USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 737 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 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 67 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 30 CYS SG : rot -82:sc= 0.368 USER MOD Set 2.2: A 62 CYS SG : rot -120:sc= -0.144 USER MOD Set 2.3: A 79 CYS SG : rot -173:sc= -0.163 USER MOD Set 3.1: A 2 SER OG : rot 180:sc= -0.171 USER MOD Set 3.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -13:sc= 0.771 USER MOD Single : A 17 ASN : amide:sc= -0.841 X(o=-0.84,f=-0.72) USER MOD Single : A 27 MET CE :methyl -112:sc= -1.35 (180deg=-3.78!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0323) USER MOD Single : A 42 LYS NZ :NH3+ -159:sc= -0.0804 (180deg=-0.486) USER MOD Single : A 46 ASN :FLIP amide:sc= -2.22! C(o=-4.3!,f=-2.2!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.274 K(o=-0.27,f=-1.6) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 71 MET CE :methyl 157:sc= -0.682 (180deg=-1.09) USER MOD Single : A 77 TYR OH : rot -130:sc= -0.664 USER MOD Single : A 81 CYS SG : rot -54:sc= -0.948 USER MOD Single : A 83 GLN : amide:sc= -1.61 X(o=-1.6,f=-1.3!) USER MOD Single : A 86 THR OG1 : rot 160:sc= 0 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 Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.683 31.276 -0.246 1.00 0.00 N ATOM 2 CA GLY A 1 3.840 30.402 -0.313 1.00 0.00 C ATOM 3 C GLY A 1 4.457 30.363 -1.697 1.00 0.00 C ATOM 4 O GLY A 1 3.809 29.961 -2.662 1.00 0.00 O ATOM 0 H1 GLY A 1 2.298 31.268 0.720 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.965 32.245 -0.499 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.957 30.942 -0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.588 30.738 0.405 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.547 29.394 -0.020 1.00 0.00 H new ATOM 8 N SER A 2 5.715 30.783 -1.794 1.00 0.00 N ATOM 9 CA SER A 2 6.419 30.800 -3.071 1.00 0.00 C ATOM 10 C SER A 2 6.839 29.391 -3.478 1.00 0.00 C ATOM 11 O SER A 2 6.656 28.983 -4.625 1.00 0.00 O ATOM 12 CB SER A 2 7.647 31.708 -2.988 1.00 0.00 C ATOM 13 OG SER A 2 8.650 31.135 -2.166 1.00 0.00 O ATOM 0 H SER A 2 6.267 31.116 -1.004 1.00 0.00 H new ATOM 0 HA SER A 2 5.739 31.190 -3.828 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.045 31.878 -3.988 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.358 32.681 -2.590 1.00 0.00 H new ATOM 0 HG SER A 2 9.425 31.734 -2.130 1.00 0.00 H new ATOM 19 N SER A 3 7.405 28.652 -2.529 1.00 0.00 N ATOM 20 CA SER A 3 7.856 27.290 -2.788 1.00 0.00 C ATOM 21 C SER A 3 6.676 26.324 -2.821 1.00 0.00 C ATOM 22 O SER A 3 6.448 25.638 -3.817 1.00 0.00 O ATOM 23 CB SER A 3 8.859 26.850 -1.720 1.00 0.00 C ATOM 24 OG SER A 3 10.031 27.646 -1.763 1.00 0.00 O ATOM 0 H SER A 3 7.562 28.974 -1.574 1.00 0.00 H new ATOM 0 HA SER A 3 8.344 27.275 -3.763 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.401 26.924 -0.734 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.121 25.803 -1.872 1.00 0.00 H new ATOM 0 HG SER A 3 10.656 27.346 -1.070 1.00 0.00 H new ATOM 30 N GLY A 4 5.927 26.275 -1.723 1.00 0.00 N ATOM 31 CA GLY A 4 4.779 25.391 -1.646 1.00 0.00 C ATOM 32 C GLY A 4 4.352 25.118 -0.218 1.00 0.00 C ATOM 33 O GLY A 4 4.804 24.154 0.399 1.00 0.00 O ATOM 0 H GLY A 4 6.095 26.832 -0.885 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.946 25.834 -2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.017 24.448 -2.137 1.00 0.00 H new ATOM 37 N SER A 5 3.480 25.971 0.311 1.00 0.00 N ATOM 38 CA SER A 5 2.996 25.821 1.678 1.00 0.00 C ATOM 39 C SER A 5 1.667 25.073 1.704 1.00 0.00 C ATOM 40 O SER A 5 0.746 25.394 0.952 1.00 0.00 O ATOM 41 CB SER A 5 2.836 27.191 2.338 1.00 0.00 C ATOM 42 OG SER A 5 4.086 27.693 2.780 1.00 0.00 O ATOM 0 H SER A 5 3.094 26.773 -0.187 1.00 0.00 H new ATOM 0 HA SER A 5 3.731 25.241 2.236 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.390 27.889 1.630 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.152 27.113 3.183 1.00 0.00 H new ATOM 0 HG SER A 5 3.957 28.571 3.197 1.00 0.00 H new ATOM 48 N SER A 6 1.574 24.074 2.576 1.00 0.00 N ATOM 49 CA SER A 6 0.360 23.276 2.699 1.00 0.00 C ATOM 50 C SER A 6 -0.083 22.748 1.338 1.00 0.00 C ATOM 51 O SER A 6 -1.276 22.667 1.049 1.00 0.00 O ATOM 52 CB SER A 6 -0.761 24.109 3.324 1.00 0.00 C ATOM 53 OG SER A 6 -1.691 23.283 4.004 1.00 0.00 O ATOM 0 H SER A 6 2.326 23.798 3.208 1.00 0.00 H new ATOM 0 HA SER A 6 0.577 22.426 3.346 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.336 24.833 4.019 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.274 24.676 2.547 1.00 0.00 H new ATOM 0 HG SER A 6 -2.397 23.839 4.396 1.00 0.00 H new ATOM 59 N GLY A 7 0.889 22.388 0.505 1.00 0.00 N ATOM 60 CA GLY A 7 0.580 21.871 -0.816 1.00 0.00 C ATOM 61 C GLY A 7 0.320 20.378 -0.808 1.00 0.00 C ATOM 62 O GLY A 7 -0.087 19.802 0.201 1.00 0.00 O ATOM 0 H GLY A 7 1.884 22.445 0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.296 22.387 -1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.408 22.089 -1.491 1.00 0.00 H new ATOM 66 N PRO A 8 0.556 19.726 -1.957 1.00 0.00 N ATOM 67 CA PRO A 8 0.350 18.282 -2.104 1.00 0.00 C ATOM 68 C PRO A 8 1.372 17.468 -1.318 1.00 0.00 C ATOM 69 O PRO A 8 2.192 18.022 -0.588 1.00 0.00 O ATOM 70 CB PRO A 8 0.524 18.051 -3.608 1.00 0.00 C ATOM 71 CG PRO A 8 1.394 19.171 -4.065 1.00 0.00 C ATOM 72 CD PRO A 8 1.042 20.349 -3.199 1.00 0.00 C ATOM 0 HA PRO A 8 -0.620 17.967 -1.720 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.985 17.084 -3.809 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.436 18.060 -4.124 