USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 636 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 57 GLN : amide:sc= -2.22! C(o=-2.3!,f=-12!) USER MOD Set 1.2: A 62 CYS SG : rot 140:sc= -0.0594 USER MOD Set 2.1: A 54 SER OG : rot 135:sc= 0.0526 USER MOD Set 2.2: A 65 GLN : amide:sc= 0.0476 X(o=0.1,f=-0.0012) USER MOD Set 3.1: A 42 LYS NZ :NH3+ 132:sc= -2.15 (180deg=-3.59!) USER MOD Set 3.2: A 77 TYR OH : rot 133:sc= -1.38 USER MOD Set 4.1: A 9 SER OG : rot 31:sc= -0.361 USER MOD Set 4.2: A 81 CYS SG : rot -109:sc= -0.354 USER MOD Single : A 10 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0113) USER MOD Single : A 17 ASN : amide:sc= -0.888 X(o=-0.89,f=-1.2) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 171:sc= -0.736 USER MOD Single : A 33 SER OG : rot 26:sc= 0.845! USER MOD Single : A 34 LYS NZ :NH3+ -152:sc= 0.152 (180deg=-0.056) USER MOD Single : A 44 HIS : no HE2:sc= 0.00805 X(o=0.008,f=-0.32) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -2.48! C(o=-2.5!,f=-3.4!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.0809 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 109:sc= 0.32 USER MOD Single : A 83 GLN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 86 THR OG1 : rot -100:sc= -0.0776 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 9 -1.757 20.880 -0.353 1.00 0.00 N ATOM 81 CA SER A 9 -1.007 19.722 0.121 1.00 0.00 C ATOM 82 C SER A 9 -0.405 18.949 -1.048 1.00 0.00 C ATOM 83 O SER A 9 -1.120 18.498 -1.944 1.00 0.00 O ATOM 84 CB SER A 9 -1.913 18.803 0.942 1.00 0.00 C ATOM 85 OG SER A 9 -3.026 18.368 0.179 1.00 0.00 O ATOM 0 HA SER A 9 -0.195 20.080 0.754 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.344 17.939 1.286 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.261 19.330 1.831 1.00 0.00 H new ATOM 0 HG SER A 9 -2.770 18.303 -0.765 1.00 0.00 H new ATOM 91 N LYS A 10 0.915 18.800 -1.034 1.00 0.00 N ATOM 92 CA LYS A 10 1.616 18.082 -2.091 1.00 0.00 C ATOM 93 C LYS A 10 2.378 16.887 -1.524 1.00 0.00 C ATOM 94 O LYS A 10 3.260 17.045 -0.680 1.00 0.00 O ATOM 95 CB LYS A 10 2.583 19.018 -2.818 1.00 0.00 C ATOM 96 CG LYS A 10 1.899 19.962 -3.792 1.00 0.00 C ATOM 97 CD LYS A 10 1.495 21.262 -3.118 1.00 0.00 C ATOM 98 CE LYS A 10 2.670 22.220 -3.004 1.00 0.00 C ATOM 99 NZ LYS A 10 2.968 22.890 -4.300 1.00 0.00 N ATOM 0 H LYS A 10 1.522 19.168 -0.301 1.00 0.00 H new ATOM 0 HA LYS A 10 0.874 17.715 -2.800 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.131 19.605 -2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.317 18.420 -3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.569 20.176 -4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.016 19.478 -4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.694 21.734 -3.686 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.099 21.050 -2.125 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.452 22.974 -2.247 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.551 21.675 -2.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.707 23.608 -4.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.299 22.184 -4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.106 23.347 -4.661 1.00 0.00 H new ATOM 113 N PHE A 11 2.032 15.694 -1.995 1.00 0.00 N ATOM 114 CA PHE A 11 2.684 14.473 -1.535 1.00 0.00 C ATOM 115 C PHE A 11 4.202 14.625 -1.558 1.00 0.00 C ATOM 116 O PHE A 11 4.775 15.083 -2.547 1.00 0.00 O ATOM 117 CB PHE A 11 2.266 13.287 -2.407 1.00 0.00 C ATOM 118 CG PHE A 11 0.863 12.817 -2.147 1.00 0.00 C ATOM 119 CD1 PHE A 11 0.524 12.246 -0.931 1.00 0.00 C ATOM 120 CD2 PHE A 11 -0.116 12.946 -3.119 1.00 0.00 C ATOM 121 CE1 PHE A 11 -0.766 11.813 -0.688 1.00 0.00 C ATOM 122 CE2 PHE A 11 -1.408 12.515 -2.882 1.00 0.00 C ATOM 123 CZ PHE A 11 -1.733 11.947 -1.666 1.00 0.00 C ATOM 0 H PHE A 11 1.304 15.546 -2.694 1.00 0.00 H new ATOM 0 HA PHE A 11 2.370 14.288 -0.508 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.358 13.567 -3.456 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.955 12.460 -2.236 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.277 12.138 -0.164 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.133 13.388 -4.072 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.018 11.371 0.265 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.163 12.622 -3.647 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.741 11.608 -1.480 1.00 0.00 H new ATOM 133 N ILE A 12 4.846 14.238 -0.462 1.00 0.00 N ATOM 134 CA ILE A 12 6.297 14.331 -0.357 1.00 0.00 C ATOM 135 C ILE A 12 6.963 13.025 -0.776 1.00 0.00 C ATOM 136 O ILE A 12 7.686 12.977 -1.771 1.00 0.00 O ATOM 137 CB ILE A 12 6.735 14.681 1.078 1.00 0.00 C ATOM 138 CG1 ILE A 12 5.663 15.523 1.771 1.00 0.00 C ATOM 139 CG2 ILE A 12 8.066 15.418 1.060 1.00 0.00 C ATOM 140 CD1 ILE A 12 5.361 16.823 1.059 1.00 0.00 C ATOM 0 H ILE A 12 4.386 13.857 0.365 1.00 0.00 H new ATOM 0 HA ILE A 12 6.613 15.129 -1.030 1.00 0.00 H new ATOM 0 HB ILE A 12 6.862 13.755 1.640 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.746 14.938 1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.986 15.742 2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.362 15.659 2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.826 14.786 0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.964 16.339 0.485 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.592 17.368 1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.266 17.428 1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.007 16.612 0.050 1.00 0.00 H new ATOM 152 N GLU A 13 6.713 11.967 -0.010 1.00 0.00 N ATOM 153 CA GLU A 13 7.289 10.660 -0.303 1.00 0.00 C ATOM 154 C GLU A 13 6.527 9.971 -1.432 1.00 0.00 C ATOM 155 O GLU A 13 7.126 9.369 -2.323 1.00 0.00 O ATOM 156 CB GLU A 13 7.274 9.779 0.948 1.00 0.00 C ATOM 157 CG GLU A 13 8.499 9.956 1.831 1.00 0.00 C ATOM 158 CD GLU A 13 9.768 9.446 1.177 1.00 0.00 C ATOM 159 OE1 GLU A 13 10.017 8.224 1.240 1.00 0.00 O ATOM 160 OE2 GLU A 13 10.512 10.268 0.602 1.00 0.00 O ATOM 0 H GLU A 13 6.116 11.990 0.817 1.00 0.00 H new ATOM 0 HA GLU A 13 8.321 10.809 -0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.381 10.005 1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.202 8.734 0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.618 11.012 2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.343 9.429 2.772 1.00 0.00 H new ATOM 167 N GLY A 14 5.201 10.063 -1.386 1.00 0.00 N ATOM 168 CA GLY A 14 4.379 9.444 -2.409 1.00 0.00 C ATOM 169 C GLY A 14 4.269 7.942 -2.234 1.00 0.00 C ATOM 170 O GLY A 14 5.222 7.288 -1.810 1.00 0.00 O ATOM 0 H GLY A 14 4.682 10.555 -0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.382 9.884 -2.385 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.800 9.663 -3.390 1.00 0.00 H new ATOM 174 N LEU A 15 3.104 7.394 -2.560 1.00 0.00 N ATOM 175 CA LEU A 15 2.872 5.959 -2.436 1.00 0.00 C ATOM 176 C LEU A 15 3.810 5.175 -3.347 1.00 0.00 C ATOM 177 O LEU A 15 3.801 5.354 -4.565 1.00 0.00 O ATOM 178 CB LEU A 15 1.417 5.626 -2.774 1.00 0.00 C ATOM 179 CG LEU A 15 0.367 6.121 -1.778 1.00 0.00 C ATOM 180 CD1 LEU A 15 -1.031 5.963 -2.355 1.00 0.00 C ATOM 181 CD2 LEU A 15 0.489 5.372 -0.459 1.00 0.00 C ATOM 0 H LEU A 15 2.305 7.921 -2.912 1.00 0.00 H new ATOM 0 HA LEU A 15 3.074 5.671 -1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.187 6.046 -3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.324 4.544 -2.862 1.00 0.00 H new ATOM 0 HG LEU A 15 0.543 7.180 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.765 6.320 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.113 6.544 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.218 4.911 -2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.266 5.737 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.339 4.306 -0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.481 5.536 -0.038 1.00 0.00 H new ATOM 193 N ARG A 16 4.616 4.304 -2.750 1.00 0.00 N ATOM 194 CA ARG A 16 5.560 3.491 -3.508 1.00 0.00 C ATOM 195 C ARG A 16 5.045 2.063 -3.663 1.00 0.00 C ATOM 196 O ARG A 16 4.168 1.624 -2.920 1.00 0.00 O ATOM 197 CB ARG A 16 6.925 3.480 -2.819 1.00 0.00 C ATOM 198 CG ARG A 16 7.720 4.760 -3.021 1.00 0.00 C ATOM 199 CD ARG A 16 8.333 4.821 -4.411 1.00 0.00 C ATOM 200 NE ARG A 16 9.173 6.003 -4.587 1.00 0.00 N ATOM 201 CZ ARG A 16 9.618 6.419 -5.767 1.00 0.00 C ATOM 202 NH1 ARG A 16 9.305 5.753 -6.870 1.00 0.00 N ATOM 203 NH2 ARG A 16 10.377 7.504 -5.846 1.00 0.00 N ATOM 0 H ARG A 16 4.635 4.143 -1.743 1.00 0.00 H new ATOM 0 HA ARG A 16 5.665 3.931 -4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.782 3.316 -1.751 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.506 2.638 -3.196 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.069 5.621 -2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.509 4.822 -2.271 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.928 3.924 -4.585 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.539 4.826 -5.158 1.00 0.00 H new ATOM 0 HE ARG A 16 9.432 6.538 -3.758 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.721 4.919 -6.814 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.648 6.075 -7.775 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.619 8.020 -5.000 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.718 7.823 -6.753 1.00 0.00 H new ATOM 217 N ASN A 17 5.595 1.343 -4.636 1.00 0.00 N ATOM 218 CA ASN A 17 5.191 -0.035 -4.889 1.00 0.00 C ATOM 219 C ASN A 17 5.426 -0.906 -3.659 1.00 0.00 C ATOM 220 O ASN A 17 6.567 -1.172 -3.285 1.00 0.00 O ATOM 221 CB ASN A 17 5.960 -0.602 -6.085 1.00 0.00 C ATOM 222 CG ASN A 17 7.410 -0.894 -5.753 1.00 0.00 C ATOM 223 OD1 ASN A 17 8.214 0.021 -5.571 1.00 0.00 O ATOM 224 ND2 ASN A 17 7.753 -2.174 -5.672 1.00 0.00 N ATOM 0 H ASN A 17 6.321 1.691 -5.262 