068 6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.883 -16.399 4.746 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.795 -14.962 3.748 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.734 -14.298 4.630 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.957 -15.199 6.116 1.00 0.00 H new ATOM 301 N GLY A 22 -3.652 -12.738 7.076 1.00 0.00 N ATOM 302 CA GLY A 22 -3.198 -11.377 7.296 1.00 0.00 C ATOM 303 C GLY A 22 -2.258 -10.897 6.207 1.00 0.00 C ATOM 304 O GLY A 22 -1.246 -11.540 5.923 1.00 0.00 O ATOM 0 H GLY A 22 -3.664 -13.326 7.910 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.061 -10.713 7.346 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.693 -11.317 8.260 1.00 0.00 H new ATOM 308 N LEU A 23 -2.592 -9.767 5.596 1.00 0.00 N ATOM 309 CA LEU A 23 -1.772 -9.201 4.530 1.00 0.00 C ATOM 310 C LEU A 23 -0.324 -9.043 4.984 1.00 0.00 C ATOM 311 O LEU A 23 0.605 -9.184 4.190 1.00 0.00 O ATOM 312 CB LEU A 23 -2.332 -7.847 4.092 1.00 0.00 C ATOM 313 CG LEU A 23 -2.059 -7.445 2.642 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.467 -6.000 2.403 1.00 0.00 C ATOM 315 CD2 LEU A 23 -0.590 -7.650 2.300 1.00 0.00 C ATOM 0 H LEU A 23 -3.426 -9.223 5.820 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.796 -9.887 3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.411 -7.854 4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.920 -7.078 4.745 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.656 -8.082 1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.265 -5.732 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.531 -5.884 2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.897 -5.347 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.413 -7.359 1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.026 -7.038 2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.329 -8.700 2.431 1.00 0.00 H new ATOM 327 N GLY A 24 -0.140 -8.751 6.268 1.00 0.00 N ATOM 328 CA GLY A 24 1.197 -8.580 6.806 1.00 0.00 C ATOM 329 C GLY A 24 1.869 -7.320 6.299 1.00 0.00 C ATOM 330 O GLY A 24 2.926 -7.382 5.671 1.00 0.00 O ATOM 0 H GLY A 24 -0.893 -8.630 6.945 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.146 -8.548 7.894 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.805 -9.445 6.541 1.00 0.00 H new ATOM 334 N VAL A 25 1.255 -6.173 6.571 1.00 0.00 N ATOM 335 CA VAL A 25 1.801 -4.892 6.137 1.00 0.00 C ATOM 336 C VAL A 25 1.508 -3.797 7.156 1.00 0.00 C ATOM 337 O VAL A 25 0.354 -3.555 7.509 1.00 0.00 O ATOM 338 CB VAL A 25 1.228 -4.472 4.770 1.00 0.00 C ATOM 339 CG1 VAL A 25 1.925 -5.223 3.646 1.00 0.00 C ATOM 340 CG2 VAL A 25 -0.274 -4.706 4.727 1.00 0.00 C ATOM 0 H VAL A 25 0.379 -6.104 7.090 1.00 0.00 H new ATOM 0 HA VAL A 25 2.879 -5.022 6.046 1.00 0.00 H new ATOM 0 HB VAL A 25 1.410 -3.406 4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.507 -4.914 2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.992 -5.000 3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.776 -6.295 3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.662 -4.404 3.754 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.482 -5.764 4.888 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.756 -4.118 5.508 1.00 0.00 H new ATOM 350 N ALA A 26 2.562 -3.136 7.626 1.00 0.00 N ATOM 351 CA ALA A 26 2.418 -2.064 8.603 1.00 0.00 C ATOM 352 C ALA A 26 2.576 -0.698 7.945 1.00 0.00 C ATOM 353 O ALA A 26 3.671 -0.324 7.523 1.00 0.00 O ATOM 354 CB ALA A 26 3.432 -2.233 9.724 1.00 0.00 C ATOM 0 H ALA A 26 3.524 -3.325 7.346 1.00 0.00 H new ATOM 0 HA ALA A 26 1.414 -2.121 9.024 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.313 -1.426 10.447 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.270 -3.190 10.220 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.440 -2.204 9.310 1.00 0.00 H new ATOM 360 N LEU A 27 1.477 0.044 7.861 1.00 0.00 N ATOM 361 CA LEU A 27 1.494 1.370 7.254 1.00 0.00 C ATOM 362 C LEU A 27 1.374 2.457 8.317 1.00 0.00 C ATOM 363 O LEU A 27 1.099 2.173 9.483 1.00 0.00 O ATOM 364 CB LEU A 27 0.355 1.503 6.242 1.00 0.00 C ATOM 365 CG LEU A 27 0.296 0.431 5.153 1.00 0.00 C ATOM 366 CD1 LEU A 27 -1.125 0.276 4.633 1.00 0.00 C ATOM 367 CD2 LEU A 27 1.247 0.772 4.016 1.00 0.00 C ATOM 0 H LEU A 27 0.563 -0.250 8.206 1.00 0.00 H new ATOM 0 HA LEU A 27 2.447 1.495 6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.590 1.493 6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.436 2.478 5.760 1.00 0.00 H new ATOM 0 HG LEU A 27 0.608 -0.518 5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.148 -0.491 3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.782 -0.016 5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.465 1.224 4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.191 -0.002 3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.966 1.732 3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.266 0.831 4.399 1.00 0.00 H new ATOM 379 N VAL A 28 1.581 3.705 7.907 1.00 0.00 N ATOM 380 CA VAL A 28 1.492 4.835 8.823 1.00 0.00 C ATOM 381 C VAL A 28 1.067 6.103 8.091 1.00 0.00 C ATOM 382 O VAL A 28 0.937 6.111 6.868 1.00 0.00 O ATOM 383 CB VAL A 28 2.836 5.090 9.531 1.00 0.00 C ATOM 384 CG1 VAL A 28 3.102 4.017 10.576 1.00 0.00 C ATOM 385 CG2 VAL A 28 3.969 5.150 8.517 1.00 0.00 C ATOM 0 H VAL A 28 1.811 3.958 6.946 1.00 0.00 H new ATOM 0 HA VAL A 28 0.739 4.580 9.569 1.00 0.00 H new ATOM 0 HB VAL A 28 2.782 6.053 10.039 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.056 4.214 11.065 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.304 4.027 11.319 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.137 3.040 10.094 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.911 5.331 9.034 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.026 4.204 7.979 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.782 5.959 7.810 1.00 0.00 H new ATOM 395 N GLU A 29 0.853 7.174 8.850 1.00 0.00 N ATOM 396 CA GLU A 29 0.442 8.449 8.273 1.00 0.00 C ATOM 397 C GLU A 29 1.630 9.399 8.152 1.00 0.00 C ATOM 398 O GLU A 29 2.156 9.882 9.155 1.00 0.00 O ATOM 399 CB GLU A 29 -0.654 9.090 9.126 1.00 0.00 C ATOM 400 CG GLU A 29 -1.425 10.183 8.404 1.00 0.00 C ATOM 401 CD GLU A 29 -2.613 10.683 9.203 1.00 0.00 C ATOM 402 OE1 GLU A 29 -2.395 11.339 10.243 1.00 0.00 O ATOM 403 OE2 GLU A 29 -3.761 10.419 8.787 1.00 0.00 O ATOM 0 H GLU A 29 0.957 7.184 9.865 1.00 0.00 H new ATOM 0 HA GLU A 29 0.049 8.258 7.274 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.352 8.317 9.448 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.204 9.508 10.026 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.755 11.017 8.195 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.772 9.804 7.443 1.00 0.00 H new ATOM 522 N THR A 38 -0.369 10.556 3.179 1.00 0.00 N ATOM 523 CA THR A 38 -0.123 9.503 2.201 1.00 0.00 C ATOM 524 C THR A 38 0.188 8.178 2.887 1.00 0.00 C ATOM 525 O THR A 38 0.531 8.145 4.068 1.00 0.00 O ATOM 526 CB THR A 38 1.043 9.869 1.264 1.00 0.00 C ATOM 527 OG1 THR A 38 2.150 10.361 2.027 1.00 0.00 O ATOM 528 CG2 THR A 38 0.613 10.918 0.249 1.00 0.00 C ATOM 0 HA THR A 38 -1.034 9.399 1.612 1.00 0.00 H new ATOM 