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.448 18.913 -3.963 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.221 19.395 -5.118 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.907 20.987 -3.017 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.277 20.973 -3.661 1.00 0.00 H new ATOM 80 N ALA A 9 1.316 16.149 -1.474 1.00 0.00 N ATOM 81 CA ALA A 9 2.239 15.259 -0.781 1.00 0.00 C ATOM 82 C ALA A 9 3.125 14.508 -1.769 1.00 0.00 C ATOM 83 O ALA A 9 2.676 14.113 -2.846 1.00 0.00 O ATOM 84 CB ALA A 9 1.470 14.278 0.092 1.00 0.00 C ATOM 0 H ALA A 9 0.642 15.674 -2.074 1.00 0.00 H new ATOM 0 HA ALA A 9 2.883 15.867 -0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.171 13.619 0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.885 14.828 0.829 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.802 13.683 -0.531 1.00 0.00 H new ATOM 90 N LYS A 10 4.386 14.314 -1.398 1.00 0.00 N ATOM 91 CA LYS A 10 5.336 13.610 -2.251 1.00 0.00 C ATOM 92 C LYS A 10 5.904 12.387 -1.539 1.00 0.00 C ATOM 93 O LYS A 10 6.410 12.486 -0.421 1.00 0.00 O ATOM 94 CB LYS A 10 6.473 14.547 -2.664 1.00 0.00 C ATOM 95 CG LYS A 10 6.008 15.755 -3.458 1.00 0.00 C ATOM 96 CD LYS A 10 7.104 16.278 -4.372 1.00 0.00 C ATOM 97 CE LYS A 10 6.790 17.678 -4.875 1.00 0.00 C ATOM 98 NZ LYS A 10 8.025 18.426 -5.241 1.00 0.00 N ATOM 0 H LYS A 10 4.774 14.635 -0.511 1.00 0.00 H new ATOM 0 HA LYS A 10 4.807 13.276 -3.143 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.993 14.889 -1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.195 13.988 -3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.135 15.486 -4.052 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.697 16.544 -2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.053 16.287 -3.835 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.224 15.604 -5.220 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.134 17.613 -5.743 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.247 18.227 -4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.768 19.375 -5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.640 18.510 -4.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.530 17.915 -5.993 1.00 0.00 H new ATOM 112 N PHE A 11 5.817 11.234 -2.194 1.00 0.00 N ATOM 113 CA PHE A 11 6.323 9.991 -1.623 1.00 0.00 C ATOM 114 C PHE A 11 7.795 10.126 -1.244 1.00 0.00 C ATOM 115 O PHE A 11 8.660 10.274 -2.108 1.00 0.00 O ATOM 116 CB PHE A 11 6.144 8.839 -2.615 1.00 0.00 C ATOM 117 CG PHE A 11 4.710 8.444 -2.821 1.00 0.00 C ATOM 118 CD1 PHE A 11 4.120 7.483 -2.017 1.00 0.00 C ATOM 119 CD2 PHE A 11 3.952 9.034 -3.820 1.00 0.00 C ATOM 120 CE1 PHE A 11 2.800 7.117 -2.205 1.00 0.00 C ATOM 121 CE2 PHE A 11 2.632 8.673 -4.012 1.00 0.00 C ATOM 122 CZ PHE A 11 2.056 7.712 -3.204 1.00 0.00 C ATOM 0 H PHE A 11 5.401 11.134 -3.120 1.00 0.00 H new ATOM 0 HA PHE A 11 5.752 9.776 -0.720 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.575 9.126 -3.574 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.704 7.974 -2.260 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.698 7.014 -1.234 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.398 9.785 -4.456 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.352 6.366 -1.571 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.051 9.142 -4.793 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.025 7.427 -3.354 1.00 0.00 H new ATOM 132 N THR A 12 8.073 10.074 0.055 1.00 0.00 N ATOM 133 CA THR A 12 9.439 10.193 0.550 1.00 0.00 C ATOM 134 C THR A 12 10.169 8.857 0.474 1.00 0.00 C ATOM 135 O THR A 12 11.348 8.803 0.127 1.00 0.00 O ATOM 136 CB THR A 12 9.467 10.699 2.005 1.00 0.00 C ATOM 137 OG1 THR A 12 8.673 9.845 2.836 1.00 0.00 O ATOM 138 CG2 THR A 12 8.948 12.126 2.092 1.00 0.00 C ATOM 0 H THR A 12 7.370 9.950 0.784 1.00 0.00 H new ATOM 0 HA THR A 12 9.945 10.917 -0.088 1.00 0.00 H new ATOM 0 HB THR A 12 10.500 10.684 2.352 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.131 9.253 2.274 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.977 12.461 3.129 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.573 12.778 1.482 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.921 12.163 1.728 1.00 0.00 H new ATOM 146 N GLU A 13 9.459 7.781 0.800 1.00 0.00 N ATOM 147 CA GLU A 13 10.042 6.444 0.769 1.00 0.00 C ATOM 148 C GLU A 13 9.503 5.644 -0.413 1.00 0.00 C ATOM 149 O GLU A 13 10.144 4.706 -0.886 1.00 0.00 O ATOM 150 CB GLU A 13 9.748 5.705 2.076 1.00 0.00 C ATOM 151 CG GLU A 13 10.465 6.291 3.281 1.00 0.00 C ATOM 152 CD GLU A 13 11.872 5.751 3.443 1.00 0.00 C ATOM 153 OE1 GLU A 13 12.151 4.653 2.917 1.00 0.00 O ATOM 154 OE2 GLU A 13 12.695 6.426 4.096 1.00 0.00 O ATOM 0 H GLU A 13 8.481 7.809 1.088 1.00 0.00 H new ATOM 0 HA GLU A 13 11.121 6.548 0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.674 5.722 2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.036 4.660 1.965 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.505 7.376 3.183 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.891 6.074 4.182 1.00 0.00 H new ATOM 161 N GLY A 14 8.319 6.021 -0.886 1.00 0.00 N ATOM 162 CA GLY A 14 7.712 5.328 -2.007 1.00 0.00 C ATOM 163 C GLY A 14 7.474 3.859 -1.721 1.00 0.00 C ATOM 164 O GLY A 14 7.893 3.345 -0.683 1.00 0.00 O ATOM 0 H GLY A 14 7.769 6.795 -0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.764 5.805 -2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.355 5.425 -2.882 1.00 0.00 H new ATOM 168 N LEU A 15 6.799 3.181 -2.642 1.00 0.00 N ATOM 169 CA LEU A 15 6.504 1.761 -2.483 1.00 0.00 C ATOM 170 C LEU A 15 7.781 0.929 -2.539 1.00 0.00 