1.00 0.00 H new ATOM 0 HA ASN A 17 4.125 -0.039 -5.116 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.476 -1.518 -6.424 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.915 0.107 -6.912 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.715 -2.431 -5.451 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.054 -2.900 -5.830 1.00 0.00 H new ATOM 231 N GLU A 18 4.337 -1.347 -3.036 1.00 0.00 N ATOM 232 CA GLU A 18 4.426 -2.188 -1.849 1.00 0.00 C ATOM 233 C GLU A 18 4.007 -3.621 -2.164 1.00 0.00 C ATOM 234 O GLU A 18 2.913 -3.861 -2.673 1.00 0.00 O ATOM 235 CB GLU A 18 3.548 -1.623 -0.730 1.00 0.00 C ATOM 236 CG GLU A 18 3.501 -2.501 0.509 1.00 0.00 C ATOM 237 CD GLU A 18 4.830 -2.552 1.238 1.00 0.00 C ATOM 238 OE1 GLU A 18 5.122 -1.614 2.008 1.00 0.00 O ATOM 239 OE2 GLU A 18 5.579 -3.532 1.037 1.00 0.00 O ATOM 0 H GLU A 18 3.385 -1.136 -3.334 1.00 0.00 H new ATOM 0 HA GLU A 18 5.465 -2.196 -1.518 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.919 -0.636 -0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.535 -1.488 -1.108 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.733 -2.127 1.186 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.209 -3.511 0.223 1.00 0.00 H new ATOM 246 N GLU A 19 4.887 -4.570 -1.859 1.00 0.00 N ATOM 247 CA GLU A 19 4.609 -5.979 -2.111 1.00 0.00 C ATOM 248 C GLU A 19 4.425 -6.740 -0.802 1.00 0.00 C ATOM 249 O GLU A 19 5.317 -6.762 0.046 1.00 0.00 O ATOM 250 CB GLU A 19 5.743 -6.607 -2.925 1.00 0.00 C ATOM 251 CG GLU A 19 5.642 -8.119 -3.042 1.00 0.00 C ATOM 252 CD GLU A 19 6.972 -8.768 -3.373 1.00 0.00 C ATOM 253 OE1 GLU A 19 7.533 -8.456 -4.444 1.00 0.00 O ATOM 254 OE2 GLU A 19 7.451 -9.588 -2.563 1.00 0.00 O ATOM 0 H GLU A 19 5.798 -4.389 -1.437 1.00 0.00 H new ATOM 0 HA GLU A 19 3.682 -6.044 -2.681 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.745 -6.173 -3.925 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.696 -6.349 -2.464 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.266 -8.528 -2.104 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.916 -8.372 -3.815 1.00 0.00 H new ATOM 261 N ALA A 20 3.262 -7.363 -0.645 1.00 0.00 N ATOM 262 CA ALA A 20 2.960 -8.126 0.560 1.00 0.00 C ATOM 263 C ALA A 20 2.448 -9.520 0.212 1.00 0.00 C ATOM 264 O ALA A 20 1.776 -9.712 -0.801 1.00 0.00 O ATOM 265 CB ALA A 20 1.942 -7.385 1.413 1.00 0.00 C ATOM 0 H ALA A 20 2.513 -7.354 -1.337 1.00 0.00 H new ATOM 0 HA ALA A 20 3.882 -8.238 1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.726 -7.967 2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.345 -6.414 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.024 -7.243 0.843 1.00 0.00 H new ATOM 271 N THR A 21 2.772 -10.492 1.059 1.00 0.00 N ATOM 272 CA THR A 21 2.346 -11.869 0.841 1.00 0.00 C ATOM 273 C THR A 21 0.854 -12.032 1.107 1.00 0.00 C ATOM 274 O THR A 21 0.347 -11.595 2.139 1.00 0.00 O ATOM 275 CB THR A 21 3.126 -12.847 1.740 1.00 0.00 C ATOM 276 OG1 THR A 21 4.518 -12.818 1.404 1.00 0.00 O ATOM 277 CG2 THR A 21 2.592 -14.264 1.589 1.00 0.00 C ATOM 0 H THR A 21 3.328 -10.351 1.902 1.00 0.00 H new ATOM 0 HA THR A 21 2.553 -12.102 -0.203 1.00 0.00 H new ATOM 0 HB THR A 21 2.996 -12.535 2.776 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.007 -13.441 1.981 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.158 -14.937 2.233 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.540 -14.289 1.874 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.695 -14.583 0.552 1.00 0.00 H new ATOM 285 N GLU A 22 0.156 -12.665 0.169 1.00 0.00 N ATOM 286 CA GLU A 22 -1.279 -12.885 0.303 1.00 0.00 C ATOM 287 C GLU A 22 -1.638 -13.271 1.735 1.00 0.00 C ATOM 288 O GLU A 22 -0.835 -13.872 2.448 1.00 0.00 O ATOM 289 CB GLU A 22 -1.742 -13.978 -0.663 1.00 0.00 C ATOM 290 CG GLU A 22 -3.176 -13.805 -1.134 1.00 0.00 C ATOM 291 CD GLU A 22 -4.186 -14.340 -0.137 1.00 0.00 C ATOM 292 OE1 GLU A 22 -4.444 -15.561 -0.150 1.00 0.00 O ATOM 293 OE2 GLU A 22 -4.718 -13.536 0.657 1.00 0.00 O ATOM 0 H GLU A 22 0.561 -13.034 -0.691 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.789 -11.953 0.057 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.082 -13.988 -1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.643 -14.948 -0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.371 -12.747 -1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.306 -14.317 -2.087 1.00 0.00 H new ATOM 300 N GLY A 23 -2.851 -12.919 2.150 1.00 0.00 N ATOM 301 CA GLY A 23 -3.296 -13.236 3.494 1.00 0.00 C ATOM 302 C GLY A 23 -2.848 -12.205 4.511 1.00 0.00 C ATOM 303 O GLY A 23 -3.603 -11.844 5.414 1.00 0.00 O ATOM 0 H GLY A 23 -3.533 -12.420 1.579 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.384 -13.305 3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.911 -14.215 3.780 1.00 0.00 H new ATOM 307 N ASP A 24 -1.615 -11.731 4.367 1.00 0.00 N ATOM 308 CA ASP A 24 -1.067 -10.736 5.280 1.00 0.00 C ATOM 309 C ASP A 24 -1.885 -9.449 5.237 1.00 0.00 C ATOM 310 O ASP A 24 -2.923 -9.381 4.577 1.00 0.00 O ATOM 311 CB ASP A 24 0.392 -10.439 4.929 1.00 0.00 C ATOM 312 CG ASP A 24 1.183 -9.934 6.120 1.00 0.00 C ATOM 313 OD1 ASP A 24 0.785 -10.231 7.266 1.00 0.00 O ATOM 314 OD2 ASP A 24 2.200 -9.243 5.906 1.00 0.00 O ATOM 0 H ASP A 24 -0.976 -12.020 3.626 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.114 -11.142 6.291 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.861 -11.344 4.542 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.427 -9.696 4.132 1.00 0.00 H new ATOM 319 N THR A 25 -1.412 -8.429 5.947 1.00 0.00 N ATOM 320 CA THR A 25 -2.101 -7.145 5.992 1.00 0.00 C ATOM 321 C THR A 25 -1.224 -6.031 5.431 1.00 0.00 C ATOM 322 O THR A 25 -0.295 -5.568 6.091 1.00 0.00 O ATOM 323 CB THR A 25 -2.517 -6.781 7.430 1.00 0.00 C ATOM 324 OG1 THR A 25 -3.332 -7.820 7.982 1.00 0.00 O ATOM 325 CG2 THR A 25 -3.278 -5.464 7.455 1.00 0.00 C ATOM 0 H THR A 25 -0.555 -8.467 6.498 1.00 0.00 H new ATOM 0 HA THR A 25 -2.996 -7.244 5.377 1.00 0.00 H new ATOM 0 HB THR A 25 -1.614 -6.672 8.030 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.591 -7.582 8.897 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.562 -5.227 8.480 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.644 -4.670 7.061 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.175 -5.550 6.841 1.00 0.00 H new ATOM 333 N ALA A 26 -1.527 -5.605 4.209 1.00 0.00 N ATOM 334 CA ALA A 26 -0.767 -4.543 3.561 1.00 0.00 C ATOM 335 C ALA A 26 -0.979 -3.208 4.266 1.00 0.00 C ATOM 336 O ALA A 26 -2.113 -2.787 4.496 1.00 0.00 O ATOM 337 CB ALA A 26 -1.158 -4.435 2.094 1.00 0.00 C ATOM 0 H ALA A 26 -2.293 -5.979 3.648 1.00 0.00 H new ATOM 0 HA ALA A 26 0.291 -4.795 3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.583 -3.638 1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.950 -5.380 1.591 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.222 -4.210 2.017 1.00 0.00 H new ATOM 343 N THR A 27 0.121 -2.544 4.609 1.00 0.00 N ATOM 344 CA THR A 27 0.056 -1.257 5.290 1.00 0.00 C ATOM 345 C THR A 27 0.855 -0.197 4.540 1.00 0.00 C ATOM 346 O THR A 27 2.060 -0.051 4.746 1.00 0.00 O ATOM 347 CB THR A 27 0.587 -1.358 6.732 1.00 0.00 C ATOM 348 OG1 THR A 27 -0.209 -2.281 7.484 1.00 0.00 O ATOM 349 CG2 THR A 27 0.569 0.004 7.411 1.00 0.00 C ATOM 0 H THR A 27 1.068 -2.877 4.426 1.00 0.00 H new ATOM 0 HA THR A 27 -0.994 -0.966 5.316 1.00 0.00 H new ATOM 0 HB THR A 27 1.616 -1.714 6.693 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.136 -2.341 8.399 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.948 -0.092 8.428 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.198 0.697 6.853 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.453 0.383 7.439 1.00 0.00 H new ATOM 357 N LEU A 28 0.176 0.542 3.669 1.00 0.00 N ATOM 358 CA LEU A 28 0.823 1.590 2.887 1.00 0.00 C ATOM 359 C LEU A 28 0.818 2.915 3.644 1.00 0.00 C ATOM 360 O LEU A 28 0.133 3.060 4.657 1.00 0.00 O ATOM 361 CB LEU A 28 0.119 1.757 1.540 1.00 0.00 C ATOM 362 CG LEU A 28 0.574 0.816 0.424 1.00 0.00 C ATOM 363 CD1 LEU A 28 -0.252 -0.460 0.432 1.00 0.00 C ATOM 364 CD2 LEU A 28 0.478 1.507 -0.929 1.00 0.00 C ATOM 0 H LEU A 28 -0.822 0.435 3.487 1.00 0.00 H new ATOM 0 HA LEU A 28 1.858 1.294 2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.951 1.617 1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.262 2.784 1.203 1.00 0.00 H new ATOM 0 HG LEU A 28 1.616 0.551 0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.086 -1.117 -0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.132 -0.965 1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.303 -0.214 0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.806 0.822 -1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.555 1.802 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.114 2.392 -0.931 1.00 0.00 H new ATOM 376 N TRP A 29 1.584 3.878 3.145 1.00 0.00 N ATOM 377 CA TRP A 29 1.666 5.192 3.773 1.00 0.00 C ATOM 378 C TRP A 29 2.248 6.220 2.810 1.00 0.00 C ATOM 379 O TRP A 29 2.798 5.865 1.767 1.00 0.00 O ATOM 380 CB TRP A 29 2.520 5.121 5.040 1.00 0.00 C ATOM 381 CG TRP A 29 3.985 4.968 4.762 1.00 0.00 C ATOM 382 CD1 TRP A 29 4.648 3.809 4.478 1.00 0.00 C ATOM 383 CD2 TRP A 29 4.967 6.010 4.743 1.00 0.00 C ATOM 384 NE1 TRP A 29 5.984 4.067 4.283 1.00 0.00 N ATOM 385 CE2 TRP A 29 6.205 5.409 4.439 1.00 0.00 C ATOM 386 CE3 TRP A 29 4.921 7.391 4.950 1.00 0.00 C ATOM 387 CZ2 TRP A 29 7.383 6.144 4.341 1.00 0.00 C ATOM 388 CZ3 TRP A 29 6.092 8.118 4.852 1.00 0.00 C ATOM 389 CH2 TRP A 29 7.310 7.494 4.549 1.00 0.00 C ATOM 0 H TRP A 29 2.157 3.774 2.308 1.00 0.00 H new ATOM 0 HA TRP A 29 0.656 5.504 4.040 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.362 6.025 5.627 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.184 4.282 5.650 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.190 2.833 4.416 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.695 3.371 4.058 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.987 7.881 5.