0 HB THR A 38 1.344 8.969 0.727 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.818 10.824 2.824 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.453 11.161 -0.402 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.210 10.528 -0.351 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.287 11.818 0.771 1.00 0.00 H new ATOM 536 N ALA A 39 0.065 7.087 2.139 1.00 0.00 N ATOM 537 CA ALA A 39 0.336 5.758 2.675 1.00 0.00 C ATOM 538 C ALA A 39 1.813 5.404 2.544 1.00 0.00 C ATOM 539 O ALA A 39 2.384 5.472 1.456 1.00 0.00 O ATOM 540 CB ALA A 39 -0.523 4.719 1.968 1.00 0.00 C ATOM 0 H ALA A 39 -0.221 7.097 1.160 1.00 0.00 H new ATOM 0 HA ALA A 39 0.083 5.762 3.735 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.311 3.732 2.378 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.577 4.955 2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.298 4.725 0.902 1.00 0.00 H new ATOM 546 N VAL A 40 2.427 5.027 3.661 1.00 0.00 N ATOM 547 CA VAL A 40 3.839 4.662 3.671 1.00 0.00 C ATOM 548 C VAL A 40 4.090 3.462 4.577 1.00 0.00 C ATOM 549 O VAL A 40 3.793 3.501 5.772 1.00 0.00 O ATOM 550 CB VAL A 40 4.719 5.837 4.138 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.190 5.526 3.907 1.00 0.00 C ATOM 552 CG2 VAL A 40 4.318 7.119 3.424 1.00 0.00 C ATOM 0 H VAL A 40 1.969 4.966 4.570 1.00 0.00 H new ATOM 0 HA VAL A 40 4.106 4.402 2.647 1.00 0.00 H new ATOM 0 HB VAL A 40 4.566 5.981 5.208 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.797 6.367 4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.466 4.633 4.468 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.363 5.355 2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.950 7.939 3.766 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.441 6.990 2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.275 7.348 3.645 1.00 0.00 H new ATOM 562 N ILE A 41 4.638 2.398 4.002 1.00 0.00 N ATOM 563 CA ILE A 41 4.931 1.187 4.759 1.00 0.00 C ATOM 564 C ILE A 41 5.913 1.469 5.890 1.00 0.00 C ATOM 565 O ILE A 41 7.104 1.671 5.656 1.00 0.00 O ATOM 566 CB ILE A 41 5.511 0.084 3.854 1.00 0.00 C ATOM 567 CG1 ILE A 41 4.563 -0.200 2.686 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.763 -1.183 4.658 1.00 0.00 C ATOM 569 CD1 ILE A 41 5.266 -0.700 1.444 1.00 0.00 C ATOM 0 H ILE A 41 4.888 2.349 3.014 1.00 0.00 H new ATOM 0 HA ILE A 41 3.986 0.842 5.179 1.00 0.00 H new ATOM 0 HB ILE A 41 6.462 0.430 3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.826 -0.939 2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.017 0.711 2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.173 -1.953 4.005 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.472 -0.971 5.458 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.825 -1.534 5.088 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.532 -0.880 0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.984 0.048 1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.790 -1.629 1.671 1.00 0.00 H new ATOM 581 N ALA A 42 5.405 1.479 7.118 1.00 0.00 N ATOM 582 CA ALA A 42 6.239 1.733 8.287 1.00 0.00 C ATOM 583 C ALA A 42 7.044 0.495 8.666 1.00 0.00 C ATOM 584 O ALA A 42 8.217 0.592 9.026 1.00 0.00 O ATOM 585 CB ALA A 42 5.380 2.185 9.459 1.00 0.00 C ATOM 0 H ALA A 42 4.421 1.314 7.329 1.00 0.00 H new ATOM 0 HA ALA A 42 6.941 2.528 8.036 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.015 2.371 10.325 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.853 3.101 9.192 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.656 1.407 9.701 1.00 0.00 H new ATOM 591 N ASN A 43 6.407 -0.668 8.583 1.00 0.00 N ATOM 592 CA ASN A 43 7.065 -1.926 8.918 1.00 0.00 C ATOM 593 C ASN A 43 6.442 -3.088 8.150 1.00 0.00 C ATOM 594 O ASN A 43 5.276 -3.032 7.757 1.00 0.00 O ATOM 595 CB ASN A 43 6.974 -2.188 10.423 1.00 0.00 C ATOM 596 CG ASN A 43 8.020 -3.176 10.903 1.00 0.00 C ATOM 597 OD1 ASN A 43 8.716 -3.798 10.100 1.00 0.00 O ATOM 598 ND2 ASN A 43 8.134 -3.324 12.217 1.00 0.00 N ATOM 0 H ASN A 43 5.436 -0.766 8.287 1.00 0.00 H new ATOM 0 HA ASN A 43 8.114 -1.846 8.632 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.093 -1.247 10.961 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.981 -2.569 10.663 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.820 -3.975 12.599 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.535 -2.787 12.845 1.00 0.00 H new ATOM 605 N LEU A 44 7.227 -4.139 7.941 1.00 0.00 N ATOM 606 CA LEU A 44 6.753 -5.316 7.220 1.00 0.00 C ATOM 607 C LEU A 44 7.112 -6.595 7.969 1.00 0.00 C ATOM 608 O LEU A 44 8.082 -6.631 8.728 1.00 0.00 O ATOM 609 CB LEU A 44 7.350 -5.351 5.812 1.00 0.00 C ATOM 610 CG LEU A 44 6.794 -4.328 4.821 1.00 0.00 C ATOM 611 CD1 LEU A 44 7.240 -4.658 3.406 1.00 0.00 C ATOM 612 CD2 LEU A 44 5.275 -4.276 4.905 1.00 0.00 C ATOM 0 H LEU A 44 8.194 -4.201 8.260 1.00 0.00 H new ATOM 0 HA LEU A 44 5.667 -5.253 7.146 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.427 -5.201 5.892 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.196 -6.348 5.399 1.00 0.00 H new ATOM 0 HG LEU A 44 7.187 -3.346 5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.834 -3.919 2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.329 -4.644 3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.877 -5.649 3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.896 -3.543 4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.864 -5.257 4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.976 -3.991 5.914 1.00 0.00 H new ATOM 624 N LEU A 45 6.326 -7.643 7.751 1.00 0.00 N ATOM 625 CA LEU A 45 6.563 -8.926 8.403 1.00 0.00 C ATOM 626 C LEU A 45 7.258 -9.899 7.456 1.00 0.00 C ATOM 627 O LEU A 45 6.615 -10.528 6.615 1.00 0.00 O ATOM 628 CB LEU A 45 5.241 -9.525 8.889 1.00 0.00 C ATOM 629 CG LEU A 45 5.346 -10.565 10.005 1.00 0.00 C ATOM 630 CD1 LEU A 45 4.012 -10.714 10.721 1.00 0.00 C ATOM 631 CD2 LEU A 45 5.806 -11.903 9.446 1.00 0.00 C ATOM 0 H LEU A 45 5.519 -7.630 7.128 1.00 0.00 H new ATOM 0 HA LEU A 45 7.215 -8.755 9.260 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.603 -8.712 9.236 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.738 -9.984 8.038 1.00 0.00 H new ATOM 0 HG LEU A 45 6.087 -10.222 10.727 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.105 -11.458 11.512 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.723 -9.757 11.155 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.251 -11.034 10.009 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.875 -12.631 10.255 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.089 -12.253 8.703 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.784 -11.785 8.979 1.00 0.00 H new ATOM 643 N HIS A 46 8.573 -10.020 7.601 1.00 0.00 N ATOM 644 CA HIS A 46 9.356 -10.919 6.760 1.00 0.00 C ATOM 645 C HIS A 46 8.733 -12.311 6.726 1.00 0.00 C ATOM 646 O HIS A 46 9.078 -13.176 7.530 1.00 0.00 O ATOM 647 CB HIS A 46 10.795 -11.004 7.268 1.00 0.00 C ATOM 648 CG HIS A 46 11.703 -9.974 6.670 1.00 0.00 C ATOM 649 ND1 HIS A 46 11.241 -8.854 6.011 1.00 0.00 N ATOM 650 CD2 HIS A 46 13.054 -9.897 6.636 1.00 0.00 C ATOM 651 CE1 HIS A 46 12.268 -8.135 5.596 1.00 0.00 