C ATOM 171 O LEU A 15 8.863 1.453 -2.804 1.00 0.00 O ATOM 172 CB LEU A 15 5.532 1.297 -3.571 1.00 0.00 C ATOM 173 CG LEU A 15 4.071 1.708 -3.385 1.00 0.00 C ATOM 174 CD1 LEU A 15 3.306 1.563 -4.691 1.00 0.00 C ATOM 175 CD2 LEU A 15 3.419 0.879 -2.288 1.00 0.00 C ATOM 0 H LEU A 15 6.446 3.591 -3.507 1.00 0.00 H new ATOM 0 HA LEU A 15 6.042 1.619 -1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.878 1.685 -4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.578 0.210 -3.632 1.00 0.00 H new ATOM 0 HG LEU A 15 4.043 2.756 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.268 1.860 -4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.759 2.200 -5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.342 0.525 -5.020 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.380 1.185 -2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.458 -0.176 -2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.952 1.033 -1.350 1.00 0.00 H new ATOM 187 N ARG A 16 7.647 -0.369 -2.289 1.00 0.00 N ATOM 188 CA ARG A 16 8.791 -1.273 -2.311 1.00 0.00 C ATOM 189 C ARG A 16 8.343 -2.710 -2.564 1.00 0.00 C ATOM 190 O ARG A 16 7.532 -3.258 -1.819 1.00 0.00 O ATOM 191 CB ARG A 16 9.558 -1.192 -0.990 1.00 0.00 C ATOM 192 CG ARG A 16 8.696 -1.463 0.233 1.00 0.00 C ATOM 193 CD ARG A 16 9.496 -1.329 1.519 1.00 0.00 C ATOM 194 NE ARG A 16 9.967 0.037 1.731 1.00 0.00 N ATOM 195 CZ ARG A 16 11.087 0.518 1.203 1.00 0.00 C ATOM 196 NH1 ARG A 16 11.846 -0.251 0.434 1.00 0.00 N ATOM 197 NH2 ARG A 16 11.449 1.772 1.442 1.00 0.00 N ATOM 0 H ARG A 16 6.758 -0.818 -2.069 1.00 0.00 H new ATOM 0 HA ARG A 16 9.449 -0.967 -3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.379 -1.909 -1.012 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.003 -0.201 -0.898 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.858 -0.766 0.250 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.275 -2.466 0.168 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.878 -1.635 2.364 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.350 -2.006 1.487 1.00 0.00 H new ATOM 0 HE ARG A 16 9.405 0.655 2.316 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.570 -1.215 0.246 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.705 0.122 0.030 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.867 2.367 2.031 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.309 2.141 1.036 1.00 0.00 H new ATOM 211 N ASN A 17 8.878 -3.313 -3.621 1.00 0.00 N ATOM 212 CA ASN A 17 8.532 -4.685 -3.973 1.00 0.00 C ATOM 213 C ASN A 17 8.595 -5.593 -2.749 1.00 0.00 C ATOM 214 O ASN A 17 9.637 -5.711 -2.105 1.00 0.00 O ATOM 215 CB ASN A 17 9.476 -5.208 -5.059 1.00 0.00 C ATOM 216 CG ASN A 17 10.756 -5.783 -4.484 1.00 0.00 C ATOM 217 OD1 ASN A 17 10.999 -6.987 -4.564 1.00 0.00 O ATOM 218 ND2 ASN A 17 11.582 -4.922 -3.901 1.00 0.00 N ATOM 0 H ASN A 17 9.552 -2.873 -4.248 1.00 0.00 H new ATOM 0 HA ASN A 17 7.511 -4.690 -4.355 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.966 -5.975 -5.642 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.721 -4.397 -5.745 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.459 -5.251 -3.497 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.340 -3.932 -3.858 1.00 0.00 H new ATOM 225 N GLU A 18 7.473 -6.233 -2.435 1.00 0.00 N ATOM 226 CA GLU A 18 7.401 -7.131 -1.288 1.00 0.00 C ATOM 227 C GLU A 18 6.971 -8.530 -1.718 1.00 0.00 C ATOM 228 O GLU A 18 6.658 -8.763 -2.886 1.00 0.00 O ATOM 229 CB GLU A 18 6.424 -6.584 -0.245 1.00 0.00 C ATOM 230 CG GLU A 18 4.964 -6.799 -0.606 1.00 0.00 C ATOM 231 CD GLU A 18 4.038 -6.627 0.582 1.00 0.00 C ATOM 232 OE1 GLU A 18 4.499 -6.825 1.726 1.00 0.00 O ATOM 233 OE2 GLU A 18 2.853 -6.296 0.368 1.00 0.00 O ATOM 0 H GLU A 18 6.602 -6.146 -2.958 1.00 0.00 H new ATOM 0 HA GLU A 18 8.396 -7.195 -0.846 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.626 -7.060 0.714 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.604 -5.517 -0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.680 -6.095 -1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.839 -7.801 -1.017 1.00 0.00 H new ATOM 240 N GLU A 19 6.960 -9.458 -0.767 1.00 0.00 N ATOM 241 CA GLU A 19 6.570 -10.835 -1.047 1.00 0.00 C ATOM 242 C GLU A 19 5.402 -11.261 -0.163 1.00 0.00 C ATOM 243 O GLU A 19 5.073 -10.591 0.815 1.00 0.00 O ATOM 244 CB GLU A 19 7.756 -11.778 -0.834 1.00 0.00 C ATOM 245 CG GLU A 19 8.812 -11.685 -1.922 1.00 0.00 C ATOM 246 CD GLU A 19 10.139 -12.284 -1.501 1.00 0.00 C ATOM 247 OE1 GLU A 19 10.132 -13.388 -0.917 1.00 0.00 O ATOM 248 OE2 GLU A 19 11.185 -11.650 -1.754 1.00 0.00 O ATOM 0 H GLU A 19 7.217 -9.282 0.204 1.00 0.00 H new ATOM 0 HA GLU A 19 6.253 -10.891 -2.088 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.218 -11.556 0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.389 -12.803 -0.782 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.454 -12.197 -2.815 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.959 -10.639 -2.192 1.00 0.00 H new ATOM 255 N ALA A 20 4.778 -12.380 -0.516 1.00 0.00 N ATOM 256 CA ALA A 20 3.647 -12.897 0.245 1.00 0.00 C ATOM 257 C ALA A 20 3.280 -14.307 -0.205 1.00 0.00 C ATOM 258 O ALA A 20 3.715 -14.765 -1.262 1.00 0.00 O ATOM 259 CB ALA A 20 2.449 -11.969 0.107 1.00 0.00 C ATOM 0 H ALA A 20 5.037 -12.946 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 20 3.939 -12.943 1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.612 -12.368 0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.709 -10.980 0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.166 -11.894 -0.943 1.00 0.00 H new ATOM 265 N VAL