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.323 5.665 4.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 6.068 9.186 5.012 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.208 8.090 4.478 1.00 0.00 H new ATOM 400 N CYS A 30 2.123 7.494 3.165 1.00 0.00 N ATOM 401 CA CYS A 30 2.636 8.575 2.331 1.00 0.00 C ATOM 402 C CYS A 30 2.705 9.881 3.114 1.00 0.00 C ATOM 403 O CYS A 30 1.726 10.296 3.734 1.00 0.00 O ATOM 404 CB CYS A 30 1.755 8.754 1.093 1.00 0.00 C ATOM 405 SG CYS A 30 0.004 9.010 1.465 1.00 0.00 S ATOM 0 H CYS A 30 1.671 7.804 4.025 1.00 0.00 H new ATOM 0 HA CYS A 30 3.645 8.309 2.015 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.122 9.605 0.519 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.856 7.874 0.458 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.627 9.342 0.378 1.00 0.00 H new ATOM 411 N GLU A 31 3.869 10.523 3.083 1.00 0.00 N ATOM 412 CA GLU A 31 4.065 11.782 3.793 1.00 0.00 C ATOM 413 C GLU A 31 3.326 12.921 3.096 1.00 0.00 C ATOM 414 O GLU A 31 3.079 12.870 1.891 1.00 0.00 O ATOM 415 CB GLU A 31 5.556 12.110 3.890 1.00 0.00 C ATOM 416 CG GLU A 31 5.909 12.991 5.077 1.00 0.00 C ATOM 417 CD GLU A 31 6.225 12.190 6.325 1.00 0.00 C ATOM 418 OE1 GLU A 31 5.354 11.413 6.768 1.00 0.00 O ATOM 419 OE2 GLU A 31 7.344 12.341 6.859 1.00 0.00 O ATOM 0 H GLU A 31 4.689 10.193 2.575 1.00 0.00 H new ATOM 0 HA GLU A 31 3.658 11.671 4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.120 11.180 3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.871 12.608 2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.768 13.612 4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.078 13.666 5.284 1.00 0.00 H new ATOM 426 N LEU A 32 2.976 13.947 3.863 1.00 0.00 N ATOM 427 CA LEU A 32 2.265 15.100 3.321 1.00 0.00 C ATOM 428 C LEU A 32 2.981 16.398 3.678 1.00 0.00 C ATOM 429 O LEU A 32 3.697 16.470 4.676 1.00 0.00 O ATOM 430 CB LEU A 32 0.830 15.133 3.850 1.00 0.00 C ATOM 431 CG LEU A 32 -0.183 15.893 2.994 1.00 0.00 C ATOM 432 CD1 LEU A 32 -0.133 15.410 1.553 1.00 0.00 C ATOM 433 CD2 LEU A 32 -1.586 15.736 3.562 1.00 0.00 C ATOM 0 H LEU A 32 3.173 14.005 4.862 1.00 0.00 H new ATOM 0 HA LEU A 32 2.243 15.006 2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.482 14.106 3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.841 15.578 4.845 1.00 0.00 H new ATOM 0 HG LEU A 32 0.078 16.951 3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.861 15.962 0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.866 15.575 1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.368 14.346 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.294 16.284 2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.857 14.680 3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.614 16.131 4.577 1.00 0.00 H new ATOM 445 N SER A 33 2.781 17.423 2.855 1.00 0.00 N ATOM 446 CA SER A 33 3.409 18.720 3.082 1.00 0.00 C ATOM 447 C SER A 33 2.504 19.623 3.914 1.00 0.00 C ATOM 448 O SER A 33 2.849 20.768 4.207 1.00 0.00 O ATOM 449 CB SER A 33 3.735 19.393 1.748 1.00 0.00 C ATOM 450 OG SER A 33 3.677 20.804 1.861 1.00 0.00 O ATOM 0 H SER A 33 2.189 17.380 2.025 1.00 0.00 H new ATOM 0 HA SER A 33 4.335 18.557 3.633 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.730 19.092 1.419 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.032 19.057 0.986 1.00 0.00 H new ATOM 0 HG SER A 33 3.849 21.065 2.790 1.00 0.00 H new ATOM 456 N LYS A 34 1.342 19.101 4.290 1.00 0.00 N ATOM 457 CA LYS A 34 0.385 19.858 5.089 1.00 0.00 C ATOM 458 C LYS A 34 -0.641 18.930 5.732 1.00 0.00 C ATOM 459 O LYS A 34 -1.434 18.292 5.041 1.00 0.00 O ATOM 460 CB LYS A 34 -0.326 20.898 4.220 1.00 0.00 C ATOM 461 CG LYS A 34 -1.530 21.533 4.894 1.00 0.00 C ATOM 462 CD LYS A 34 -1.116 22.648 5.839 1.00 0.00 C ATOM 463 CE LYS A 34 -0.883 22.127 7.248 1.00 0.00 C ATOM 464 NZ LYS A 34 -2.163 21.819 7.944 1.00 0.00 N ATOM 0 H LYS A 34 1.040 18.156 4.054 1.00 0.00 H new ATOM 0 HA LYS A 34 0.933 20.369 5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.384 21.680 3.951 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.647 20.425 3.292 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.206 21.929 4.136 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.082 20.773 5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.206 23.120 5.469 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.889 23.416 5.857 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.267 21.229 7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.327 22.868 7.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.036 21.930 8.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.903 22.471 7.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.445 20.840 7.734 1.00 0.00 H new ATOM 478 N ALA A 35 -0.620 18.862 7.059 1.00 0.00 N ATOM 479 CA ALA A 35 -1.551 18.015 7.795 1.00 0.00 C ATOM 480 C ALA A 35 -2.985 18.242 7.330 1.00 0.00 C ATOM 481 O ALA A 35 -3.710 19.058 7.898 1.00 0.00 O ATOM 482 CB ALA A 35 -1.431 18.274 9.290 1.00 0.00 C ATOM 0 H ALA A 35 0.031 19.383 7.646 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.293 16.975 7.596 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.132 17.635 9.827 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.415 18.054 9.617 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.660 19.319 9.498 1.00 0.00 H new ATOM 488 N ALA A 36 -3.388 17.515 6.293 1.00 0.00 N ATOM 489 CA ALA A 36 -4.736 17.636 5.752 1.00 0.00 C ATOM 490 C ALA A 36 -5.366 16.265 5.535 1.00 0.00 C ATOM 491 O ALA A 36 -4.679 15.268 5.311 1.00 0.00 O ATOM 492 CB ALA A 36 -4.713 18.422 4.449 1.00 0.00 C ATOM 0 H ALA A 36 -2.800 16.836 5.811 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.345 18.175 6.478 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.726 18.505 4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.312 19.419 4.633 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.084 17.906 3.724 1.00 0.00 H new ATOM 498 N PRO A 37 -6.704 16.210 5.602 1.00 0.00 N ATOM 499 CA PRO A 37 -7.456 14.966 5.415 1.00 0.00 C ATOM 500 C PRO A 37 -7.411 14.472 3.973 1.00 0.00 C ATOM 501 O PRO A 37 -7.874 15.152 3.058 1.00 0.00 O ATOM 502 CB PRO A 37 -8.885 15.353 5.803 1.00 0.00 C ATOM 503 CG PRO A 37 -8.958 16.821 5.562 1.00 0.00 C ATOM 504 CD PRO A 37 -7.587 17.359 5.865 1.00 0.00 C ATOM 0 HA PRO A 37 -7.045 14.149 6.008 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.618 14.816 5.201 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.091 15.112 6.846 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.242 17.034 4.531 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.709 17.285 6.201 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.340 18.210 5.230 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.508 17.699 6.898 1.00 0.00 H new ATOM 512 N VAL A 38 -6.849 13.283 3.777 1.00 0.00 N ATOM 513 CA VAL A 38 -6.744 12.697 2.446 1.00 0.00 C ATOM 514 C VAL A 38 -7.809 11.628 2.231 1.00 0.00 C ATOM 515 O VAL A 38 -8.653 11.396 3.096 1.00 0.00 O ATOM 516 CB VAL A 38 -5.354 12.075 2.214 1.00 0.00 C ATOM 517 CG1 VAL A 38 -4.259 13.041 2.641 1.00 0.00 C ATOM 518 CG2 VAL A 38 -5.230 10.754 2.959 1.00 0.00 C ATOM 0 H VAL A 38 -6.460 12.707 4.523 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.895 13.506 1.731 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.237 11.878 1.148 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.284 12.585 2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.337 13.959 2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.370 13.272 3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.242 10.329 2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.368 10.924 4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.992 10.061 2.601 1.00 0.00 H new ATOM 528 N GLU A 39 -7.762 10.978 1.072 1.00 0.00 N ATOM 529 CA GLU A 39 -8.724 9.933 0.744 1.00 0.00 C ATOM 530 C GLU A 39 -8.065 8.822 -0.068 1.00 0.00 C ATOM 531 O GLU A 39 -7.332 9.087 -1.021 1.00 0.00 O ATOM 532 CB GLU A 39 -9.902 10.520 -0.037 1.00 0.00 C ATOM 533 CG GLU A 39 -11.125 9.618 -0.062 1.00 0.00 C ATOM 534 CD GLU A 39 -12.006 9.795 1.159 1.00 0.00 C ATOM 535 OE1 GLU A 39 -12.622 10.872 1.296 1.00 0.00 O ATOM 536 OE2 GLU A 39 -12.079 8.855 1.978 1.00 0.00 O ATOM 0 H GLU A 39 -7.069 11.157 0.346 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.092 9.508 1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.177 11.479 0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.586 10.718 -1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.708 9.827 -0.959 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.804 8.578 -0.126 1.00 0.00 H new ATOM 543 N TRP A 40 -8.330 7.579 0.317 1.00 0.00 N ATOM 544 CA TRP A 40 -7.762 6.427 -0.375 1.00 0.00 C ATOM 545 C TRP A 40 -8.789 5.790 -1.306 1.00 0.00 C ATOM 546 O TRP A 40 -9.972 5.710 -0.977 1.00 0.00 O ATOM 547 CB TRP A 40 -7.263 5.394 0.636 1.00 0.00 C ATOM 548 CG TRP A 40 -6.168 5.910 1.521 1.00 0.00 C ATOM 549 CD1 TRP A 40 -6.279 6.867 2.489 1.00 0.00 C ATOM 550 CD2 TRP A 40 -4.797 5.498 1.516 1.00 0.00 C ATOM 551 NE1 TRP A 40 -5.059 7.074 3.087 1.00 0.00 N ATOM 552 CE2 TRP A 40 -4.134 6.247 2.508 1.00 0.00 C ATOM 553 CE3 TRP A 40 -4.065 4.569 0.772 1.00 0.00 C ATOM 554 CZ2 TRP A 40 -2.775 6.094 2.772 1.00 0.00 C ATOM 555 CZ3 TRP A 40 -2.717 4.419 1.035 1.00 0.00 C ATOM 556 CH2 TRP A 40 -2.083 5.177 2.028 1.00 0.00 C ATOM 0 H TRP A 40 -8.934 7.343 1.104 1.00 0.00 H new ATOM 0 HA TRP A 40 -6.921 6.774 -0.975 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -8.099 5.069 1.256 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.904 4.516 0.100 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.191 7.385 2.747 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.873 7.736 3.840 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.544 3.979 0.