C ATOM 652 NE2 HIS A 46 13.380 -8.745 5.963 1.00 0.00 N ATOM 0 H HIS A 46 9.119 -9.507 8.293 1.00 0.00 H new ATOM 0 HA HIS A 46 9.360 -10.517 5.747 1.00 0.00 H new ATOM 0 HB2 HIS A 46 10.796 -10.892 8.352 1.00 0.00 H new ATOM 0 HB3 HIS A 46 11.191 -11.996 7.050 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.747 -10.609 7.059 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.208 -7.206 5.049 1.00 0.00 H new ATOM 0 HE2 HIS A 46 14.327 -8.415 5.777 1.00 0.00 H new ATOM 660 N GLY A 47 7.811 -12.520 5.791 1.00 0.00 N ATOM 661 CA GLY A 47 7.154 -13.808 5.671 1.00 0.00 C ATOM 662 C GLY A 47 5.737 -13.690 5.147 1.00 0.00 C ATOM 663 O GLY A 47 5.140 -14.678 4.723 1.00 0.00 O ATOM 0 H GLY A 47 7.507 -11.820 5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.733 -14.447 5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.138 -14.296 6.645 1.00 0.00 H new ATOM 667 N GLY A 48 5.195 -12.475 5.178 1.00 0.00 N ATOM 668 CA GLY A 48 3.843 -12.254 4.701 1.00 0.00 C ATOM 669 C GLY A 48 3.727 -12.402 3.197 1.00 0.00 C ATOM 670 O GLY A 48 4.719 -12.588 2.491 1.00 0.00 O ATOM 0 H GLY A 48 5.669 -11.641 5.525 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.170 -12.961 5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.518 -11.255 4.991 1.00 0.00 H new ATOM 674 N PRO A 49 2.490 -12.320 2.684 1.00 0.00 N ATOM 675 CA PRO A 49 2.219 -12.445 1.248 1.00 0.00 C ATOM 676 C PRO A 49 2.733 -11.248 0.455 1.00 0.00 C ATOM 677 O PRO A 49 3.073 -11.371 -0.721 1.00 0.00 O ATOM 678 CB PRO A 49 0.691 -12.514 1.181 1.00 0.00 C ATOM 679 CG PRO A 49 0.225 -11.817 2.413 1.00 0.00 C ATOM 680 CD PRO A 49 1.262 -12.099 3.465 1.00 0.00 C ATOM 0 HA PRO A 49 2.718 -13.310 0.812 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.312 -12.026 0.283 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.342 -13.546 1.154 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.125 -10.745 2.241 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.754 -12.183 2.722 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.371 -11.263 4.156 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.002 -12.974 4.061 1.00 0.00 H new ATOM 688 N ALA A 50 2.787 -10.091 1.107 1.00 0.00 N ATOM 689 CA ALA A 50 3.262 -8.873 0.463 1.00 0.00 C ATOM 690 C ALA A 50 4.779 -8.754 0.564 1.00 0.00 C ATOM 691 O ALA A 50 5.442 -8.338 -0.385 1.00 0.00 O ATOM 692 CB ALA A 50 2.593 -7.654 1.081 1.00 0.00 C ATOM 0 H ALA A 50 2.508 -9.972 2.081 1.00 0.00 H new ATOM 0 HA ALA A 50 2.997 -8.923 -0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.957 -6.751 0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.513 -7.727 0.952 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.829 -7.609 2.144 1.00 0.00 H new ATOM 698 N GLU A 51 5.321 -9.120 1.722 1.00 0.00 N ATOM 699 CA GLU A 51 6.760 -9.053 1.946 1.00 0.00 C ATOM 700 C GLU A 51 7.483 -10.154 1.175 1.00 0.00 C ATOM 701 O GLU A 51 8.476 -9.899 0.493 1.00 0.00 O ATOM 702 CB GLU A 51 7.072 -9.171 3.439 1.00 0.00 C ATOM 703 CG GLU A 51 8.555 -9.084 3.760 1.00 0.00 C ATOM 704 CD GLU A 51 9.302 -10.358 3.414 1.00 0.00 C ATOM 705 OE1 GLU A 51 8.644 -11.410 3.269 1.00 0.00 O ATOM 706 OE2 GLU A 51 10.543 -10.303 3.289 1.00 0.00 O ATOM 0 H GLU A 51 4.785 -9.466 2.518 1.00 0.00 H new ATOM 0 HA GLU A 51 7.114 -8.088 1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.546 -8.381 3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.684 -10.120 3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.993 -8.250 3.212 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.681 -8.870 4.821 1.00 0.00 H new ATOM 713 N ARG A 52 6.978 -11.378 1.291 1.00 0.00 N ATOM 714 CA ARG A 52 7.576 -12.518 0.607 1.00 0.00 C ATOM 715 C ARG A 52 8.021 -12.136 -0.802 1.00 0.00 C ATOM 716 O ARG A 52 9.042 -12.618 -1.293 1.00 0.00 O ATOM 717 CB ARG A 52 6.582 -13.679 0.542 1.00 0.00 C ATOM 718 CG ARG A 52 5.374 -13.398 -0.337 1.00 0.00 C ATOM 719 CD ARG A 52 4.657 -14.682 -0.725 1.00 0.00 C ATOM 720 NE ARG A 52 5.440 -15.485 -1.660 1.00 0.00 N ATOM 721 CZ ARG A 52 4.986 -16.593 -2.236 1.00 0.00 C ATOM 722 NH1 ARG A 52 3.760 -17.025 -1.975 1.00 0.00 N ATOM 723 NH2 ARG A 52 5.758 -17.270 -3.076 1.00 0.00 N ATOM 0 H ARG A 52 6.157 -11.605 1.852 1.00 0.00 H new ATOM 0 HA ARG A 52 8.453 -12.830 1.174 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.095 -14.565 0.168 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.241 -13.911 1.551 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.684 -12.740 0.191 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.692 -12.871 -1.237 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.451 -15.267 0.171 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.694 -14.438 -1.175 1.00 0.00 H new ATOM 0 HE ARG A 52 6.387 -15.179 -1.883 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.163 -16.506 -1.331 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.414 -17.876 -2.418 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.701 -16.940 -3.280 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.408 -18.120 -3.517 1.00 0.00 H new ATOM 737 N SER A 53 7.248 -11.267 -1.445 1.00 0.00 N ATOM 738 CA SER A 53 7.560 -10.823 -2.799 1.00 0.00 C ATOM 739 C SER A 53 9.025 -10.414 -2.913 1.00 0.00 C ATOM 740 O SER A 53 9.718 -10.802 -3.852 1.00 0.00 O ATOM 741 CB SER A 53 6.659 -9.651 -3.194 1.00 0.00 C ATOM 742 OG SER A 53 7.091 -8.448 -2.583 1.00 0.00 O ATOM 0 H SER A 53 6.402 -10.856 -1.051 1.00 0.00 H new ATOM 0 HA SER A 53 7.380 -11.656 -3.479 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.663 -9.534 -4.278 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.631 -9.863 -2.900 1.00 0.00 H new ATOM 0 HG SER A 53 6.558 -8.280 -1.778 1.00 0.00 H new ATOM 748 N GLY A 54 9.490 -9.627 -1.947 1.00 0.00 N ATOM 749 CA GLY A 54 10.870 -9.178 -1.956 1.00 0.00 C ATOM 750 C GLY A 54 11.067 -7.927 -2.790 1.00 0.00 C ATOM 751 O GLY A 54 12.185 -7.433 -2.926 1.00 0.00 O ATOM 0 H GLY A 54 8.936 -9.293 -1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.192 -8.984 -0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.505 -9.974 -2.345 1.00 0.00 H new ATOM 755 N ALA A 55 9.976 -7.414 -3.351 1.00 0.00 N ATOM 756 CA ALA A 55 10.034 -6.214 -4.175 1.00 0.00 C ATOM 757 C ALA A 55 9.525 -4.997 -3.410 1.00 0.00 C ATOM 758 O ALA A 55 9.963 -3.871 -3.651 1.00 0.00 O ATOM 759 CB ALA A 55 9.230 -6.411 -5.452 1.00 0.00 C ATOM 0 H ALA A 55 9.042 -7.811 -3.249 1.00 0.00 H new ATOM 0 HA ALA A 55 11.076 -6.035 -4.439 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.282 -5.506 -6.058 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.641 -7.249 -6.015 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.190 -6.619 -5.199 1.00 0.00 H new ATOM 765 N LEU A 56 8.598 -5.230 -2.487 1.00 0.00 N ATOM 766 CA LEU A 56 8.028 -4.152 -1.686 1.00 0.00 C ATOM 767 C LEU A 56 8.663 -4.110 -0.300 1.00 0.00 C ATOM 768 O LEU A 56 8.576 -5.072 0.464 1.00 0.00 O ATOM 769 CB LEU A 56 6.514 -4.329 -1.561 1.00 0.00 C ATOM 770 CG LEU A 56 5.752 -4.539 -2.870 1.00 0.00 C ATOM 771 CD1 LEU A 56 4.487 -5.347 -2.627 1.00 0.00 C ATOM 772 CD2 LEU A 56 5.418 -3.201 -3.513 1.00 0.00 C ATOM 0 H LEU A 56 8.225 -6.155 -2.275 1.00 0.00 H new ATOM 0 HA LEU A 56 8.237 -3.208 -2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.321 -5.182 -0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.105 -3.450 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 56 6.390 -5.099 -3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.958 -5.487 -3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.751 -6.320 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.845 -4.815 -1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.876 -3.370 -4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.799 -2.615 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.340 -2.658 -3.723 1.00 0.00 H new ATOM 784 N SER A 57 9.301 -2.988 0.020 1.00 0.00 N ATOM 785 CA SER A 57 9.952 -2.821 1.314 1.00 0.00 C ATOM 786 C SER A 57 9.494 -1.532 1.990 1.00 0.00 C ATOM 787 O SER A 57 8.866 -0.679 1.362 1.00 0.00 O ATOM 788 CB SER A 57 11.472 -2.809 1.146 1.00 0.00 C ATOM 789 OG SER A 57 11.872 -1.846 0.187 1.00 0.00 O ATOM 0 H SER A 57 9.381 -2.181 -0.599 1.00 0.00 H new ATOM 0 HA SER A 57 9.670 -3.663 1.946 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.945 -2.591 2.104 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.815 -3.797 0.839 1.00 0.00 H new ATOM 0 HG SER A 57 12.848 -1.857 0.100 1.00 0.00 H new ATOM 795 N ILE A 58 9.812 -1.399 3.273 1.00 0.00 N ATOM 796 CA ILE A 58 9.435 -0.214 4.034 1.00 0.00 C ATOM 797 C ILE A 58 9.879 1.060 3.324 1.00 0.00 C ATOM 798 O ILE A 58 11.015 1.163 2.863 1.00 0.00 O ATOM 799 CB ILE A 58 10.042 -0.238 5.450 1.00 0.00 C ATOM 800 CG1 ILE A 58 9.530 -1.452 6.227 1.00 0.00 C ATOM 801 CG2 ILE A 58 9.711 1.049 6.189 1.00 0.00 C ATOM 802 CD1 ILE A 58 10.451 -1.886 7.345 1.00 0.00 C ATOM 0 H ILE A 58 10.330 -2.097 3.807 1.00 0.00 H new ATOM 0 HA ILE A 58 8.348 -0.222 4.113 1.00 0.00 H new ATOM 0 HB ILE A 58 11.126 -0.316 5.364 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.550 -1.219 6.644 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.393 -2.284 5.536 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.146 1.017 7.188 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.120 1.898 5.642 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.629 1.155 6.268 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.025 -2.751 7.852 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.425 -2.150 6.932 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.568 -1.069 8.057 1.00 0.00 H new ATOM 814 N GLY A 59 8.975 2.031 3.241 1.00 0.00 N ATOM 815 CA GLY A 59 9.292 3.287 2.588 1.00 0.00 C ATOM 816 C GLY A 59 8.412 3.553 1.383 1.00 0.00 C ATOM 817 O GLY A 59 7.767 4.598 1.296 1.00 0.00 O ATOM 0 H GLY A 59 8.028 1.970 3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.180 4.103 3.302 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.336 3.277 2.276 1.00 0.00 H new ATOM 821 N ASP A 60 8.385 2.607 0.452 1.00 0.00 N ATOM 822 CA ASP A 60 7.578 2.744 -0.755 1.00 0.00 C ATOM 823 C ASP A 60 6.171 3.225 -0.415 1.00 0.00 C ATOM 824 O ASP A 60 5.441 2.566 0.325 1.00 0.00 O ATOM 825 CB ASP A 60 7.508 1.411 -1.502 1.00 0.00 C ATOM 826 CG ASP A 60 8.880 0.870 -1.852 1.00 0.00 C ATOM 827 OD1 ASP A 60 9.524 0.266 -0.969 1.00 0.00 O ATOM 828 OD2 ASP A 60 9.311 1.052 -3.010 1.00 0.00 O ATOM 0 H ASP A 60 8.913 1.736 0.509 1.00 0.00 H new ATOM 0 HA ASP A 60 8.052 3.486 -1.397 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.979 0.682 -0.889 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.928 1.540 -2.416 1.00 0.00 H new ATOM 833 N ARG A 61 5.798 4.378 -0.961 1.00 0.00 N ATOM 834 CA ARG A 61 4.479 4.949 -0.714 1.00 0.00 C ATOM 835 C ARG A 61 3.416 4.247 -1.554 1.00 0.00 C ATOM 836 O ARG A 61 3.632 3.957 -2.732 1.00 0.00 O ATOM 837 CB ARG A 61 4.482 6.447 -1.023 1.00 0.00 C ATOM 838 CG ARG A 61 4.347 6.763 -2.504 1.00 0.00 C ATOM 839 CD ARG A 61 2.894 6.981 -2.897 1.00 0.00 C ATOM 840 NE ARG A 61 2.464 8.356 -2.661 1.00 0.00 N ATOM 841 CZ ARG A 61 1.464 8.936 -3.316 1.00 0.00 C ATOM 842 NH1 ARG A 61 0.794 8.262 -4.241 1.00 0.00 N ATOM 843 NH2 ARG A 61 1.132 10.192 -3.045 1.00 0.00 N ATOM 0 H ARG A 61 6.390 4.935 -1.577 1.00 0.00 H new ATOM 0 HA ARG A 61 4.239 4.803 0.339 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.664 6.923 -0.482 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.408 6.885 -0.649 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.927 7.655 -2.741 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.765 5.945 -3.091 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.763 6.736 -3.951 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.259 6.300 -2.330 1.00 0.00 H new ATOM 0 HE ARG A 61 2.958 8.901 -1.955 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.046 7.296 -4.451 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.027 8.709 -4.742 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.645 10.713 -2.333 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.364 10.637 -3.548 1.00 0.00 H new ATOM 857 N LEU A 62 2.269 3.976 -0.942 1.00 0.00 N ATOM 858 CA LEU A 62 1.172 3.307 -1.633 1.00 0.00 C ATOM 859 C LEU A 62 0.221 4.324 -2.255 1.00 0.00 C ATOM 860 O LEU A 62 0.068 5.438 -1.752 1.00 0.00 O ATOM 861 CB LEU A 62 0.408 2.403 -0.664 1.00 0.00 C ATOM 862 CG LEU A 62 -0.912 1.830 -1.180 1.00 0.00 C ATOM 863 CD1 LEU A 62 -1.192 0.477 -0.544 1.00 0.00 C ATOM 864 CD2 LEU A 62 -2.055 2.796 -0.907 1.00 0.00 C ATOM 0 H LEU A 62 2.074 4.209 0.032 1.00 0.00 H new ATOM 0 HA LEU A 62 1.596 2.697 -2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.057 1.573 -0.385 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.205 2.969 0.245 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.829 1.691 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.136 0.085 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.386 -0.215 -0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.255 0.590 0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.987 2.372 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.139 2.966 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.859 3.743 -1.411 1.00 0.00 H new ATOM 876 N THR A 63 -0.420 3.933 -3.352 1.00 0.00 N ATOM 877 CA THR A 63 -1.358 4.809 -4.043 1.00 0.00 C ATOM 878 C THR A 63 -2.772 4.239 -4.007 1.00 0.00 C ATOM 879 O THR A 63 -3.747 4.979 -3.884 1.00 0.00 O ATOM 880 CB THR A 63 -0.944 5.031 -5.510 1.00 0.00 C ATOM 881 OG1 THR A 63 -1.351 3.914 -6.308 1.00 0.00 O ATOM 882 CG2 THR A 63 0.561 5.220 -5.624 1.00 0.00 C ATOM 0 H THR A 63 -0.306 3.015 -3.781 1.00 0.00 H new ATOM 0 HA THR A 63 -1.341 5.765 -3.520 1.00 0.00 H new ATOM 0 HB THR A 63 -1.436 5.934 -5.871 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.193 3.083 -5.813 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.830 5.375 -6.669 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.864 6.088 -5.039 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.069 4.332 -5.246 1.00 0.00 H new ATOM 890 N ALA A 64 -2.875 2.918 -4.115 1.00 0.00 N ATOM 891 CA ALA A 64 -4.170 2.249 -4.091 1.00 0.00 C ATOM 892 C ALA A 64 -4.036 0.812 -3.599 1.00 0.00 C ATOM 893 O ALA A 64 -2.931 0.276 -3.512 1.00 0.00 O ATOM 894 CB