A 21 2.479 -14.992 0.604 1.00 0.00 N ATOM 266 CA VAL A 21 2.053 -16.350 0.289 1.00 0.00 C ATOM 267 C VAL A 21 0.572 -16.393 -0.071 1.00 0.00 C ATOM 268 O VAL A 21 -0.238 -15.673 0.511 1.00 0.00 O ATOM 269 CB VAL A 21 2.312 -17.308 1.467 1.00 0.00 C ATOM 270 CG1 VAL A 21 1.837 -18.712 1.129 1.00 0.00 C ATOM 271 CG2 VAL A 21 3.787 -17.310 1.837 1.00 0.00 C ATOM 0 H VAL A 21 2.112 -14.628 1.483 1.00 0.00 H new ATOM 0 HA VAL A 21 2.642 -16.674 -0.569 1.00 0.00 H new ATOM 0 HB VAL A 21 1.745 -16.957 2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.029 -19.374 1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.768 -18.693 0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.374 -19.077 0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.952 -17.992 2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.377 -17.635 0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.091 -16.304 2.126 1.00 0.00 H new ATOM 281 N GLU A 22 0.227 -17.243 -1.033 1.00 0.00 N ATOM 282 CA GLU A 22 -1.158 -17.379 -1.470 1.00 0.00 C ATOM 283 C GLU A 22 -2.104 -17.423 -0.274 1.00 0.00 C ATOM 284 O GLU A 22 -1.777 -17.986 0.770 1.00 0.00 O ATOM 285 CB GLU A 22 -1.327 -18.643 -2.316 1.00 0.00 C ATOM 286 CG GLU A 22 -0.856 -18.482 -3.751 1.00 0.00 C ATOM 287 CD GLU A 22 -1.605 -19.382 -4.715 1.00 0.00 C ATOM 288 OE1 GLU A 22 -1.199 -20.553 -4.869 1.00 0.00 O ATOM 289 OE2 GLU A 22 -2.596 -18.916 -5.315 1.00 0.00 O ATOM 0 H GLU A 22 0.886 -17.847 -1.524 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.408 -16.509 -2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.774 -19.458 -1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.378 -18.931 -2.318 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.982 -17.443 -4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.210 -18.703 -3.807 1.00 0.00 H new ATOM 296 N GLY A 23 -3.280 -16.824 -0.435 1.00 0.00 N ATOM 297 CA GLY A 23 -4.256 -16.805 0.639 1.00 0.00 C ATOM 298 C GLY A 23 -3.975 -15.721 1.660 1.00 0.00 C ATOM 299 O GLY A 23 -4.896 -15.078 2.162 1.00 0.00 O ATOM 0 H GLY A 23 -3.574 -16.352 -1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.251 -16.655 0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.263 -17.775 1.136 1.00 0.00 H new ATOM 303 N ALA A 24 -2.698 -15.518 1.968 1.00 0.00 N ATOM 304 CA ALA A 24 -2.298 -14.503 2.935 1.00 0.00 C ATOM 305 C ALA A 24 -2.773 -13.119 2.508 1.00 0.00 C ATOM 306 O ALA A 24 -3.453 -12.971 1.491 1.00 0.00 O ATOM 307 CB ALA A 24 -0.787 -14.512 3.115 1.00 0.00 C ATOM 0 H ALA A 24 -1.923 -16.043 1.562 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.769 -14.741 3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.502 -13.749 3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.469 -15.491 3.475 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.306 -14.303 2.160 1.00 0.00 H new ATOM 313 N THR A 25 -2.413 -12.106 3.290 1.00 0.00 N ATOM 314 CA THR A 25 -2.804 -10.734 2.993 1.00 0.00 C ATOM 315 C THR A 25 -1.582 -9.844 2.794 1.00 0.00 C ATOM 316 O THR A 25 -0.825 -9.596 3.732 1.00 0.00 O ATOM 317 CB THR A 25 -3.678 -10.144 4.116 1.00 0.00 C ATOM 318 OG1 THR A 25 -4.789 -11.008 4.378 1.00 0.00 O ATOM 319 CG2 THR A 25 -4.184 -8.760 3.737 1.00 0.00 C ATOM 0 H THR A 25 -1.851 -12.210 4.135 1.00 0.00 H new ATOM 0 HA THR A 25 -3.382 -10.763 2.070 1.00 0.00 H new ATOM 0 HB THR A 25 -3.067 -10.057 5.014 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.338 -10.626 5.094 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.799 -8.363 4.545 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.336 -8.097 3.567 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.780 -8.827 2.827 1.00 0.00 H new ATOM 327 N ALA A 26 -1.397 -9.367 1.568 1.00 0.00 N ATOM 328 CA ALA A 26 -0.268 -8.503 1.247 1.00 0.00 C ATOM 329 C ALA A 26 -0.224 -7.292 2.173 1.00 0.00 C ATOM 330 O ALA A 26 -1.249 -6.870 2.708 1.00 0.00 O ATOM 331 CB ALA A 26 -0.340 -8.057 -0.206 1.00 0.00 C ATOM 0 H ALA A 26 -2.015 -9.564 0.780 1.00 0.00 H new ATOM 0 HA ALA A 26 0.649 -9.074 1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.510 -7.412 -0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.315 -8.931 -0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.267 -7.508 -0.372 1.00 0.00 H new ATOM 337 N MET A 27 0.970 -6.737 2.357 1.00 0.00 N ATOM 338 CA MET A 27 1.146 -5.573 3.219 1.00 0.00 C ATOM 339 C MET A 27 1.992 -4.508 2.527 1.00 0.00 C ATOM 340 O MET A 27 3.221 -4.592 2.509 1.00 0.00 O ATOM 341 CB MET A 27 1.801 -5.984 4.539 1.00 0.00 C ATOM 342 CG MET A 27 2.251 -4.805 5.387 1.00 0.00 C ATOM 343 SD MET A 27 0.906 -4.092 6.353 1.00 0.00 S ATOM 344 CE MET A 27 0.420 -2.726 5.302 1.00 0.00 C ATOM 0 H MET A 27 1.829 -7.074 1.922 1.00 0.00 H new ATOM 0 HA MET A 27 0.162 -5.152 3.426 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.096 -6.586 5.113 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.662 -6.618 4.326 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.045 -5.128 6.060 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.675 -4.037 4.740 1.00 0.00 H new ATOM 0 HE1 MET A 27 0.671 -1.784 5.790 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.948 -2.793 4.351 1.00 0.00 H new ATOM 0 HE3 MET A 27 -0.655 -2.768 5.125 1.00 0.00 H new ATOM 354 N LEU A 28 1.327 -3.508 1.960 1.00 0.00 N ATOM 355 CA LEU A 28 2.018 -2.426 1.267 1.00 0.00 C ATOM 356 C LEU A 28 1.868 -1.111 2.024 1.00 0.00 C ATOM 357 O LEU A 28 0.758 -0.702 2.364 1.00 0.00 O ATOM 358 CB LEU A 28 1.473 -2.275 -0.155 1.00 0.00 C ATOM 359 CG LEU A 28 1.732 -3.447 -1.102 1.00 0.00 C ATOM 360 CD1 LEU A 28 0.681 -3.489 -2.200 1.00 