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.285 6.678 3.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.142 3.705 0.465 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -1.028 5.035 2.210 1.00 0.00 H new ATOM 567 N ARG A 41 -8.328 5.340 -2.468 1.00 0.00 N ATOM 568 CA ARG A 41 -9.207 4.711 -3.446 1.00 0.00 C ATOM 569 C ARG A 41 -8.604 3.407 -3.961 1.00 0.00 C ATOM 570 O ARG A 41 -7.403 3.326 -4.222 1.00 0.00 O ATOM 571 CB ARG A 41 -9.467 5.662 -4.616 1.00 0.00 C ATOM 572 CG ARG A 41 -10.355 6.842 -4.256 1.00 0.00 C ATOM 573 CD ARG A 41 -10.650 7.708 -5.471 1.00 0.00 C ATOM 574 NE ARG A 41 -11.382 8.920 -5.114 1.00 0.00 N ATOM 575 CZ ARG A 41 -11.907 9.751 -6.007 1.00 0.00 C ATOM 576 NH1 ARG A 41 -11.782 9.502 -7.303 1.00 0.00 N ATOM 577 NH2 ARG A 41 -12.559 10.835 -5.604 1.00 0.00 N ATOM 0 H ARG A 41 -7.351 5.399 -2.755 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.153 4.484 -2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.513 6.036 -4.988 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.930 5.105 -5.430 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.291 6.478 -3.831 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.869 7.444 -3.488 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.714 7.980 -5.958 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.230 7.134 -6.193 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.496 9.140 -4.125 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.282 8.670 -7.617 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.186 10.142 -7.987 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.657 11.030 -4.608 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.962 11.473 -6.291 1.00 0.00 H new ATOM 591 N LYS A 42 -9.444 2.388 -4.104 1.00 0.00 N ATOM 592 CA LYS A 42 -8.996 1.088 -4.588 1.00 0.00 C ATOM 593 C LYS A 42 -9.625 0.763 -5.939 1.00 0.00 C ATOM 594 O LYS A 42 -10.694 0.158 -6.007 1.00 0.00 O ATOM 595 CB LYS A 42 -9.345 -0.004 -3.575 1.00 0.00 C ATOM 596 CG LYS A 42 -9.096 -1.412 -4.088 1.00 0.00 C ATOM 597 CD LYS A 42 -9.834 -2.448 -3.256 1.00 0.00 C ATOM 598 CE LYS A 42 -9.141 -3.801 -3.307 1.00 0.00 C ATOM 599 NZ LYS A 42 -7.803 -3.763 -2.654 1.00 0.00 N ATOM 0 H LYS A 42 -10.440 2.438 -3.891 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.914 1.128 -4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.760 0.152 -2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.395 0.092 -3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.417 -1.483 -5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.027 -1.623 -4.069 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.896 -2.109 -2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.856 -2.548 -3.621 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.764 -4.547 -2.815 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.030 -4.113 -4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.711 -4.570 -2.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.061 -3.817 -3.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.702 -2.876 -2.121 1.00 0.00 H new ATOM 613 N GLY A 43 -8.954 1.169 -7.012 1.00 0.00 N ATOM 614 CA GLY A 43 -9.464 0.911 -8.347 1.00 0.00 C ATOM 615 C GLY A 43 -10.493 1.935 -8.783 1.00 0.00 C ATOM 616 O GLY A 43 -10.143 3.002 -9.287 1.00 0.00 O ATOM 0 H GLY A 43 -8.067 1.672 -6.982 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.635 0.909 -9.055 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.910 -0.083 -8.376 1.00 0.00 H new ATOM 620 N HIS A 44 -11.767 1.609 -8.590 1.00 0.00 N ATOM 621 CA HIS A 44 -12.851 2.509 -8.968 1.00 0.00 C ATOM 622 C HIS A 44 -13.812 2.723 -7.802 1.00 0.00 C ATOM 623 O HIS A 44 -15.029 2.706 -7.978 1.00 0.00 O ATOM 624 CB HIS A 44 -13.610 1.950 -10.172 1.00 0.00 C ATOM 625 CG HIS A 44 -14.249 3.006 -11.021 1.00 0.00 C ATOM 626 ND1 HIS A 44 -15.498 3.527 -10.760 1.00 0.00 N ATOM 627 CD2 HIS A 44 -13.803 3.639 -12.131 1.00 0.00 C ATOM 628 CE1 HIS A 44 -15.794 4.434 -11.673 1.00 0.00 C ATOM 629 NE2 HIS A 44 -14.781 4.522 -12.517 1.00 0.00 N ATOM 0 H HIS A 44 -12.074 0.729 -8.175 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.414 3.471 -9.237 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -12.923 1.369 -10.786 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -14.380 1.264 -9.819 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -16.100 3.255 -9.983 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -12.854 3.479 -12.622 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -16.708 5.007 -11.722 1.00 0.00 H new ATOM 638 N GLU A 45 -13.255 2.922 -6.611 1.00 0.00 N ATOM 639 CA GLU A 45 -14.063 3.138 -5.417 1.00 0.00 C ATOM 640 C GLU A 45 -13.227 3.754 -4.299 1.00 0.00 C ATOM 641 O GLU A 45 -11.996 3.729 -4.340 1.00 0.00 O ATOM 642 CB GLU A 45 -14.674 1.818 -4.943 1.00 0.00 C ATOM 643 CG GLU A 45 -15.994 1.987 -4.209 1.00 0.00 C ATOM 644 CD GLU A 45 -16.858 0.742 -4.267 1.00 0.00 C ATOM 645 OE1 GLU A 45 -17.268 0.357 -5.382 1.00 0.00 O ATOM 646 OE2 GLU A 45 -17.123 0.153 -3.199 1.00 0.00 O ATOM 0 H GLU A 45 -12.248 2.938 -6.448 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.865 3.831 -5.672 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.828 1.168 -5.805 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.965 1.314 -4.286 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.796 2.239 -3.167 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.541 2.825 -4.641 1.00 0.00 H new ATOM 653 N THR A 46 -13.905 4.309 -3.298 1.00 0.00 N ATOM 654 CA THR A 46 -13.227 4.933 -2.170 1.00 0.00 C ATOM 655 C THR A 46 -13.257 4.030 -0.942 1.00 0.00 C ATOM 656 O THR A 46 -14.328 3.653 -0.462 1.00 0.00 O ATOM 657 CB THR A 46 -13.864 6.289 -1.812 1.00 0.00 C ATOM 658 OG1 THR A 46 -13.930 7.122 -2.975 1.00 0.00 O ATOM 659 CG2 THR A 46 -13.066 6.992 -0.724 1.00 0.00 C ATOM 0 H THR A 46 -14.923 4.338 -3.247 1.00 0.00 H new ATOM 0 HA THR A 46 -12.193 5.095 -2.473 1.00 0.00 H new ATOM 0 HB THR A 46 -14.872 6.104 -1.440 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.338 7.981 -2.739 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.535 7.947 -0.488 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.042 6.369 0.170 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.048 7.164 -1.073 1.00 0.00 H new ATOM 667 N LEU A 47 -12.078 3.687 -0.436 1.00 0.00 N ATOM 668 CA LEU A 47 -11.970 2.829 0.738 1.00 0.00 C ATOM 669 C LEU A 47 -12.590 3.497 1.961 1.00 0.00 C ATOM 670 O LEU A 47 -12.811 4.708 1.973 1.00 0.00 O ATOM 671 CB LEU A 47 -10.503 2.493 1.015 1.00 0.00 C ATOM 672 CG LEU A 47 -9.769 1.731 -0.089 1.00 0.00 C ATOM 673 CD1 LEU A 47 -8.276 1.683 0.198 1.00 0.00 C ATOM 674 CD2 LEU A 47 -10.332 0.324 -0.231 1.00 0.00 C ATOM 0 H LEU A 47 -11.183 3.990 -0.820 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.516 1.908 0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.968 3.423 1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.453 1.904 1.931 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.921 2.258 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.770 1.137 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.882 2.698 0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.104 1.179 1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.798 -0.204 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.211 -0.213 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.391 0.380 -0.484 1.00 0.00 H new ATOM 686 N ARG A 48 -12.866 2.700 2.988 1.00 0.00 N ATOM 687 CA ARG A 48 -13.459 3.215 4.217 1.00 0.00 C ATOM 688 C ARG A 48 -12.974 2.424 5.428 1.00 0.00 C ATOM 689 O ARG A 48 -12.710 1.226 5.334 1.00 0.00 O ATOM 690 CB ARG A 48 -14.986 3.156 4.134 1.00 0.00 C ATOM 691 CG ARG A 48 -15.565 3.958 2.980 1.00 0.00 C ATOM 692 CD ARG A 48 -17.049 4.223 3.175 1.00 0.00 C ATOM 693 NE ARG A 48 -17.855 3.031 2.925 1.00 0.00 N ATOM 694 CZ ARG A 48 -19.120 2.904 3.313 1.00 0.00 C ATOM 695 NH1 ARG A 48 -19.718 3.891 3.965 1.00 0.00 N ATOM 696 NH2 ARG A 48 -19.787 1.789 3.048 1.00 0.00 N ATOM 0 H ARG A 48 -12.689 1.696 2.994 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.147 4.253 4.335 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.296 2.116 4.034 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.407 3.525 5.069 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.034 4.906 2.891 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.410 3.417 2.046 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.224 4.572 4.193 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.366 5.022 2.505 1.00 0.00 H new ATOM 0 HE ARG A 48 -17.424 2.253 2.425 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -19.207 4.750 4.170 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.689 3.792 4.262 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -19.329 1.028 2.546 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -20.758 1.692 3.346 1.00 0.00 H new ATOM 710 N ASP A 49 -12.858 3.104 6.563 1.00 0.00 N ATOM 711 CA ASP A 49 -12.404 2.465 7.794 1.00 0.00 C ATOM 712 C ASP A 49 -13.522 1.637 8.419 1.00 0.00 C ATOM 713 O ASP A 49 -14.543 2.174 8.846 1.00 0.00 O ATOM 714 CB ASP A 49 -11.915 3.518 8.789 1.00 0.00 C ATOM 715 CG ASP A 49 -12.959 4.581 9.069 1.00 0.00 C ATOM 716 OD1 ASP A 49 -13.868 4.319 9.884 1.00 0.00 O ATOM 717 OD2 ASP A 49 -12.866 5.674 8.473 1.00 0.00 O ATOM 0 H ASP A 49 -13.072 4.097 6.657 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.577 1.799 7.546 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.639 3.030 9.723 