ALA A 64 -4.804 2.279 -5.474 1.00 0.00 C ATOM 0 H ALA A 64 -2.078 2.291 -4.220 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.816 2.784 -3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.771 1.776 -5.442 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.943 3.313 -5.788 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.153 1.769 -6.184 1.00 0.00 H new ATOM 900 N ILE A 65 -5.167 0.193 -3.279 1.00 0.00 N ATOM 901 CA ILE A 65 -5.176 -1.182 -2.796 1.00 0.00 C ATOM 902 C ILE A 65 -6.209 -2.020 -3.540 1.00 0.00 C ATOM 903 O ILE A 65 -7.405 -1.735 -3.493 1.00 0.00 O ATOM 904 CB ILE A 65 -5.470 -1.246 -1.285 1.00 0.00 C ATOM 905 CG1 ILE A 65 -4.299 -0.667 -0.490 1.00 0.00 C ATOM 906 CG2 ILE A 65 -5.748 -2.681 -0.861 1.00 0.00 C ATOM 907 CD1 ILE A 65 -4.555 -0.597 0.999 1.00 0.00 C ATOM 0 H ILE A 65 -6.090 0.622 -3.346 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.182 -1.588 -2.982 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.357 -0.647 -1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.412 -1.275 -0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.079 0.334 -0.860 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.954 -2.711 0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.611 -3.061 -1.407 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.878 -3.300 -1.080 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.682 -0.177 1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.422 0.035 1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.745 -1.599 1.383 1.00 0.00 H new ATOM 919 N ASN A 66 -5.739 -3.056 -4.227 1.00 0.00 N ATOM 920 CA ASN A 66 -6.623 -3.938 -4.981 1.00 0.00 C ATOM 921 C ASN A 66 -7.517 -3.136 -5.922 1.00 0.00 C ATOM 922 O ASN A 66 -8.656 -3.518 -6.189 1.00 0.00 O ATOM 923 CB ASN A 66 -7.484 -4.769 -4.027 1.00 0.00 C ATOM 924 CG ASN A 66 -6.735 -5.963 -3.465 1.00 0.00 C ATOM 925 OD1 ASN A 66 -6.994 -7.106 -3.843 1.00 0.00 O ATOM 926 ND2 ASN A 66 -5.803 -5.702 -2.557 1.00 0.00 N ATOM 0 H ASN A 66 -4.751 -3.306 -4.277 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.004 -4.608 -5.578 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.825 -4.138 -3.206 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.373 -5.116 -4.553 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.267 -6.465 -2.142 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.622 -4.739 -2.274 1.00 0.00 H new ATOM 933 N GLY A 67 -6.992 -2.022 -6.422 1.00 0.00 N ATOM 934 CA GLY A 67 -7.756 -1.184 -7.328 1.00 0.00 C ATOM 935 C GLY A 67 -8.650 -0.203 -6.596 1.00 0.00 C ATOM 936 O GLY A 67 -9.835 -0.081 -6.905 1.00 0.00 O ATOM 0 H GLY A 67 -6.052 -1.685 -6.216 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.071 -0.634 -7.974 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.367 -1.815 -7.974 1.00 0.00 H new ATOM 940 N THR A 68 -8.081 0.500 -5.621 1.00 0.00 N ATOM 941 CA THR A 68 -8.835 1.473 -4.840 1.00 0.00 C ATOM 942 C THR A 68 -7.955 2.647 -4.427 1.00 0.00 C ATOM 943 O THR A 68 -7.120 2.524 -3.531 1.00 0.00 O ATOM 944 CB THR A 68 -9.442 0.832 -3.578 1.00 0.00 C ATOM 945 OG1 THR A 68 -10.276 -0.273 -3.942 1.00 0.00 O ATOM 946 CG2 THR A 68 -10.254 1.850 -2.792 1.00 0.00 C ATOM 0 H THR A 68 -7.100 0.413 -5.354 1.00 0.00 H new ATOM 0 HA THR A 68 -9.641 1.834 -5.479 1.00 0.00 H new ATOM 0 HB THR A 68 -8.626 0.478 -2.949 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.657 -0.676 -3.134 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.673 1.375 -1.905 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.609 2.676 -2.491 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.063 2.230 -3.416 1.00 0.00 H new ATOM 954 N SER A 69 -8.146 3.785 -5.087 1.00 0.00 N ATOM 955 CA SER A 69 -7.367 4.981 -4.790 1.00 0.00 C ATOM 956 C SER A 69 -7.487 5.355 -3.315 1.00 0.00 C ATOM 957 O SER A 69 -8.590 5.477 -2.781 1.00 0.00 O ATOM 958 CB SER A 69 -7.832 6.148 -5.663 1.00 0.00 C ATOM 959 OG SER A 69 -7.144 7.341 -5.328 1.00 0.00 O ATOM 0 H SER A 69 -8.834 3.904 -5.831 1.00 0.00 H new ATOM 0 HA SER A 69 -6.321 4.767 -5.009 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.664 5.910 -6.713 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.905 6.295 -5.537 1.00 0.00 H new ATOM 0 HG SER A 69 -7.458 8.071 -5.901 1.00 0.00 H new ATOM 965 N LEU A 70 -6.344 5.536 -2.663 1.00 0.00 N ATOM 966 CA LEU A 70 -6.318 5.897 -1.250 1.00 0.00 C ATOM 967 C LEU A 70 -5.830 7.329 -1.062 1.00 0.00 C ATOM 968 O LEU A 70 -6.212 8.007 -0.108 1.00 0.00 O ATOM 969 CB LEU A 70 -5.418 4.933 -0.474 1.00 0.00 C ATOM 970 CG LEU A 70 -6.035 3.581 -0.114 1.00 0.00 C ATOM 971 CD1 LEU A 70 -5.075 2.767 0.739 1.00 0.00 C ATOM 972 CD2 LEU A 70 -7.361 3.775 0.608 1.00 0.00 C ATOM 0 H LEU A 70 -5.423 5.439 -3.090 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.335 5.826 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.518 4.754 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.104 5.423 0.447 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.224 3.032 -1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.531 1.808 0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.151 2.598 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.854 3.311 1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.786 2.802 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.197 4.344 1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.051 4.318 -0.038 1.00 0.00 H new ATOM 984 N VAL A 71 -4.984 7.786 -1.981 1.00 0.00 N ATOM 985 CA VAL A 71 -4.446 9.140 -1.918 1.00 0.00 C ATOM 986 C VAL A 71 -5.534 10.148 -1.568 1.00 0.00 C ATOM 987 O VAL A 71 -6.440 10.400 -2.361 1.00 0.00 O ATOM 988 CB VAL A 71 -3.794 9.547 -3.253 1.00 0.00 C ATOM 989 CG1 VAL A 71 -3.297 10.983 -3.189 1.00 0.00 C ATOM 990 CG2 VAL A 71 -2.659 8.596 -3.604 1.00 0.00 C ATOM 0 H VAL A 71 -4.657 7.239 -2.777 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.687 9.143 -1.136 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.547 9.483 -4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.840 11.252 -4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.136 11.650 -2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.559 11.077 -2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.210 8.899 -4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.904 8.625 -2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.049 7.582 -3.695 1.00 0.00 H new ATOM 1000 N GLY A 72 -5.438 10.725 -0.374 1.00 0.00 N ATOM 1001 CA GLY A 72 -6.420 11.700 0.061 1.00 0.00 C ATOM 1002 C GLY A 72 -7.138 11.276 1.327 1.00 0.00 C ATOM 1003 O GLY A 72 -7.433 12.104 2.189 1.00 0.00 O ATOM 0 H GLY A 72 -4.697 10.534 0.300 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.927 12.657 0.230 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.151 11.854 -0.733 1.00 0.00 H new ATOM 1007 N LEU A 73 -7.422 9.983 1.439 1.00 0.00 N ATOM 1008 CA LEU A 73 -8.111 9.450 2.608 1.00 0.00 C ATOM 1009 C LEU A 73 -7.172 9.374 3.807 1.00 0.00 C ATOM 1010 O LEU A 73 -5.956 9.237 3.667 1.00 0.00 O ATOM 1011 CB LEU A 73 -8.678 8.062 2.302 1.00 0.00 C ATOM 1012 CG LEU A 73 -9.890 8.023 1.371 1.00 0.00 C ATOM 1013 CD1 LEU A 73 -10.128 6.609 0.863 1.00 0.00 C ATOM 1014 CD2 LEU A 73 -11.127 8.551 2.083 1.00 0.00 C ATOM 0 H LEU A 73 -7.186 9.285 0.734 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.931 10.125 2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.886 7.457 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.953 7.588 3.244 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.686 8.665 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.995 6.601 0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.250 6.267 0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.310 5.945 1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.980 8.516 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.334 7.935 2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.955 9.581 2.396 1.00 0.00 H new ATOM 1026 N PRO A 74 -7.746 9.463 5.016 1.00 0.00 N ATOM 1027 CA PRO A 74 -6.978 9.405 6.264 1.00 0.00 C ATOM 1028 C PRO A 74 -6.408 8.016 6.529 1.00 0.00 C ATOM 1029 O PRO A 74 -6.980 7.008 6.111 1.00 0.00 O ATOM 1030 CB PRO A 74 -8.010 9.772 7.333 1.00 0.00 C ATOM 1031 CG PRO A 74 -9.322 9.395 6.738 1.00 0.00 C ATOM 1032 CD PRO A 74 -9.189 9.628 5.259 1.00 0.00 C ATOM 0 HA PRO A 74 -6.113 10.068 6.242 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.827 9.232 8.262 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.974 10.835 7.570 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.561 8.353 6.949 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.128 9.998 7.157 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.778 8.912 4.685 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -9.533 10.623 4.976 1.00 0.00 H new ATOM 1040 N LEU A 75 -5.278 7.968 7.226 1.00 0.00 N ATOM 1041 CA LEU A 75 -4.630 6.701 7.547 1.00 0.00 C ATOM 1042 C LEU A 75 -5.664 5.625 7.862 1.00 0.00 C ATOM 1043 O LEU A 75 -5.613 4.523 7.317 1.00 0.00 O ATOM 1044 CB LEU A 75 -3.683 6.877 8.736 1.00 0.00 C ATOM 1045 CG LEU A 75 -3.133 5.591 9.352 1.00 0.00 C ATOM 1046 CD1 LEU A 75 -2.041 5.002 8.473 1.00 0.00 C ATOM 1047 CD2 LEU A 75 -2.607 5.854 10.756 1.00 0.00 C ATOM 0 H LEU A 75 -4.791 8.792 7.580 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.056 6.384 6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.842 7.492 8.417 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.207 7.433 9.513 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.945 4.867 9.420 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.662 4.087 8.928 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.449 4.775 7.488 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.228 5.721 8.372 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.219 4.927 11.179 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.809 6.595 10.713 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.416 6.229 11.383 1.00 0.00 H new ATOM 1059 N ALA A 76 -6.604 5.954 8.742 1.00 0.00 N ATOM 1060 CA ALA A 76 -7.653 5.017 9.125 1.00 0.00 C ATOM 1061 C ALA A 76 -8.213 4.291 7.907 1.00 0.00 C ATOM 1062 O ALA A 76 -8.369 3.071 7.918 1.00 0.00 O ATOM 1063 CB ALA A 76 -8.766 5.745 9.866 1.00 0.00 C ATOM 0 H ALA A 76 -6.661 6.862 9.203 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.215 4.272 9.789 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.543 5.033 10.146 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.361 6.212 10.764 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.193 6.512 9.219 1.00 0.00 H new ATOM 1069 N ALA A 77 -8.513 5.050 6.858 1.00 0.00 N ATOM 1070 CA ALA A 77 -9.054 4.478 5.631 1.00 0.00 C ATOM 1071 C ALA A 77 -8.146 3.377 5.092 1.00 0.00 C ATOM 1072 O ALA A 77 -8.617 2.311 4.693 1.00 0.00 O ATOM 1073 CB ALA A 77 -9.250 5.564 4.584 1.00 0.00 C ATOM 0 H ALA A 77 -8.391 6.062 6.833 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.022 4.033 5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.654 5.123 3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.944 6.314 4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.292 6.035 4.364 1.00 0.00 H new ATOM 1079 N CYS A 78 -6.845 3.643 5.081 1.00 0.00 N ATOM 1080 CA CYS A 78 -5.871 2.675 4.588 1.00 0.00 C ATOM 1081 C CYS A 78 -5.799 1.460 5.508 1.00 0.00 C ATOM 1082 O CYS A 78 -5.676 0.327 5.045 1.00 0.00 O ATOM 1083 CB CYS A 78 -4.491 3.323 4.471 1.00 0.00 C ATOM 1084 SG CYS A 78 -4.435 4.743 3.352 1.00 0.00 S ATOM 0 H CYS A 78 -6.440 4.520 5.408 1.00 0.00 H new ATOM 0 HA CYS A 78 -6.193 2.343 3.601 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -4.166 3.641 5.461 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -3.778 2.574 4.127 1.00 0.00 H new ATOM 0 HG CYS A 78 -3.293 5.351 3.480 1.00 0.00 H new ATOM 1090 N GLN A 79 -5.875 1.706 6.812 1.00 0.00 N ATOM 1091 CA GLN A 79 -5.816 0.632 7.796 1.00 0.00 C ATOM 1092 C GLN A 79 -7.041 -0.271 7.691 1.00 0.00 C ATOM 1093 O GLN A 79 -6.959 -1.474 7.934 1.00 0.00 O ATOM 1094 CB GLN A 79 -5.715 1.211 9.208 1.00 0.00 C ATOM 1095 CG GLN A 79 -4.285 1.419 9.679 1.00 0.00 C ATOM 1096 CD GLN A 79 -3.435 2.152 8.659 1.00 0.00 C ATOM 1097 OE1 GLN A 79 -3.955 2.857 7.794 1.00 0.00 O ATOM 1098 NE2 GLN A 79 -2.121 1.988 8.756 1.00 0.00 N ATOM 0 H GLN A 79 -5.977 2.639 7.211 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.928 0.034 7.591 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.241 2.165 9.239 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.224 0.543 9.903 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -4.292 1.982 10.612 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.833 0.451 9.894 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.734 1.394 9.489 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.499 2.456 8.097 1.00 0.00 H new ATOM 1107 N ALA A 80 -8.175 0.318 7.326 1.00 0.00 N ATOM 1108 CA ALA A 80 -9.416 -0.433 7.187 1.00 0.00 C ATOM 1109 C ALA A 80 -9.488 -1.127 5.831 1.00 0.00 C ATOM 1110 O ALA A 80 -9.983 -2.249 5.723 1.00 0.00 O ATOM 1111 CB ALA A 80 -10.614 0.486 7.376 1.00 0.00 C ATOM 0 H ALA A 80 -8.260 1.314 7.121 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.436 -1.201 7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.534 -0.089 7.269 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.578 0.931 8.370 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.590 1.275 6.624 1.00 0.00 H new ATOM 1117 N ALA A 81 -8.992 -0.453 4.799 1.00 0.00 N ATOM 1118 CA ALA A 81 -9.000 -1.006 3.450 1.00 0.00 C ATOM 1119 C ALA A 81 -7.995 -2.146 3.319 1.00 0.00 C ATOM 1120 O ALA A 81 -8.296 -3.188 2.737 1.00 0.00 O ATOM 1121 CB ALA A 81 -8.701 0.084 2.431 1.00 0.00 C ATOM 0 H ALA A 81 -8.579 0.477 4.871 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.994 -1.408 3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.710 -0.343 1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.459 0.864 2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.720 0.512 2.634 1.00 0.00 H new ATOM 1127 N VAL A 82 -6.800 -1.940 3.863 1.00 0.00 N ATOM 1128 CA VAL A 82 -5.750 -2.951 3.807 1.00 0.00 C ATOM 1129 C VAL A 82 -6.169 -4.219 4.543 1.00 0.00 C ATOM 1130 O VAL A 82 -5.596 -5.288 4.333 1.00 0.00 O ATOM 1131 CB VAL A 82 -4.435 -2.429 4.415 1.00 0.00 C ATOM 