0.00 C ATOM 361 CD2 LEU A 28 3.128 -3.350 -1.701 1.00 0.00 C ATOM 0 H LEU A 28 0.311 -3.424 1.966 1.00 0.00 H new ATOM 0 HA LEU A 28 3.078 -2.677 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.397 -2.114 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.906 -1.376 -0.595 1.00 0.00 H new ATOM 0 HG LEU A 28 1.667 -4.372 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.882 -4.330 -2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.307 -3.607 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.713 -2.561 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.295 -4.192 -2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.221 -2.418 -2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.869 -3.370 -0.902 1.00 0.00 H new ATOM 373 N TRP A 29 2.992 -0.452 2.284 1.00 0.00 N ATOM 374 CA TRP A 29 2.985 0.819 2.999 1.00 0.00 C ATOM 375 C TRP A 29 3.890 1.835 2.311 1.00 0.00 C ATOM 376 O TRP A 29 4.867 1.468 1.658 1.00 0.00 O ATOM 377 CB TRP A 29 3.435 0.615 4.447 1.00 0.00 C ATOM 378 CG TRP A 29 4.902 0.343 4.580 1.00 0.00 C ATOM 379 CD1 TRP A 29 5.509 -0.880 4.620 1.00 0.00 C ATOM 380 CD2 TRP A 29 5.947 1.316 4.693 1.00 0.00 C ATOM 381 NE1 TRP A 29 6.868 -0.726 4.752 1.00 0.00 N ATOM 382 CE2 TRP A 29 7.162 0.611 4.798 1.00 0.00 C ATOM 383 CE3 TRP A 29 5.974 2.713 4.715 1.00 0.00 C ATOM 384 CZ2 TRP A 29 8.389 1.258 4.922 1.00 0.00 C ATOM 385 CZ3 TRP A 29 7.192 3.353 4.839 1.00 0.00 C ATOM 386 CH2 TRP A 29 8.386 2.626 4.941 1.00 0.00 C ATOM 0 H TRP A 29 3.919 -0.777 2.010 1.00 0.00 H new ATOM 0 HA TRP A 29 1.966 1.206 2.993 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.183 1.503 5.027 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.878 -0.216 4.879 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.996 -1.828 4.557 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.548 -1.484 4.807 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.059 3.282 4.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 9.310 0.700 5.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 7.225 4.432 4.858 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.322 3.156 5.036 1.00 0.00 H new ATOM 397 N CYS A 30 3.558 3.113 2.462 1.00 0.00 N ATOM 398 CA CYS A 30 4.341 4.183 1.854 1.00 0.00 C ATOM 399 C CYS A 30 4.323 5.433 2.727 1.00 0.00 C ATOM 400 O CYS A 30 3.281 5.812 3.262 1.00 0.00 O ATOM 401 CB CYS A 30 3.801 4.510 0.461 1.00 0.00 C ATOM 402 SG CYS A 30 2.004 4.696 0.391 1.00 0.00 S ATOM 0 H CYS A 30 2.753 3.433 3.000 1.00 0.00 H new ATOM 0 HA CYS A 30 5.372 3.840 1.764 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.265 5.432 0.110 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.101 3.720 -0.228 1.00 0.00 H new ATOM 0 HG CYS A 30 1.449 3.523 0.304 1.00 0.00 H new ATOM 408 N GLU A 31 5.482 6.069 2.867 1.00 0.00 N ATOM 409 CA GLU A 31 5.598 7.275 3.677 1.00 0.00 C ATOM 410 C GLU A 31 5.792 8.506 2.796 1.00 0.00 C ATOM 411 O GLU A 31 6.717 8.564 1.985 1.00 0.00 O ATOM 412 CB GLU A 31 6.766 7.147 4.657 1.00 0.00 C ATOM 413 CG GLU A 31 6.374 6.548 5.997 1.00 0.00 C ATOM 414 CD GLU A 31 7.567 6.030 6.776 1.00 0.00 C ATOM 415 OE1 GLU A 31 8.574 6.761 6.873 1.00 0.00 O ATOM 416 OE2 GLU A 31 7.494 4.893 7.289 1.00 0.00 O ATOM 0 H GLU A 31 6.353 5.769 2.430 1.00 0.00 H new ATOM 0 HA GLU A 31 4.672 7.394 4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.542 6.529 4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.200 8.133 4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.857 7.302 6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.669 5.732 5.834 1.00 0.00 H new ATOM 423 N LEU A 32 4.913 9.488 2.960 1.00 0.00 N ATOM 424 CA LEU A 32 4.985 10.718 2.180 1.00 0.00 C ATOM 425 C LEU A 32 5.531 11.866 3.023 1.00 0.00 C ATOM 426 O LEU A 32 5.769 11.712 4.221 1.00 0.00 O ATOM 427 CB LEU A 32 3.603 11.083 1.636 1.00 0.00 C ATOM 428 CG LEU A 32 2.838 9.957 0.939 1.00 0.00 C ATOM 429 CD1 LEU A 32 2.130 9.080 1.960 1.00 0.00 C ATOM 430 CD2 LEU A 32 1.840 10.529 -0.059 1.00 0.00 C ATOM 0 H LEU A 32 4.142 9.456 3.627 1.00 0.00 H new ATOM 0 HA LEU A 32 5.664 10.549 1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.995 11.451 2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.718 11.907 0.932 1.00 0.00 H new ATOM 0 HG LEU A 32 3.553 9.340 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.591 8.285 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.865 8.642 2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.426 9.684 2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.304 9.714 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.129 11.169 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.371 11.114 -0.810 1.00 0.00 H new ATOM 442 N SER A 33 5.726 13.019 2.389 1.00 0.00 N ATOM 443 CA SER A 33 6.245 14.193 3.081 1.00 0.00 C ATOM 444 C SER A 33 5.223 14.733 4.076 1.00 0.00 C ATOM 445 O SER A 33 5.580 15.387 5.057 1.00 0.00 O ATOM 446 CB SER A 33 6.617 15.282 2.072 1.00 0.00 C ATOM 447 OG SER A 33 5.470 16.000 1.652 1.00 0.00 O ATOM 0 H SER A 33 5.532 13.165 1.398 1.00 0.00 H new ATOM 0 HA SER A 33 7.138 13.896 3.630 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.335 15.968 2.521 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.104 14.831 1.208 1.00 0.00 H new ATOM 0 HG SER A 33 5.734 16.691 1.009 1.00 0.00 H new ATOM 453 N LYS A 34 3.950 14.456 3.817 1.00 0.00 N ATOM 454 CA LYS A 34 2.874 14.911 4.689 1.00 0.00 C ATOM 455 C LYS A 34 1.623 14.061 4.499 1.00 0.00 C ATOM 456 O LYS A 34 1.397 13.501 3.427 1.00 0.00 O ATOM 457 CB LYS A 34 2.552 16.381 4.410 1.00 0.00 C ATOM 458 CG LYS A 34 2.048 16.636 3.000 1.00 0.00 C ATOM 459 CD LYS A 34 0.536 16.519 2.919 1.00 0.00 C ATOM 460 CE LYS A 34 -0.022 17.311 1.746 1.00 0.00 C ATOM 461 NZ LYS A 34 -1.510 17.267 1.704 1.00 0.00 N ATOM 0 H LYS A 34 3.638 13.918 3.009 1.00 0.00 H new ATOM 0 HA LYS A 34 3.208 14.808 5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.801 16.721 5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.447 16.979 4.581 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.355 17.631 2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.506 15.923 2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.256 15.470 2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.092 16.879 3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.309 18.347 1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.379 16.912 0.