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.014 3.992 8.398 1.00 0.00 H new ATOM 765 N HIS A 53 -10.472 -2.647 6.630 1.00 0.00 N ATOM 766 CA HIS A 53 -9.714 -1.488 6.170 1.00 0.00 C ATOM 767 C HIS A 53 -9.557 -0.463 7.289 1.00 0.00 C ATOM 768 O HIS A 53 -10.439 -0.314 8.136 1.00 0.00 O ATOM 769 CB HIS A 53 -10.404 -0.846 4.967 1.00 0.00 C ATOM 770 CG HIS A 53 -10.096 -1.523 3.667 1.00 0.00 C ATOM 771 ND1 HIS A 53 -10.981 -2.366 3.030 1.00 0.00 N ATOM 772 CD2 HIS A 53 -8.993 -1.477 2.885 1.00 0.00 C ATOM 773 CE1 HIS A 53 -10.435 -2.811 1.912 1.00 0.00 C ATOM 774 NE2 HIS A 53 -9.228 -2.285 1.800 1.00 0.00 N ATOM 0 HA HIS A 53 -8.722 -1.828 5.871 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.482 -0.859 5.127 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.104 0.200 4.902 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -11.912 -2.609 3.369 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.094 -0.910 3.078 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.897 -3.489 1.209 1.00 0.00 H new ATOM 783 N SER A 54 -8.429 0.240 7.287 1.00 0.00 N ATOM 784 CA SER A 54 -8.155 1.248 8.305 1.00 0.00 C ATOM 785 C SER A 54 -7.538 2.496 7.680 1.00 0.00 C ATOM 786 O SER A 54 -6.380 2.488 7.261 1.00 0.00 O ATOM 787 CB SER A 54 -7.218 0.682 9.374 1.00 0.00 C ATOM 788 OG SER A 54 -7.755 -0.495 9.951 1.00 0.00 O ATOM 0 H SER A 54 -7.690 0.130 6.592 1.00 0.00 H new ATOM 0 HA SER A 54 -9.100 1.525 8.771 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.246 0.463 8.931 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.054 1.429 10.150 1.00 0.00 H new ATOM 0 HG SER A 54 -7.054 -1.177 10.014 1.00 0.00 H new ATOM 794 N LEU A 55 -8.320 3.569 7.623 1.00 0.00 N ATOM 795 CA LEU A 55 -7.852 4.827 7.050 1.00 0.00 C ATOM 796 C LEU A 55 -7.618 5.868 8.140 1.00 0.00 C ATOM 797 O LEU A 55 -8.566 6.430 8.689 1.00 0.00 O ATOM 798 CB LEU A 55 -8.866 5.355 6.033 1.00 0.00 C ATOM 799 CG LEU A 55 -9.126 4.462 4.820 1.00 0.00 C ATOM 800 CD1 LEU A 55 -10.267 3.497 5.102 1.00 0.00 C ATOM 801 CD2 LEU A 55 -9.432 5.307 3.592 1.00 0.00 C ATOM 0 H LEU A 55 -9.280 3.593 7.966 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.905 4.638 6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.813 5.521 6.547 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.522 6.326 5.677 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.226 3.880 4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.438 2.870 4.227 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.010 2.869 5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.173 4.060 5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.614 4.655 2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.317 5.915 3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.584 5.957 3.377 1.00 0.00 H new ATOM 813 N ARG A 56 -6.350 6.121 8.447 1.00 0.00 N ATOM 814 CA ARG A 56 -5.992 7.095 9.470 1.00 0.00 C ATOM 815 C ARG A 56 -4.742 7.873 9.067 1.00 0.00 C ATOM 816 O ARG A 56 -3.862 7.343 8.390 1.00 0.00 O ATOM 817 CB ARG A 56 -5.760 6.396 10.811 1.00 0.00 C ATOM 818 CG ARG A 56 -4.804 5.218 10.726 1.00 0.00 C ATOM 819 CD ARG A 56 -4.492 4.654 12.103 1.00 0.00 C ATOM 820 NE ARG A 56 -3.848 5.640 12.967 1.00 0.00 N ATOM 821 CZ ARG A 56 -3.357 5.356 14.168 1.00 0.00 C ATOM 822 NH1 ARG A 56 -3.435 4.122 14.645 1.00 0.00 N ATOM 823 NH2 ARG A 56 -2.785 6.309 14.894 1.00 0.00 N ATOM 0 H ARG A 56 -5.554 5.665 8.002 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.819 7.798 9.572 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.368 7.120 11.526 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.717 6.049 11.201 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.241 4.438 10.102 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.879 5.533 10.242 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.414 4.310 12.571 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.843 3.784 12.000 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.771 6.599 12.629 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.873 3.387 14.089 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.057 3.907 15.568 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.723 7.260 14.530 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.408 6.091 15.816 1.00 0.00 H new ATOM 837 N GLN A 57 -4.674 9.132 9.487 1.00 0.00 N ATOM 838 CA GLN A 57 -3.533 9.982 9.168 1.00 0.00 C ATOM 839 C GLN A 57 -3.283 10.997 10.279 1.00 0.00 C ATOM 840 O GLN A 57 -4.223 11.559 10.842 1.00 0.00 O ATOM 841 CB GLN A 57 -3.765 10.707 7.842 1.00 0.00 C ATOM 842 CG GLN A 57 -4.435 12.063 7.998 1.00 0.00 C ATOM 843 CD GLN A 57 -4.421 12.872 6.716 1.00 0.00 C ATOM 844 OE1 GLN A 57 -5.375 12.842 5.939 1.00 0.00 O ATOM 845 NE2 GLN A 57 -3.335 13.602 6.489 1.00 0.00 N ATOM 0 H GLN A 57 -5.395 9.586 10.048 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.653 9.346 9.077 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.808 10.840 7.338 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.380 10.079 7.197 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.466 11.919 8.321 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.930 12.625 8.783 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.567 13.597 7.161 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.268 14.168 5.643 1.00 0.00 H new ATOM 854 N ASP A 58 -2.012 11.227 10.589 1.00 0.00 N ATOM 855 CA ASP A 58 -1.639 12.175 11.632 1.00 0.00 C ATOM 856 C ASP A 58 -0.382 12.947 11.240 1.00 0.00 C ATOM 857 O ASP A 58 0.438 12.463 10.461 1.00 0.00 O ATOM 858 CB ASP A 58 -1.411 11.445 12.956 1.00 0.00 C ATOM 859 CG ASP A 58 -2.673 11.358 13.793 1.00 0.00 C ATOM 860 OD1 ASP A 58 -3.185 12.419 14.206 1.00 0.00 O ATOM 861 OD2 ASP A 58 -3.147 10.228 14.035 1.00 0.00 O ATOM 0 H ASP A 58 -1.223 10.770 10.133 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.457 12.885 11.753 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.042 10.439 12.754 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.637 11.961 13.524 1.00 0.00 H new ATOM 866 N GLY A 59 -0.239 14.151 11.786 1.00 0.00 N ATOM 867 CA GLY A 59 0.918 14.971 11.480 1.00 0.00 C ATOM 868 C GLY A 59 1.406 14.779 10.058 1.00 0.00 C ATOM 869 O GLY A 59 2.449 14.167 9.829 1.00 0.00 O ATOM 0 H GLY A 59 -0.904 14.573 12.435 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.667 16.020 11.636 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.724 14.730 12.173 1.00 0.00 H new ATOM 873 N SER A 60 0.649 15.302 9.099 1.00 0.00 N ATOM 874 CA SER A 60 1.006 15.181 7.690 1.00 0.00 C ATOM 875 C SER A 60 1.493 13.770 7.373 1.00 0.00 C ATOM 876 O SER A 60 2.388 13.581 6.549 1.00 0.00 O ATOM 877 CB SER A 60 2.089 16.200 7.328 1.00 0.00 C ATOM 878 OG SER A 60 1.768 17.485 7.831 1.00 0.00 O ATOM 0 H SER A 60 -0.216 15.814 9.272 1.00 0.00 H new ATOM 0 HA SER A 60 0.115 15.381 7.095 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.048 15.876 7.733 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.201 16.247 6.245 1.00 0.00 H new ATOM 0 HG SER A 60 2.476 18.118 7.588 1.00 0.00 H new ATOM 884 N ARG A 61 0.897 12.783 8.034 1.00 0.00 N ATOM 885 CA ARG A 61 1.270 11.389 7.825 1.00 0.00 C ATOM 886 C ARG A 61 0.035 10.526 7.586 1.00 0.00 C ATOM 887 O ARG A 61 -0.910 10.546 8.376 1.00 0.00 O ATOM 888 CB ARG A 61 2.050 10.861 9.030 1.00 0.00 C ATOM 889 CG ARG A 61 2.916 9.653 8.714 1.00 0.00 C ATOM 890 CD ARG A 61 2.168 8.351 8.958 1.00 0.00 C ATOM 891 NE ARG A 61 2.750 7.237 8.214 1.00 0.00 N ATOM 892 CZ ARG A 61 2.632 5.967 8.583 1.00 0.00 C ATOM 893 NH1 ARG A 61 1.956 5.650 9.679 1.00 0.00 N ATOM 894 NH2 ARG A 61 3.191 5.009 7.854 1.00 0.00 N ATOM 0 H ARG A 61 0.154 12.923 8.719 1.00 0.00 H new ATOM 0 HA ARG A 61 1.904 11.337 6.940 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.682 11.658 9.420 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.347 10.596 9.820 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.240 9.698 7.674 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.815 9.678 9.329 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.180 8.121 10.023 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.124 8.473 8.670 1.00 0.00 H new ATOM 0 HE ARG A 61 3.275 7.446 7.365 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.524 6.383 10.242 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.868 4.673 9.959 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.711 5.248 7.010 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.100 4.033 8.138 1.00 0.00 H new ATOM 908 N CYS A 62 0.050 9.770 6.494 1.00 0.00 N ATOM 909 CA CYS A 62 -1.070 8.901 6.151 1.00 0.00 C ATOM 910 C CYS A 62 -0.649 7.435 6.179 1.00 0.00 C ATOM 911 O CYS A 62 0.453 7.088 5.757 1.00 0.00 O ATOM 912 CB CYS A 62 -1.616 9.260 4.768 1.00 0.00 C ATOM 913 SG CYS A 62 -1.973 11.019 4.550 1.00 0.00 S ATOM 0 H CYS A 62 0.825 9.741 5.831 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.854 9.050 6.894 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.894 8.950 4.012 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.528 8.690 4.590 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.607 11.392 3.360 1.00 0.00 H new ATOM 919 N GLU A 63 -1.534 6.580 6.682 1.00 0.00 N ATOM 920 CA GLU A 63 -1.252 5.152 6.768 1.00 0.00 C ATOM 921 C GLU A 63 -2.519 4.333 6.539 1.00 0.00 C ATOM 922 O GLU A 63 -3.452 4.373 7.343 1.00 0.00 O ATOM 923 CB GLU A 63 -0.650 4.810 8.133 1.00 0.00 C ATOM 924 CG GLU A 63 0.098 3.487 8.153 1.00 0.00 C ATOM 925 CD GLU A 63 0.402 3.011 9.560 1.00 0.00 C ATOM 926 OE1 GLU A 63 -0.461 3.189 10.446 1.00 0.00 O ATOM 927 OE2 GLU A 63 1.502 2.461 9.777 1.00 0.00 O ATOM 0 H GLU A 63 -2.451 6.851 7.036 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.532 4.902 5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.031 5.607 8.431 