1132 CG1 VAL A 82 -4.577 -2.245 5.918 1.00 0.00 C ATOM 1133 CG2 VAL A 82 -3.287 -3.373 4.091 1.00 0.00 C ATOM 0 H VAL A 82 -6.535 -1.083 4.347 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.588 -3.182 2.754 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.212 -1.457 3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.638 -1.876 6.330 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.371 -1.527 6.123 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.825 -3.201 6.380 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.365 -2.989 4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.500 -4.360 4.502 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.172 -3.448 3.010 1.00 0.00 H new ATOM 1143 N ARG A 83 -7.172 -4.093 5.405 1.00 0.00 N ATOM 1144 CA ARG A 83 -7.667 -5.229 6.173 1.00 0.00 C ATOM 1145 C ARG A 83 -8.573 -6.110 5.317 1.00 0.00 C ATOM 1146 O ARG A 83 -8.539 -7.335 5.421 1.00 0.00 O ATOM 1147 CB ARG A 83 -8.429 -4.744 7.408 1.00 0.00 C ATOM 1148 CG ARG A 83 -7.547 -4.553 8.631 1.00 0.00 C ATOM 1149 CD ARG A 83 -8.339 -4.716 9.919 1.00 0.00 C ATOM 1150 NE ARG A 83 -8.481 -6.118 10.301 1.00 0.00 N ATOM 1151 CZ ARG A 83 -8.855 -6.516 11.512 1.00 0.00 C ATOM 1152 NH1 ARG A 83 -9.123 -5.622 12.454 1.00 0.00 N ATOM 1153 NH2 ARG A 83 -8.962 -7.811 11.782 1.00 0.00 N ATOM 0 H ARG A 83 -7.658 -3.215 5.589 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.809 -5.821 6.493 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.920 -3.800 7.174 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.214 -5.462 7.645 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.732 -5.276 8.610 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.095 -3.562 8.604 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.842 -4.170 10.721 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.327 -4.272 9.796 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.282 -6.831 9.599 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.042 -4.626 12.250 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.410 -5.930 13.383 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.757 -8.501 11.060 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.249 -8.116 12.712 1.00 0.00 H new ATOM 1167 N GLU A 84 -9.381 -5.476 4.474 1.00 0.00 N ATOM 1168 CA GLU A 84 -10.297 -6.203 3.602 1.00 0.00 C ATOM 1169 C GLU A 84 -9.564 -7.304 2.840 1.00 0.00 C ATOM 1170 O GLU A 84 -9.978 -8.463 2.849 1.00 0.00 O ATOM 1171 CB GLU A 84 -10.966 -5.244 2.615 1.00 0.00 C ATOM 1172 CG GLU A 84 -12.074 -4.408 3.235 1.00 0.00 C ATOM 1173 CD GLU A 84 -12.836 -3.596 2.207 1.00 0.00 C ATOM 1174 OE1 GLU A 84 -12.184 -2.945 1.363 1.00 0.00 O ATOM 1175 OE2 GLU A 84 -14.084 -3.610 2.245 1.00 0.00 O ATOM 0 H GLU A 84 -9.420 -4.461 4.376 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.063 -6.664 4.226 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.210 -4.579 2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.377 -5.819 1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.768 -5.064 3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.645 -3.736 3.978 1.00 0.00 H new ATOM 1182 N THR A 85 -8.471 -6.932 2.181 1.00 0.00 N ATOM 1183 CA THR A 85 -7.681 -7.886 1.412 1.00 0.00 C ATOM 1184 C THR A 85 -7.579 -9.224 2.135 1.00 0.00 C ATOM 1185 O THR A 85 -7.592 -10.283 1.508 1.00 0.00 O ATOM 1186 CB THR A 85 -6.261 -7.351 1.144 1.00 0.00 C ATOM 1187 OG1 THR A 85 -5.677 -6.879 2.362 1.00 0.00 O ATOM 1188 CG2 THR A 85 -6.291 -6.226 0.120 1.00 0.00 C ATOM 0 H THR A 85 -8.113 -5.977 2.164 1.00 0.00 H new ATOM 0 HA THR A 85 -8.194 -8.028 0.461 1.00 0.00 H new ATOM 0 HB THR A 85 -5.658 -8.167 0.746 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.157 -6.081 2.667 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.277 -5.864 -0.053 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.709 -6.597 -0.816 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.909 -5.410 0.494 1.00 0.00 H new ATOM 1196 N LYS A 86 -7.479 -9.170 3.459 1.00 0.00 N ATOM 1197 CA LYS A 86 -7.377 -10.378 4.269 1.00 0.00 C ATOM 1198 C LYS A 86 -8.206 -11.508 3.667 1.00 0.00 C ATOM 1199 O LYS A 86 -7.674 -12.560 3.312 1.00 0.00 O ATOM 1200 CB LYS A 86 -7.840 -10.098 5.700 1.00 0.00 C ATOM 1201 CG LYS A 86 -7.476 -11.197 6.684 1.00 0.00 C ATOM 1202 CD LYS A 86 -8.189 -11.014 8.013 1.00 0.00 C ATOM 1203 CE LYS A 86 -7.750 -12.058 9.029 1.00 0.00 C ATOM 1204 NZ LYS A 86 -8.233 -11.734 10.400 1.00 0.00 N ATOM 0 H LYS A 86 -7.466 -8.302 3.994 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.332 -10.687 4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.401 -9.159 6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.922 -9.963 5.703 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.737 -12.167 6.261 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.398 -11.200 6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.984 -10.017 8.403 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.266 -11.082 7.862 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.129 -13.036 8.732 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.662 -12.126 9.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.913 -12.469 11.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.851 -10.812 10.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.272 -11.694 10.402 1.00 0.00 H new ATOM 1218 N SER A 87 -9.511 -11.283 3.554 1.00 0.00 N ATOM 1219 CA SER A 87 -10.414 -12.284 2.997 1.00 0.00 C ATOM 1220 C SER A 87 -10.013 -12.642 1.570 1.00 0.00 C ATOM 1221 O SER A 87 -10.141 -13.792 1.149 1.00 0.00 O ATOM 1222 CB SER A 87 -11.855 -11.770 3.021 1.00 0.00 C ATOM 1223 OG SER A 87 -12.775 -12.822 2.781 1.00 0.00 O ATOM 0 H SER A 87 -9.967 -10.417 3.841 1.00 0.00 H new ATOM 0 HA SER A 87 -10.346 -13.182 3.611 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.065 -11.312 3.988 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.980 -10.994 2.266 1.00 0.00 H new ATOM 0 HG SER A 87 -13.689 -12.469 2.803 1.00 0.00 H new ATOM 1229 N GLN A 88 -9.528 -11.650 0.831 1.00 0.00 N ATOM 1230 CA GLN A 88 -9.109 -11.860 -0.550 1.00 0.00 C ATOM 1231 C GLN A 88 -7.798 -12.637 -0.608 1.00 0.00 C ATOM 1232 O GLN A 88 -6.936 -12.488 0.259 1.00 0.00 O ATOM 1233 CB GLN A 88 -8.953 -10.518 -1.268 1.00 0.00 C ATOM 1234 CG GLN A 88 -10.222 -10.048 -1.960 1.00 0.00 C ATOM 1235 CD GLN A 88 -10.341 -10.569 -3.378 1.00 0.00 C ATOM 1236 OE1 GLN A 88 -11.094 -11.506 -3.646 1.00 0.00 O ATOM 1237 NE2 GLN A 88 -9.597 -9.964 -4.296 1.00 0.00 N ATOM 0 H GLN A 88 -9.415 -10.693 1.165 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.880 -12.445 -1.052 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.642 -9.763 -0.546 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -8.156 -10.601 -2.006 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.088 -10.374 -1.383 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.241 -8.958 -1.975 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.987 -9.191 -4.030 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.636 -10.272 -5.268 1.00 0.00 H new ATOM 1246 N THR A 89 -7.653 -13.467 -1.637 1.00 0.00 N ATOM 1247 