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.841 17.607 0.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.833 16.289 1.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.897 17.874 2.455 1.00 0.00 H new ATOM 475 N VAL A 35 0.810 13.969 5.548 1.00 0.00 N ATOM 476 CA VAL A 35 -0.420 13.189 5.495 1.00 0.00 C ATOM 477 C VAL A 35 -1.281 13.599 4.306 1.00 0.00 C ATOM 478 O VAL A 35 -1.758 14.732 4.233 1.00 0.00 O ATOM 479 CB VAL A 35 -1.241 13.348 6.789 1.00 0.00 C ATOM 480 CG1 VAL A 35 -2.431 12.400 6.786 1.00 0.00 C ATOM 481 CG2 VAL A 35 -0.364 13.112 8.009 1.00 0.00 C ATOM 0 H VAL A 35 0.982 14.425 6.444 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.128 12.145 5.384 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.620 14.369 6.835 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.999 12.526 7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.071 12.622 5.932 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.077 11.372 6.716 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.960 13.228 8.914 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.047 12.103 7.972 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.451 13.835 8.016 1.00 0.00 H new ATOM 491 N ALA A 36 -1.477 12.671 3.375 1.00 0.00 N ATOM 492 CA ALA A 36 -2.283 12.935 2.190 1.00 0.00 C ATOM 493 C ALA A 36 -3.027 11.682 1.742 1.00 0.00 C ATOM 494 O ALA A 36 -2.564 10.556 1.925 1.00 0.00 O ATOM 495 CB ALA A 36 -1.407 13.462 1.063 1.00 0.00 C ATOM 0 H ALA A 36 -1.088 11.729 3.419 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.023 13.693 2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.022 13.655 0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.925 14.387 1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.645 12.722 0.818 1.00 0.00 H new ATOM 501 N PRO A 37 -4.210 11.879 1.140 1.00 0.00 N ATOM 502 CA PRO A 37 -5.044 10.776 0.654 1.00 0.00 C ATOM 503 C PRO A 37 -4.434 10.078 -0.557 1.00 0.00 C ATOM 504 O PRO A 37 -4.283 10.678 -1.621 1.00 0.00 O ATOM 505 CB PRO A 37 -6.355 11.466 0.269 1.00 0.00 C ATOM 506 CG PRO A 37 -5.969 12.873 -0.032 1.00 0.00 C ATOM 507 CD PRO A 37 -4.824 13.194 0.888 1.00 0.00 C ATOM 0 HA PRO A 37 -5.162 9.993 1.403 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.815 10.988 -0.596 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.080 11.420 1.082 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.673 12.982 -1.076 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.806 13.551 0.135 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.119 13.885 0.426 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.169 13.660 1.811 1.00 0.00 H new ATOM 515 N VAL A 38 -4.084 8.807 -0.387 1.00 0.00 N ATOM 516 CA VAL A 38 -3.492 8.027 -1.467 1.00 0.00 C ATOM 517 C VAL A 38 -4.537 7.155 -2.153 1.00 0.00 C ATOM 518 O VAL A 38 -5.636 6.963 -1.634 1.00 0.00 O ATOM 519 CB VAL A 38 -2.350 7.130 -0.951 1.00 0.00 C ATOM 520 CG1 VAL A 38 -1.241 7.975 -0.343 1.00 0.00 C ATOM 521 CG2 VAL A 38 -2.880 6.123 0.059 1.00 0.00 C ATOM 0 H VAL A 38 -4.200 8.296 0.488 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.089 8.739 -2.187 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.933 6.579 -1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.443 7.325 0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.844 8.653 -1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.640 8.554 0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.061 5.497 0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.323 6.652 0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.636 5.497 -0.414 1.00 0.00 H new ATOM 531 N GLU A 39 -4.187 6.629 -3.323 1.00 0.00 N ATOM 532 CA GLU A 39 -5.096 5.777 -4.080 1.00 0.00 C ATOM 533 C GLU A 39 -4.382 4.522 -4.573 1.00 0.00 C ATOM 534 O GLU A 39 -3.527 4.587 -5.455 1.00 0.00 O ATOM 535 CB GLU A 39 -5.679 6.545 -5.268 1.00 0.00 C ATOM 536 CG GLU A 39 -6.173 7.937 -4.910 1.00 0.00 C ATOM 537 CD GLU A 39 -7.252 8.433 -5.852 1.00 0.00 C ATOM 538 OE1 GLU A 39 -8.380 7.899 -5.797 1.00 0.00 O ATOM 539 OE2 GLU A 39 -6.969 9.356 -6.645 1.00 0.00 O ATOM 0 H GLU A 39 -3.281 6.778 -3.767 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.907 5.476 -3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.919 6.627 -6.045 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.505 5.973 -5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.560 7.930 -3.891 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.333 8.632 -4.927 1.00 0.00 H new ATOM 546 N TRP A 40 -4.740 3.380 -3.995 1.00 0.00 N ATOM 547 CA TRP A 40 -4.133 2.109 -4.375 1.00 0.00 C ATOM 548 C TRP A 40 -4.848 1.503 -5.577 1.00 0.00 C ATOM 549 O TRP A 40 -6.076 1.429 -5.609 1.00 0.00 O ATOM 550 CB TRP A 40 -4.169 1.132 -3.198 1.00 0.00 C ATOM 551 CG TRP A 40 -3.620 1.710 -1.929 