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.448 4.778 8.875 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.494 2.731 7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.031 3.593 7.600 1.00 0.00 H new ATOM 934 N LEU A 64 -2.545 3.590 5.438 1.00 0.00 N ATOM 935 CA LEU A 64 -3.697 2.760 5.102 1.00 0.00 C ATOM 936 C LEU A 64 -3.444 1.302 5.470 1.00 0.00 C ATOM 937 O LEU A 64 -2.297 0.865 5.558 1.00 0.00 O ATOM 938 CB LEU A 64 -4.013 2.874 3.609 1.00 0.00 C ATOM 939 CG LEU A 64 -5.001 1.848 3.053 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.407 2.134 3.555 1.00 0.00 C ATOM 941 CD2 LEU A 64 -4.966 1.845 1.531 1.00 0.00 C ATOM 0 H LEU A 64 -1.782 3.545 4.763 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.551 3.117 5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.409 3.871 3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.080 2.789 3.053 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.706 0.860 3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.096 1.394 3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.422 2.084 4.644 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.713 3.129 3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.675 1.109 1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.235 2.833 1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.962 1.590 1.191 1.00 0.00 H new ATOM 953 N GLN A 65 -4.522 0.555 5.683 1.00 0.00 N ATOM 954 CA GLN A 65 -4.417 -0.854 6.040 1.00 0.00 C ATOM 955 C GLN A 65 -5.463 -1.683 5.302 1.00 0.00 C ATOM 956 O GLN A 65 -6.607 -1.256 5.142 1.00 0.00 O ATOM 957 CB GLN A 65 -4.580 -1.033 7.550 1.00 0.00 C ATOM 958 CG GLN A 65 -3.847 -2.244 8.103 1.00 0.00 C ATOM 959 CD GLN A 65 -4.087 -2.447 9.586 1.00 0.00 C ATOM 960 OE1 GLN A 65 -5.231 -2.542 10.033 1.00 0.00 O ATOM 961 NE2 GLN A 65 -3.009 -2.514 10.357 1.00 0.00 N ATOM 0 H GLN A 65 -5.479 0.902 5.614 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.428 -1.204 5.744 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.217 -0.138 8.055 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.641 -1.123 7.784 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.166 -3.135 7.562 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.778 -2.129 7.925 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.080 -2.430 9.944 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.109 -2.649 11.363 1.00 0.00 H new ATOM 970 N ILE A 66 -5.063 -2.868 4.854 1.00 0.00 N ATOM 971 CA ILE A 66 -5.967 -3.757 4.134 1.00 0.00 C ATOM 972 C ILE A 66 -5.935 -5.165 4.717 1.00 0.00 C ATOM 973 O ILE A 66 -5.373 -6.083 4.120 1.00 0.00 O ATOM 974 CB ILE A 66 -5.613 -3.826 2.636 1.00 0.00 C ATOM 975 CG1 ILE A 66 -5.794 -2.453 1.984 1.00 0.00 C ATOM 976 CG2 ILE A 66 -6.473 -4.868 1.937 1.00 0.00 C ATOM 977 CD1 ILE A 66 -5.255 -2.380 0.572 1.00 0.00 C ATOM 0 H ILE A 66 -4.119 -3.235 4.977 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.970 -3.344 4.244 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.568 -4.120 2.537 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.855 -2.202 1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.294 -1.701 2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.212 -4.905 0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.300 -5.845 2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.525 -4.601 2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.417 -1.379 0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.187 -2.600 0.578 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.772 -3.108 -0.053 1.00 0.00 H new ATOM 989 N ARG A 67 -6.543 -5.329 5.888 1.00 0.00 N ATOM 990 CA ARG A 67 -6.584 -6.625 6.553 1.00 0.00 C ATOM 991 C ARG A 67 -6.994 -7.724 5.576 1.00 0.00 C ATOM 992 O ARG A 67 -7.788 -7.495 4.665 1.00 0.00 O ATOM 993 CB ARG A 67 -7.559 -6.587 7.731 1.00 0.00 C ATOM 994 CG ARG A 67 -7.158 -7.495 8.882 1.00 0.00 C ATOM 995 CD ARG A 67 -8.371 -7.965 9.670 1.00 0.00 C ATOM 996 NE ARG A 67 -9.267 -8.784 8.858 1.00 0.00 N ATOM 997 CZ ARG A 67 -10.332 -9.412 9.344 1.00 0.00 C ATOM 998 NH1 ARG A 67 -10.632 -9.315 10.632 1.00 0.00 N ATOM 999 NH2 ARG A 67 -11.099 -10.139 8.541 1.00 0.00 N ATOM 0 H ARG A 67 -7.014 -4.580 6.395 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.584 -6.846 6.925 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.635 -5.563 8.096 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.550 -6.874 7.381 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.618 -8.359 8.494 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.476 -6.964 9.545 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.041 -8.539 10.536 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.915 -7.100 10.049 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.064 -8.879 7.863 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.045 -8.757 11.252 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.450 -9.798 11.003 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.871 -10.216 7.550 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.916 -10.621 8.915 1.00 0.00 H new ATOM 1013 N GLY A 68 -6.445 -8.919 5.773 1.00 0.00 N ATOM 1014 CA GLY A 68 -6.764 -10.035 4.902 1.00 0.00 C ATOM 1015 C GLY A 68 -6.507 -9.722 3.441 1.00 0.00 C ATOM 1016 O GLY A 68 -7.444 -9.519 2.668 1.00 0.00 O ATOM 0 H GLY A 68 -5.785 -9.134 6.520 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.171 -10.901 5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -7.811 -10.307 5.033 1.00 0.00 H new ATOM 1020 N LEU A 69 -5.235 -9.681 3.061 1.00 0.00 N ATOM 1021 CA LEU A 69 -4.857 -9.389 1.683 1.00 0.00 C ATOM 1022 C LEU A 69 -5.439 -10.425 0.727 1.00 0.00 C ATOM 1023 O LEU A 69 -6.080 -11.386 1.153 1.00 0.00 O ATOM 1024 CB LEU A 69 -3.333 -9.354 1.548 1.00 0.00 C ATOM 1025 CG LEU A 69 -2.666 -8.006 1.822 1.00 0.00 C ATOM 1026 CD1 LEU A 69 -1.165 -8.178 1.994 1.00 0.00 C ATOM 1027 CD2 LEU A 69 -2.966 -7.024 0.699 1.00 0.00 C ATOM 0 H LEU A 69 -4.448 -9.846 3.688 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.262 -8.412 1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.911 -10.091 2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.070 -9.668 0.538 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.074 -7.603 2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.708 -7.208 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.969 -8.846 2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.741 -8.604 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.483 -6.070 0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.587 -7.421 -0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.043 -6.876 0.623 1.00 0.00 H new ATOM 1039 N ALA A 70 -5.211 -10.223 -0.567 1.00 0.00 N ATOM 1040 CA ALA A 70 -5.710 -11.142 -1.583 1.00 0.00 C ATOM 1041 C ALA A 70 -5.204 -10.755 -2.968 1.00 0.00 C ATOM 1042 O ALA A 70 -4.767 -9.626 -3.188 1.00 0.00 O ATOM 1043 CB ALA A 70 -7.231 -11.174 -1.564 1.00 0.00 C ATOM 0 H ALA A 70 -4.684 -9.431 -0.936 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.334 -12.139 -1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.590 -11.864 -2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.576 -11.505 -0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.618 -10.176 -1.766 1.00 0.00 H new ATOM 1049 N VAL A 71 -5.265 -11.701 -3.901 1.00 0.00 N ATOM 1050 CA VAL A 71 -4.813 -11.459 -5.265 1.00 0.00 C ATOM 1051 C VAL A 71 -5.668 -10.397 -5.947 1.00 0.00 C ATOM 1052 O VAL A 71 -5.220 -9.727 -6.878 1.00 0.00 O ATOM 1053 CB VAL A 71 -4.850 -12.749 -6.106 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -4.424 -12.466 -7.538 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -3.967 -13.818 -5.479 1.00 0.00 C ATOM 0 H VAL A 71 -5.623 -12.642 -3.736 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.784 -11.106 -5.199 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.874 -13.121 -6.125 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.457 -13.389 -8.116 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.101 -11.736 -7.981 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.409 -12.070 -7.544 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.005 -14.723 -6.086 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.940 -13.458 -5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.323 -14.040 -4.473 1.00 0.00 H new ATOM 1065 N VAL A 72 -6.902 -10.247 -5.477 1.00 0.00 N ATOM 1066 CA VAL A 72 -7.821 -9.264 -6.040 1.00 0.00 C ATOM 1067 C VAL A 72 -7.511 -7.863 -5.524 1.00 0.00 C ATOM 1068 O VAL A 72 -7.907 -6.866 -6.128 1.00 0.00 O ATOM 1069 CB VAL A 72 -9.284 -9.610 -5.708 1.00 0.00 C ATOM 1070 CG1 VAL A 72 -9.680 -10.931 -6.349 1.00 0.00 C ATOM 1071 CG2 VAL A 72 -9.493 -9.654 -4.202 1.00 0.00 C ATOM 0 H VAL A 72 -7.289 -10.794 -4.708 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.686 -9.287 -7.121 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.925 -8.829 -6.118 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.717 -11.158 -6.103 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.572 -10.857 -7.431 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.035 -11.726 -5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.533 -9.900 -3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.843 -10.413 -3.766 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.254 -8.681 -3.773 1.00 0.00 H new ATOM 1081 N ASP A 73 -6.800 -7.795 -4.404 1.00 0.00 N ATOM 1082 CA ASP A 73 -6.435 -6.516 -3.806 1.00 0.00 C ATOM 1083 C ASP A 73 -5.258 -5.888 -4.544 1.00 0.00 C ATOM 1084 O ASP A 73 -5.163 -4.666 -4.655 1.00 0.00 O ATOM 1085 CB ASP A 73 -6.087 -6.700 -2.328 1.00 0.00 C ATOM 1086 CG ASP A 73 -7.285 -7.120 -1.499 1.00 0.00 C ATOM 1087 OD1 ASP A 73 -8.301 -7.536 -2.094 1.00 0.00 O ATOM 1088 OD2 ASP A 73 -7.206 -7.032 -0.255 1.00 0.00 O ATOM 0 H ASP