CA THR A 89 -6.447 -14.268 -1.808 1.00 0.00 C ATOM 1248 C THR A 89 -5.452 -13.574 -2.731 1.00 0.00 C ATOM 1249 O THR A 89 -4.417 -14.141 -3.080 1.00 0.00 O ATOM 1250 CB THR A 89 -6.775 -15.661 -2.379 1.00 0.00 C ATOM 1251 OG1 THR A 89 -7.628 -15.533 -3.522 1.00 0.00 O ATOM 1252 CG2 THR A 89 -7.452 -16.530 -1.330 1.00 0.00 C ATOM 0 H THR A 89 -8.356 -13.602 -2.364 1.00 0.00 H new ATOM 0 HA THR A 89 -6.001 -14.384 -0.820 1.00 0.00 H new ATOM 0 HB THR A 89 -5.840 -16.138 -2.675 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.831 -16.422 -3.880 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.674 -17.508 -1.756 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.789 -16.649 -0.473 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.379 -16.056 -1.008 1.00 0.00 H new ATOM 1260 N SER A 90 -5.772 -12.345 -3.121 1.00 0.00 N ATOM 1261 CA SER A 90 -4.906 -11.574 -4.006 1.00 0.00 C ATOM 1262 C SER A 90 -4.745 -10.145 -3.499 1.00 0.00 C ATOM 1263 O SER A 90 -5.706 -9.520 -3.050 1.00 0.00 O ATOM 1264 CB SER A 90 -5.475 -11.562 -5.427 1.00 0.00 C ATOM 1265 OG SER A 90 -6.707 -10.863 -5.476 1.00 0.00 O ATOM 0 H SER A 90 -6.624 -11.861 -2.838 1.00 0.00 H new ATOM 0 HA SER A 90 -3.925 -12.049 -4.018 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.761 -11.094 -6.104 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.620 -12.585 -5.773 1.00 0.00 H new ATOM 0 HG SER A 90 -7.050 -10.868 -6.394 1.00 0.00 H new ATOM 1271 N VAL A 91 -3.520 -9.632 -3.573 1.00 0.00 N ATOM 1272 CA VAL A 91 -3.231 -8.276 -3.122 1.00 0.00 C ATOM 1273 C VAL A 91 -2.454 -7.500 -4.180 1.00 0.00 C ATOM 1274 O VAL A 91 -1.342 -7.877 -4.552 1.00 0.00 O ATOM 1275 CB VAL A 91 -2.425 -8.281 -1.810 1.00 0.00 C ATOM 1276 CG1 VAL A 91 -2.232 -6.862 -1.297 1.00 0.00 C ATOM 1277 CG2 VAL A 91 -3.115 -9.145 -0.765 1.00 0.00 C ATOM 0 H VAL A 91 -2.713 -10.135 -3.941 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.190 -7.788 -2.948 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.442 -8.707 -2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.660 -6.885 -0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.692 -6.276 -2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.205 -6.406 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.532 -9.137 0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.112 -8.750 -0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.197 -10.167 -1.134 1.00 0.00 H new ATOM 1287 N THR A 92 -3.046 -6.411 -4.662 1.00 0.00 N ATOM 1288 CA THR A 92 -2.411 -5.581 -5.677 1.00 0.00 C ATOM 1289 C THR A 92 -1.938 -4.257 -5.088 1.00 0.00 C ATOM 1290 O THR A 92 -2.732 -3.337 -4.887 1.00 0.00 O ATOM 1291 CB THR A 92 -3.368 -5.296 -6.850 1.00 0.00 C ATOM 1292 OG1 THR A 92 -3.803 -6.527 -7.438 1.00 0.00 O ATOM 1293 CG2 THR A 92 -2.690 -4.435 -7.905 1.00 0.00 C ATOM 0 H THR A 92 -3.965 -6.084 -4.365 1.00 0.00 H new ATOM 0 HA THR A 92 -1.551 -6.138 -6.048 1.00 0.00 H new ATOM 0 HB THR A 92 -4.231 -4.755 -6.462 1.00 0.00 H new ATOM 0 HG1 THR A 92 -4.412 -6.337 -8.182 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.385 -4.247 -8.723 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.387 -3.487 -7.461 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.811 -4.953 -8.288 1.00 0.00 H new ATOM 1301 N LEU A 93 -0.641 -4.167 -4.814 1.00 0.00 N ATOM 1302 CA LEU A 93 -0.062 -2.953 -4.248 1.00 0.00 C ATOM 1303 C LEU A 93 0.390 -2.000 -5.351 1.00 0.00 C ATOM 1304 O LEU A 93 0.938 -2.427 -6.367 1.00 0.00 O ATOM 1305 CB LEU A 93 1.121 -3.303 -3.344 1.00 0.00 C ATOM 1306 CG LEU A 93 0.774 -3.976 -2.015 1.00 0.00 C ATOM 1307 CD1 LEU A 93 2.040 -4.335 -1.253 1.00 0.00 C ATOM 1308 CD2 LEU A 93 -0.118 -3.072 -1.177 1.00 0.00 C ATOM 0 H LEU A 93 0.029 -4.919 -4.974 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.830 -2.455 -3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.793 -3.960 -3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.673 -2.388 -3.132 1.00 0.00 H new ATOM 0 HG LEU A 93 0.229 -4.896 -2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.774 -4.813 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.642 -5.020 -1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.613 -3.430 -1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.355 -3.567 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.401 -2.135 -0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.040 -2.866 -1.720 1.00 0.00 H new ATOM 1320 N SER A 94 0.159 -0.708 -5.140 1.00 0.00 N ATOM 1321 CA SER A 94 0.541 0.305 -6.117 1.00 0.00 C ATOM 1322 C SER A 94 1.443 1.359 -5.481 1.00 0.00 C ATOM 1323 O SER A 94 1.147 1.877 -4.404 1.00 0.00 O ATOM 1324 CB SER A 94 -0.704 0.971 -6.706 1.00 0.00 C ATOM 1325 OG SER A 94 -1.530 1.502 -5.684 1.00 0.00 O ATOM 0 H SER A 94 -0.290 -0.338 -4.302 1.00 0.00 H new ATOM 0 HA SER A 94 1.094 -0.187 -6.917 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.406 1.768 -7.388 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.267 0.244 -7.292 1.00 0.00 H new ATOM 0 HG SER A 94 -1.908 0.769 -5.155 1.00 0.00 H new ATOM 1331 N ILE A 95 2.545 1.670 -6.156 1.00 0.00 N ATOM 1332 CA ILE A 95 3.490 2.663 -5.659 1.00 0.00 C ATOM 1333 C ILE A 95 4.015 3.537 -6.792 1.00 0.00 C ATOM 1334 O ILE A 95 3.837 3.222 -7.968 1.00 0.00 O ATOM 1335 CB ILE A 95 4.681 1.997 -4.944 1.00 0.00 C ATOM 1336 CG1 ILE A 95 5.582 1.290 -5.959 1.00 0.00 C ATOM 1337 CG2 ILE A 95 4.186 1.015 -3.893 1.00 0.00 C ATOM 1338 CD1 ILE A 95 6.680 2.174 -6.510 1.00 0.00 C ATOM 0 H ILE A 95 2.805 1.249 -7.048 1.00 0.00 H new ATOM 0 HA ILE A 95 2.950 3.285 -4.945 1.00 0.00 H new ATOM 0 HB ILE A 95 5.265 2.770 -4.444 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.032 0.417 -5.487 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.970 0.926 -6.785 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.039 0.553 -3.397 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.581 1.544 -3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.583 0.243 -4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.280 1.608 -7.223 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.237 3.035 -7.011 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.315 2.517 -5.693 1.00 0.00 H new ATOM 1350 N VAL A 96 4.666 4.639 -6.429 1.00 0.00 N ATOM 1351 CA VAL A 96 5.220 5.558 -7.415 1.00 0.00 C ATOM 1352 C VAL A 96 6.607 5.111 -7.865 1.00 0.00 C ATOM 1353 O VAL A 96 7.532 5.013 -7.058 1.00 0.00 O ATOM 1354 CB VAL A 96 5.312 6.991 -6.857 1.00 0.00 C ATOM 1355 CG1 VAL A 96 5.688 7.970 -7.958 1.00 0.00 C ATOM 1356 CG2 VAL A 96 3.998 7.392 -6.202 1.00 0.00 C ATOM 0 H VAL A 96 4.822 4.916 -5.460 1.00 0.00 H new ATOM 0 HA VAL A 96 4.543 5.551 -8.269 1.00 0.00 H new ATOM 0 HB VAL A 96 6.094 7.017 -6.098 1.00 0.00 H new ATOM 0 HG11 VAL A 96 5.748 8.977 -7.545 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.655 7.692 -8.378 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.931 7.944 -8.742 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.080 8.407 -5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.196 7.350 -6.939 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.775 6.707 -5.384 1.00 0.00 H new