A 73 -6.465 -8.611 -3.892 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.291 -5.847 -3.889 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.302 -7.450 -2.233 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.685 -5.767 -1.933 1.00 0.00 H new ATOM 1093 N ALA A 74 -4.362 -6.732 -5.047 1.00 0.00 N ATOM 1094 CA ALA A 74 -3.192 -6.259 -5.775 1.00 0.00 C ATOM 1095 C ALA A 74 -3.588 -5.654 -7.118 1.00 0.00 C ATOM 1096 O ALA A 74 -4.252 -6.298 -7.928 1.00 0.00 O ATOM 1097 CB ALA A 74 -2.202 -7.396 -5.978 1.00 0.00 C ATOM 0 H ALA A 74 -4.425 -7.747 -4.963 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.716 -5.479 -5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.333 -7.029 -6.523 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.886 -7.781 -5.008 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.677 -8.195 -6.548 1.00 0.00 H new ATOM 1103 N GLY A 75 -3.175 -4.411 -7.346 1.00 0.00 N ATOM 1104 CA GLY A 75 -3.498 -3.739 -8.592 1.00 0.00 C ATOM 1105 C GLY A 75 -2.955 -2.325 -8.646 1.00 0.00 C ATOM 1106 O GLY A 75 -1.904 -2.080 -9.237 1.00 0.00 O ATOM 0 H GLY A 75 -2.623 -3.857 -6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.093 -4.312 -9.426 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.580 -3.714 -8.718 1.00 0.00 H new ATOM 1110 N GLU A 76 -3.674 -1.393 -8.029 1.00 0.00 N ATOM 1111 CA GLU A 76 -3.258 0.005 -8.012 1.00 0.00 C ATOM 1112 C GLU A 76 -4.097 0.810 -7.024 1.00 0.00 C ATOM 1113 O GLU A 76 -5.327 0.789 -7.076 1.00 0.00 O ATOM 1114 CB GLU A 76 -3.375 0.612 -9.412 1.00 0.00 C ATOM 1115 CG GLU A 76 -3.262 2.127 -9.429 1.00 0.00 C ATOM 1116 CD GLU A 76 -2.704 2.655 -10.737 1.00 0.00 C ATOM 1117 OE1 GLU A 76 -3.493 2.847 -11.685 1.00 0.00 O ATOM 1118 OE2 GLU A 76 -1.477 2.876 -10.811 1.00 0.00 O ATOM 0 H GLU A 76 -4.546 -1.580 -7.535 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.216 0.044 -7.693 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.596 0.191 -10.048 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.332 0.322 -9.846 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.246 2.563 -9.255 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.621 2.449 -8.608 1.00 0.00 H new ATOM 1125 N TYR A 77 -3.424 1.520 -6.126 1.00 0.00 N ATOM 1126 CA TYR A 77 -4.107 2.330 -5.124 1.00 0.00 C ATOM 1127 C TYR A 77 -3.830 3.814 -5.344 1.00 0.00 C ATOM 1128 O TYR A 77 -2.719 4.204 -5.703 1.00 0.00 O ATOM 1129 CB TYR A 77 -3.665 1.920 -3.718 1.00 0.00 C ATOM 1130 CG TYR A 77 -4.109 0.529 -3.325 1.00 0.00 C ATOM 1131 CD1 TYR A 77 -5.333 0.320 -2.701 1.00 0.00 C ATOM 1132 CD2 TYR A 77 -3.305 -0.575 -3.578 1.00 0.00 C ATOM 1133 CE1 TYR A 77 -5.743 -0.948 -2.339 1.00 0.00 C ATOM 1134 CE2 TYR A 77 -3.708 -1.848 -3.221 1.00 0.00 C ATOM 1135 CZ TYR A 77 -4.927 -2.029 -2.602 1.00 0.00 C ATOM 1136 OH TYR A 77 -5.331 -3.295 -2.244 1.00 0.00 O ATOM 0 H TYR A 77 -2.406 1.551 -6.071 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.179 2.160 -5.224 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.578 1.976 -3.657 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.062 2.636 -2.998 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -5.975 1.164 -2.496 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.349 -0.436 -4.062 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.697 -1.093 -1.853 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.072 -2.696 -3.426 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.192 -3.908 -2.996 1.00 0.00 H new ATOM 1146 N SER A 78 -4.850 4.638 -5.124 1.00 0.00 N ATOM 1147 CA SER A 78 -4.720 6.080 -5.300 1.00 0.00 C ATOM 1148 C SER A 78 -5.090 6.820 -4.018 1.00 0.00 C ATOM 1149 O SER A 78 -6.036 6.446 -3.324 1.00 0.00 O ATOM 1150 CB SER A 78 -5.608 6.556 -6.452 1.00 0.00 C ATOM 1151 OG SER A 78 -5.159 6.036 -7.691 1.00 0.00 O ATOM 0 H SER A 78 -5.775 4.332 -4.824 1.00 0.00 H new ATOM 0 HA SER A 78 -3.679 6.300 -5.538 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.637 6.244 -6.275 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.607 7.645 -6.490 1.00 0.00 H new ATOM 0 HG SER A 78 -5.744 6.353 -8.410 1.00 0.00 H new ATOM 1157 N CYS A 79 -4.336 7.869 -3.711 1.00 0.00 N ATOM 1158 CA CYS A 79 -4.583 8.662 -2.511 1.00 0.00 C ATOM 1159 C CYS A 79 -4.790 10.132 -2.864 1.00 0.00 C ATOM 1160 O CYS A 79 -3.845 10.835 -3.221 1.00 0.00 O ATOM 1161 CB CYS A 79 -3.417 8.520 -1.532 1.00 0.00 C ATOM 1162 SG CYS A 79 -3.772 9.130 0.133 1.00 0.00 S ATOM 0 H CYS A 79 -3.549 8.191 -4.275 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.492 8.289 -2.039 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.135 7.469 -1.470 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.556 9.058 -1.929 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.876 8.125 0.950 1.00 0.00 H new ATOM 1168 N VAL A 80 -6.034 10.589 -2.764 1.00 0.00 N ATOM 1169 CA VAL A 80 -6.366 11.975 -3.073 1.00 0.00 C ATOM 1170 C VAL A 80 -6.153 12.874 -1.860 1.00 0.00 C ATOM 1171 O VAL A 80 -6.834 12.734 -0.843 1.00 0.00 O ATOM 1172 CB VAL A 80 -7.825 12.109 -3.548 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -8.083 13.506 -4.092 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -8.143 11.053 -4.596 1.00 0.00 C ATOM 0 H VAL A 80 -6.828 10.020 -2.472 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.700 12.290 -3.876 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.483 11.950 -2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.119 13.582 -4.423 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.897 14.241 -3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.418 13.697 -4.934 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.178 11.162 -4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.479 11.178 -5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.000 10.061 -4.168 1.00 0.00 H new ATOM 1184 N CYS A 81 -5.206 13.798 -1.976 1.00 0.00 N ATOM 1185 CA CYS A 81 -4.903 14.722 -0.888 1.00 0.00 C ATOM 1186 C CYS A 81 -5.543 16.084 -1.137 1.00 0.00 C ATOM 1187 O CYS A 81 -4.890 17.119 -1.017 1.00 0.00 O ATOM 1188 CB CYS A 81 -3.390 14.878 -0.731 1.00 0.00 C ATOM 1189 SG CYS A 81 -2.577 15.663 -2.142 1.00 0.00 S ATOM 0 H CYS A 81 -4.635 13.928 -2.811 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.316 14.309 0.032 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.187 15.466 0.164 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.949 13.894 -0.573 1.00 0.00 H new ATOM 0 HG CYS A 81 -1.864 14.781 -2.778 1.00 0.00 H new ATOM 1195 N GLY A 82 -6.826 16.074 -1.486 1.00 0.00 N ATOM 1196 CA GLY A 82 -7.533 17.314 -1.749 1.00 0.00 C ATOM 1197 C GLY A 82 -7.503 17.699 -3.215 1.00 0.00 C ATOM 1198 O GLY A 82 -8.377 17.301 -3.985 1.00 0.00 O ATOM 0 H GLY A 82 -7.388 15.229 -1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.569 17.214 -1.424 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.089 18.114 -1.157 1.00 0.00 H new ATOM 1202 N GLN A 83 -6.497 18.477 -3.601 1.00 0.00 N ATOM 1203 CA GLN A 83 -6.359 18.917 -4.984 1.00 0.00 C ATOM 1204 C GLN A 83 -5.525 17.928 -5.790 1.00 0.00 C ATOM 1205 O GLN A 83 -5.924 17.505 -6.874 1.00 0.00 O ATOM 1206 CB GLN A 83 -5.718 20.305 -5.038 1.00 0.00 C ATOM 1207 CG GLN A 83 -6.709 21.441 -4.836 1.00 0.00 C ATOM 1208 CD GLN A 83 -6.029 22.758 -4.514 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -6.059 23.696 -5.311 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -5.412 22.834 -3.341 1.00 0.00 N ATOM 0 H GLN A 83 -5.766 18.815 -2.976 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.355 18.967 -5.424 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.944 20.369 -4.273 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.225 20.431 -6.002 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.311 21.558 -5.737 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.393 21.182 -4.028 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.413 22.031 -2.711 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -4.937 23.695 -3.069 1.00 0.00 H new ATOM 1219 N GLU A 84 -4.365 17.563 -5.253 1.00 0.00 N ATOM 1220 CA GLU A 84 -3.475 16.623 -5.924 1.00 0.00 C ATOM 1221 C GLU A 84 -3.822 15.185 -5.552 1.00 0.00 C ATOM 1222 O GLU A 84 -4.527 14.938 -4.574 1.00 0.00 O ATOM 1223 CB GLU A 84 -2.018 16.919 -5.561 1.00 0.00 C ATOM 1224 CG GLU A 84 -1.558 18.308 -5.970 1.00 0.00 C ATOM 1225 CD GLU A 84 -1.271 18.413 -7.455 1.00 0.00 C ATOM 1226 OE1 GLU A 84 -0.615 17.500 -7.998 1.00 0.00 O ATOM 1227 OE2 GLU A 84 -1.701 19.409 -8.073 1.00 0.00 O ATOM 0 H GLU A 84 -4.020 17.904 -4.356 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.605 16.743 -7.000 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.891 16.806 -4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.376 16.178 -6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.324 19.035 -5.699 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.659 18.569 -5.411 1.00 0.00 H new ATOM 1234 N ARG A 85 -3.322 14.239 -6.341 1.00 0.00 N ATOM 1235 CA ARG A 85 -3.580 12.825 -6.097 1.00 0.00 C ATOM 1236 C ARG A 85 -2.446 11.963 -6.644 1.00 0.00 C ATOM 1237 O ARG A 85 -1.923 12.220 -7.729 1.00 0.00 O ATOM 1238 CB ARG A 85 -4.905 12.409 -6.737 1.00 0.00 C ATOM 1239 CG ARG A 85 -5.093 10.903 -6.824 1.00 0.00 C ATOM 1240 CD ARG A 85 -6.224 10.537 -7.772 1.00 0.00 C ATOM 1241 NE ARG A 85 -5.783 10.503 -9.163 1.00 0.00 N ATOM 1242 CZ ARG A 85 -6.611 10.587 -10.199 1.00 0.00 C ATOM 1243 NH1 ARG A 85 -7.916 10.709 -10.001 1.00 0.00 N ATOM 1244 NH2 ARG A 85 -6.133 10.549 -11.436 1.00 0.00 N ATOM 0 H ARG A 85 -2.736 14.426 -7.155 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.641 12.673 -5.019 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.726 12.837 -6.162 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.963 12.832 -7.740 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.167 10.439 -7.164 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.305 10.504 -5.832 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.627 9.563 -7.496 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.034 11.259 -7.666 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.785 10.410 -9.350 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.287 10.739 -9.051 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -8.549 10.773 -10.798 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.129 10.455 -11.592 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.769 10.614 -12.231 1.00 0.00 H new ATOM 1258 N THR A 86 -2.069 10.939 -5.885 1.00 0.00 N ATOM 1259 CA THR A 86 -0.996 10.040 -6.292 1.00 0.00 C ATOM 1260 C THR A 86 -1.536 8.653 -6.623 1.00 0.00 C ATOM 1261 O THR A 86 -2.729 8.389 -6.470 1.00 0.00 O ATOM 1262 CB THR A 86 0.077 9.912 -5.194 1.00 0.00 C ATOM 1263 OG1 THR A 86 1.209 9.193 -5.697 1.00 0.00 O ATOM 1264 CG2 THR A 86 -0.482 9.198 -3.973 1.00 0.00 C ATOM 0 H THR A 86 -2.491 10.711 -4.985 1.00 0.00 H new ATOM 0 HA THR A 86 -0.543 10.473 -7.184 1.00 0.00 H new ATOM 0 HB THR A 86 0.386 10.915 -4.899 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.167 8.262 -5.393 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.293 9.119 -3.211 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.325 9.763 -3.576 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.815 8.200 -4.256 1.00 0.00 H new ATOM 1272 N SER A 87 -0.652 7.771 -7.076 1.00 0.00 N ATOM 1273 CA SER A 87 -1.041 6.411 -7.431 1.00 0.00 C ATOM 1274 C SER A 87 0.153 5.465 -7.349 1.00 0.00 C ATOM 1275 O SER A 87 1.279 5.839 -7.676 1.00 0.00 O ATOM 1276 CB SER A 87 -1.635 6.380 -8.841 1.00 0.00 C ATOM 1277 OG SER A 87 -1.004 7.331 -9.681 1.00 0.00 O ATOM 0 H SER A 87 0.339 7.973 -7.206 1.00 0.00 H new ATOM 0 HA SER A 87 -1.796 6.078 -6.719 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.521 5.383 -9.265 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.704 6.585 -8.793 1.00 0.00 H new ATOM 0 HG SER A 87 -1.400 7.290 -10.576 1.00 0.00 H new ATOM 1283 N ALA A 88 -0.102 4.237 -6.910 1.00 0.00 N ATOM 1284 CA ALA A 88 0.950 3.236 -6.786 1.00 0.00 C ATOM 1285 C ALA A 88 0.433 1.849 -7.151 1.00 0.00 C ATOM 1286 O ALA A 88 -0.765 1.655 -7.357 1.00 0.00 O ATOM 1287 CB ALA A 88 1.516 3.237 -5.374 1.00 0.00 C ATOM 0 H ALA A 88 -1.028 3.911 -6.634 1.00 0.00 H new ATOM 0 HA ALA A 88 1.747 3.493 -7.484 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.301 2.484 -5.296 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.932 4.219 -5.149 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.722 3.008 -4.663 1.00 0.00 H new ATOM 1293 N THR A 89 1.345 0.884 -7.230 1.00 0.00 N ATOM 1294 CA THR A 89 0.981 -0.485 -7.571 1.00 0.00 C ATOM 1295 C THR A 89 1.278 -1.437 -6.418 1.00 0.00 C ATOM 1296 O THR A 89 2.326 -1.346 -5.778 1.00 0.00 O ATOM 1297 CB THR A 89 1.731 -0.969 -8.826 1.00 0.00 C ATOM 1298 OG1 THR A 89 1.614 0.002 -9.872 1.00 0.00 O ATOM 1299 CG2 THR A 89 1.182 -2.305 -9.304 1.00 0.00 C ATOM 0 H THR A 89 2.341 1.026 -7.062 1.00 0.00 H new ATOM 0 HA THR A 89 -0.090 -0.486 -7.773 1.00 0.00 H new ATOM 0 HB THR A 89 2.782 -1.098 -8.566 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.095 -0.313 -10.666 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.728 -2.626 -10.191 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.300 -3.049 -8.517 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.125 -2.198 -9.547 1.00 0.00 H new ATOM 1307 N LEU A 90 0.349 -2.350 -6.157 1.00 0.00 N ATOM 1308 CA LEU A 90 0.511 -3.320 -5.079 1.00 0.00 C ATOM 1309 C LEU A 90 0.733 -4.722 -5.638 1.00 0.00 C ATOM 1310 O LEU A 90 0.147 -5.098 -6.653 1.00 0.00 O ATOM 1311 CB LEU A 90 -0.718 -3.311 -4.169 1.00 0.00 C ATOM 1312 CG LEU A 90 -0.477 -3.710 -2.712 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -0.137 -2.488 -1.873 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -1.696 -4.425 -2.147 1.00 0.00 C ATOM 0 H LEU A 90 -0.524 -2.439 -6.677 1.00 0.00 H new ATOM 0 HA LEU A 90 1.388 -3.037 -4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.149 -2.310 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.463 -3.986 -4.591 1.00 0.00 H new ATOM 0 HG LEU A 90 0.370 -4.395 -2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.031 -2.791 -0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.765 -2.017 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.963 -1.778 -1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.507 -4.702 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.561 -3.763 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.894 -5.323 -2.732 1.00 0.00 H new ATOM 1326 N THR A 91 1.584 -5.493 -4.967 1.00 0.00 N ATOM 1327 CA THR A 91 1.883 -6.854 -5.395 1.00 0.00 C ATOM 1328 C THR A 91 1.542 -7.861 -4.303 1.00 0.00 C ATOM 1329 O THR A 91 2.121 -7.835 -3.218 1.00 0.00 O ATOM 1330 CB THR A 91 3.367 -7.009 -5.776 1.00 0.00 C ATOM 1331 OG1 THR A 91 3.677 -6.169 -6.893 1.00 0.00 O ATOM 1332 CG2 THR A 91 3.690 -8.456 -6.117 1.00 0.00 C ATOM 0 H THR A 91 2.078 -5.198 -4.125 1.00 0.00 H new ATOM 0 HA THR A 91 1.268 -7.052 -6.273 1.00 0.00 H new ATOM 0 HB THR A 91 3.972 -6.711 -4.920 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.623 -6.272 -7.128 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.744 -8.541 -6.383 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.482 -9.088 -5.254 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.076 -8.777 -6.959 1.00 0.00 H new ATOM 1340 N VAL A 92 0.597 -8.749 -4.598 1.00 0.00 N ATOM 1341 CA VAL A 92 0.180 -9.767 -3.641 1.00 0.00 C ATOM 1342 C VAL A 92 0.544 -11.164 -4.132 1.00 0.00 C ATOM 1343 O VAL A 92 -0.107 -11.709 -5.024 1.00 0.00 O ATOM 1344 CB VAL A 92 -1.337 -9.705 -3.381 1.00 0.00 C ATOM 1345 CG1 VAL A 92 -1.733 -10.693 -2.294 1.00 0.00 C ATOM 1346 CG2 VAL A 92 -1.755 -8.291 -3.007 1.00 0.00 C ATOM 0 H VAL A 92 0.106 -8.784 -5.492 1.00 0.00 H new ATOM 0 HA VAL A 92 0.709 -9.563 -2.710 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.858 -9.983 -4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.808 -10.635 -2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.469 -11.703 -2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.206 -10.449 -1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.830 -8.265 -2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.228 -7.983 -2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.507 -7.611 -3.822 1.00 0.00 H new ATOM 1356 N ARG A 93 1.587 -11.739 -3.543 1.00 0.00 N ATOM 1357 CA ARG A 93 2.038 -13.073 -3.920 1.00 0.00 C ATOM 1358 C ARG A 93 1.052 -14.136 -3.443 1.00 0.00 C ATOM 1359 O ARG A 93 1.004 -14.466 -2.259 1.00 0.00 O ATOM 1360 CB ARG A 93 3.425 -13.350 -3.336 1.00 0.00 C ATOM 1361 CG ARG A 93 4.507 -12.429 -3.874 1.00 0.00 C ATOM 1362 CD ARG A 93 5.880 -12.816 -3.348 1.00 0.00 C ATOM 1363 NE ARG A 93 6.481 -13.896 -4.126 1.00 0.00 N ATOM 1364 CZ ARG A 93 6.825 -13.777 -5.404 1.00 0.00 C ATOM 1365 NH1 ARG A 93 6.629 -12.633 -6.043 1.00 0.00 N ATOM 1366 NH2 ARG A 93 7.367 -14.805 -6.044 1.00 0.00 N ATOM 0 H ARG A 93 2.136 -11.302 -2.803 1.00 0.00 H new ATOM 0 HA ARG A 93 2.094 -13.116 -5.008 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.380 -13.249 -2.252 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.700 -14.383 -3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.510 -12.466 -4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.284 -11.400 -3.591 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.535 -11.945 -3.371 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.795 -13.124 -2.306 1.00 0.00 H new ATOM 0 HE ARG A 93 6.646 -14.790 -3.663 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.213 -11.840 -5.554 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.894 -12.545 -7.024 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.520 -15.687 -5.555 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.631 -14.713 -7.025 1.00 0.00 H new ATOM 1380 N ALA A 94 0.267 -14.667 -4.375 1.00 0.00 N ATOM 1381 CA ALA A 94 -0.717 -15.693 -4.050 1.00 0.00 C ATOM 1382 C ALA A 94 -0.089 -16.816 -3.231 1.00 0.00 C ATOM 1383 O ALA A 94 0.773 -17.547 -3.720 1.00 0.00 O ATOM 1384 CB ALA A 94 -1.339 -16.248 -5.322 1.00 0.00 C ATOM 0 H ALA A 94 0.293 -14.404 -5.360 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.500 -15.234 -3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.072 -17.013 -5.065 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.831 -15.443 -5.868 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.561 -16.686 -5.946 1.00 0.00 H new ATOM 1390 N LEU A 95 -0.526 -16.947 -1.984 1.00 0.00 N ATOM 1391 CA LEU A 95 -0.006 -17.982 -1.096 1.00 0.00 C ATOM 1392 C LEU A 95 -0.146 -19.363 -1.729 1.00 0.00 C ATOM 1393 O LEU A 95 -1.068 -19.629 -2.499 1.00 0.00 O ATOM 1394 CB LEU A 95 -0.740 -17.947 0.245 1.00 0.00 C ATOM 1395 CG LEU A 95 -0.329 -16.831 1.207 1.00 0.00 C ATOM 1396 CD1 LEU A 95 -1.482 -16.469 2.129 1.00 0.00 C ATOM 1397 CD2 LEU A 95 0.892 -17.247 2.014 1.00 0.00 C ATOM 0 H LEU A 95 -1.239 -16.350 -1.564 1.00 0.00 H new ATOM 0 HA LEU A 95 1.053 -17.784 -0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.808 -17.855 0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.588 -18.904 0.744 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.070 -15.949 0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.171 -15.674 2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.330 -16.129 1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.773 -17.345 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.171 -16.441 2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.660 -18.143 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.721 -17.455 1.338 1.00 0.00 H new