1.00 0.00 C ATOM 552 CD1 TRP A 40 -4.274 2.522 -1.048 1.00 0.00 C ATOM 553 CD2 TRP A 40 -2.302 1.520 -1.402 1.00 0.00 C ATOM 554 NE1 TRP A 40 -3.442 2.849 -0.004 1.00 0.00 N ATOM 555 CE2 TRP A 40 -2.228 2.246 -0.197 1.00 0.00 C ATOM 556 CE3 TRP A 40 -1.179 0.806 -1.828 1.00 0.00 C ATOM 557 CZ2 TRP A 40 -1.074 2.279 0.582 1.00 0.00 C ATOM 558 CZ3 TRP A 40 -0.035 0.840 -1.054 1.00 0.00 C ATOM 559 CH2 TRP A 40 0.010 1.571 0.140 1.00 0.00 C ATOM 0 H TRP A 40 -5.446 3.308 -3.263 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.095 2.297 -4.650 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.198 0.816 -3.029 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.600 0.240 -3.458 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.295 2.858 -1.155 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.689 3.444 0.786 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.205 0.238 -2.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.036 2.843 1.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.840 0.294 -1.375 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.919 1.576 0.723 1.00 0.00 H new ATOM 570 N ARG A 41 -4.071 1.070 -6.565 1.00 0.00 N ATOM 571 CA ARG A 41 -4.631 0.471 -7.771 1.00 0.00 C ATOM 572 C ARG A 41 -3.691 -0.590 -8.337 1.00 0.00 C ATOM 573 O ARG A 41 -2.473 -0.502 -8.183 1.00 0.00 O ATOM 574 CB ARG A 41 -4.897 1.547 -8.825 1.00 0.00 C ATOM 575 CG ARG A 41 -6.196 2.307 -8.605 1.00 0.00 C ATOM 576 CD ARG A 41 -6.193 3.639 -9.338 1.00 0.00 C ATOM 577 NE ARG A 41 -7.543 4.162 -9.528 1.00 0.00 N ATOM 578 CZ ARG A 41 -7.806 5.438 -9.789 1.00 0.00 C ATOM 579 NH1 ARG A 41 -6.818 6.315 -9.892 1.00 0.00 N ATOM 580 NH2 ARG A 41 -9.062 5.838 -9.949 1.00 0.00 N ATOM 0 H ARG A 41 -3.052 1.123 -6.554 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.574 -0.007 -7.505 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.068 2.254 -8.827 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.921 1.081 -9.810 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.035 1.703 -8.950 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.343 2.478 -7.539 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.600 4.361 -8.776 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.711 3.518 -10.308 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.326 3.513 -9.457 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.852 6.011 -9.771 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.024 7.294 -10.092 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.825 5.166 -9.872 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.264 6.818 -10.149 1.00 0.00 H new ATOM 594 N LYS A 42 -4.266 -1.592 -8.993 1.00 0.00 N ATOM 595 CA LYS A 42 -3.482 -2.670 -9.584 1.00 0.00 C ATOM 596 C LYS A 42 -3.627 -2.679 -11.102 1.00 0.00 C ATOM 597 O LYS A 42 -4.454 -3.404 -11.652 1.00 0.00 O ATOM 598 CB LYS A 42 -3.919 -4.020 -9.011 1.00 0.00 C ATOM 599 CG LYS A 42 -3.088 -5.190 -9.508 1.00 0.00 C ATOM 600 CD LYS A 42 -3.430 -6.472 -8.768 1.00 0.00 C ATOM 601 CE LYS A 42 -2.829 -7.689 -9.454 1.00 0.00 C ATOM 602 NZ LYS A 42 -3.373 -7.877 -10.827 1.00 0.00 N ATOM 0 H LYS A 42 -5.273 -1.680 -9.129 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.434 -2.500 -9.338 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.860 -3.980 -7.923 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.964 -4.193 -9.267 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.257 -5.329 -10.576 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.029 -4.966 -9.379 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.062 -6.411 -7.744 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.513 -6.583 -8.711 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.746 -7.579 -9.505 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.032 -8.579 -8.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.234 -8.864 -11.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.389 -7.654 -10.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.877 -7.244 -11.487 1.00 0.00 H new ATOM 616 N GLY A 43 -2.815 -1.869 -11.775 1.00 0.00 N ATOM 617 CA GLY A 43 -2.868 -1.801 -13.224 1.00 0.00 C ATOM 618 C GLY A 43 -4.277 -1.588 -13.743 1.00 0.00 C ATOM 619 O GLY A 43 -4.913 -0.569 -13.474 1.00 0.00 O ATOM 0 H GLY A 43 -2.121 -1.259 -11.343 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.230 -0.988 -13.570 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.465 -2.723 -13.643 1.00 0.00 H new ATOM 623 N PRO A 44 -4.784 -2.567 -14.507 1.00 0.00 N ATOM 624 CA PRO A 44 -6.131 -2.504 -15.082 1.00 0.00 C ATOM 625 C PRO A 44 -7.220 -2.634 -14.023 1.00 0.00 C ATOM 626 O PRO A 44 -8.377 -2.292 -14.265 1.00 0.00 O ATOM 627 CB PRO A 44 -6.166 -3.702 -16.034 1.00 0.00 C ATOM 628 CG PRO A 44 -5.163 -4.655 -15.481 1.00 0.00 C ATOM 629 CD PRO A 44 -4.081 -3.809 -14.869 1.00 0.00 C ATOM 0 HA PRO A 44 -6.322 -1.548 -15.570 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -7.159 -4.150 -16.071 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.912 -3.406 -17.052 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.616 -5.309 -14.736 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.760 -5.296 -16.265 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.640 -4.290 -13.996 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.271 -3.622 -15.573 1.00 0.00 H new ATOM 637 N GLU A 45 -6.841 -3.130 -12.849 1.00 0.00 N ATOM 638 CA GLU A 45 -7.787 -3.304 -11.753 1.00 0.00 C ATOM 639 C GLU A 45 -7.887 -2.034 -10.913 1.00 0.00 C ATOM 640 O GLU A 45 -7.252 -1.025 -11.217 1.00 0.00 O ATOM 641 CB GLU A 45 -7.367 -4.481 -10.870 1.00 0.00 C ATOM 642 CG GLU A 45 -7.957 -5.811 -11.307 1.00 0.00 C ATOM 643 CD GLU A 45 -7.797 -6.894 -10.258 1.00 0.00 C ATOM 644 OE1 GLU A 45 -6.643 -7.203 -9.894 1.00 0.00 O ATOM 645 OE2 GLU A 45 -8.827 -7.432 -9.800 1.00 0.00 O ATOM 0 H GLU A 45 -5.887 -3.418 -12.633 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.767 -3.512 -12.183 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.280 -4.557 -10.873 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.669 -4.279 -9.842 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.016 -5.679 -11.529 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.476 -6.132 -12.231 1.00 0.00 H new ATOM 652 N ASN A 46 -8.691 -2.092 -9.856 1.00 0.00 N ATOM 653 CA ASN A 46 -8.876 -0.947 -8.972 1.00 0.00 C ATOM 654 C ASN A 46 -8.952 -1.391 -7.515 1.00 0.00 C ATOM 655 O ASN A 46 -9.599 -2.388 -7.191 1.00 0.00 O ATOM 656 CB ASN A 46 -10.146 -0.184 -9.352 1.00 0.00 C ATOM 657 CG ASN A 46 -11.221 -1.093 -9.915 1.00 0.00 C ATOM 658 OD1 ASN A 46 -11.651 -2.065 -9.118 1.00 0.00 O flip ATOM 659 ND2 ASN A 46 -11.659 -0.925 -11.053 1.00 0.00 N flip ATOM 0 H ASN A 46 -9.225 -2.920 -9.591 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.016 -0.288 -9.087 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.534 0.331 -8.473 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.900 0.582 -10.088 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.300 -0.165 -11.631 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.381 -1.546 -11.418 1.00 0.00 H new ATOM 666 N LEU A 47 -8.288 -0.645 -6.639 1.00 0.00 N ATOM 667 CA LEU A 47 -8.281 -0.961 -5.215 1.00 0.00 C ATOM 668 C LEU A 47 -8.648 0.265 -4.384 1.00 0.00 C ATOM 669 O LEU A 47 -8.314 1.394 -4.744 1.00 0.00 O ATOM 670 CB LEU A 47 -6.906 -1.483 -4.795 1.00 0.00 C ATOM 671 CG LEU A 47 -6.178 -2.355 -5.819 1.00 0.00 C ATOM 672 CD1 LEU A 47 -4.766 -2.666 -5.348 1.00 0.00 C ATOM 673 CD2 LEU A 47 -6.953 -3.641 -6.071 1.00 0.00 C ATOM 0 H LEU A 47 -7.748 0.183 -6.890 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.027 -1.735 -5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.272 -0.629 -4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.023 -2.057 -3.876 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.113 -1.803 -6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.264 -3.287 -6.089 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.212 -1.736 -5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.808 -3.198 -4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.421 -4.249 -6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.049 -4.196 -5.138 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.945 -3.399 -6.453 1.00 0.00 H new ATOM 685 N ARG A 48 -9.333 0.034 -3.269 1.00 0.00 N ATOM 686 CA ARG A 48 -9.744 1.119 -2.386 1.00 0.00 C ATOM 687 C ARG A 48 -10.275 0.572 -1.064 1.00 0.00 C ATOM 688 O ARG A 48 -10.508 -0.629 -0.926 1.00 0.00 O ATOM 689 CB ARG A 48 -10.814 1.978 -3.062 1.00 0.00 C ATOM 690 CG ARG A 48 -12.040 1.192 -3.498 1.00 0.00 C ATOM 691 CD ARG A 48 -11.902 0.693 -4.928 1.00 0.00 C ATOM 692 NE ARG A 48 -12.651 -0.540 -5.153 1.00 0.00 N ATOM 693 CZ ARG A 48 -12.963 -1.001 -6.359 1.00 0.00 C ATOM 694 NH1 ARG A 48 -12.591 -0.336 -7.443 1.00 0.00 N ATOM 695 NH2 ARG A 48 -13.647 -2.131 -6.481 1.00 0.00 N ATOM 0 H ARG A 48 -9.615 -0.895 -2.956 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.870 1.737 -2.179 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.123 2.766 -2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.378 2.468 -3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.187 0.345 -2.828 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.926 1.822 -3.415 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -12.255 1.462 -5.616 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.849 0.523 -5.153 1.00 0.00 H new ATOM 0 HE ARG A 48 -12.951 -1.077 -4.339 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.064 0.532 -7.353 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -12.832 -0.692 -8.368 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -13.934 -2.646 -5.649 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.886 -2.485 -7.407 1.00 0.00 H new ATOM 709 N ASP A 49 -10.464 1.461 -0.095 1.00 0.00 N ATOM 710 CA ASP A 49 -10.968 1.069 1.215 1.00 0.00 C ATOM 711 C ASP A 49 -12.418 0.603 1.123 1.00 0.00 C ATOM 712 O ASP A 49 -13.310 1.379 0.783 1.00 0.00 O ATOM 713 CB ASP A 49 -10.856 2.235 2.199 1.00 0.00 C ATOM 714 CG ASP A 49 -12.094 3.111 2.201 1.00 0.00 C ATOM 715 OD1 ASP A 49 -12.210 3.974 1.306 1.00 0.00 O ATOM 716 OD2 ASP A 49 -12.945 2.934 3.098 1.00 0.00 O ATOM 0 H ASP A 49 -10.275 2.459 -0.193 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.361 0.239 1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.689 1.845 3.203 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.986 2.840 1.943 1.00 0.00 H new ATOM 721 N GLY A 50 -12.645 -0.672 1.427 1.00 0.00 N ATOM 722 CA GLY A 50 -13.988 -1.220 1.370 1.00 0.00 C ATOM 723 C GLY A 50 -14.173 -2.398 2.305 1.00 0.00 C ATOM 724 O GLY A 50 -14.032 -2.263 3.521 1.00 0.00 O ATOM 0 H GLY A 50 -11.923 -1.334 1.711 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.706 -0.441 1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.207 -1.533 0.349 1.00 0.00 H new ATOM 728 N ASP A 51 -14.491 -3.557 1.738 1.00 0.00 N ATOM 729 CA ASP A 51 -14.696 -4.765 2.529 1.00 0.00 C ATOM 730 C ASP A 51 -13.459 -5.656 2.491 1.00 0.00 C ATOM 731 O ASP A 51 -12.755 -5.800 3.491 1.00 0.00 O ATOM 732 CB ASP A 51 -15.912 -5.536 2.015 1.00 0.00 C ATOM 733 CG ASP A 51 -16.316 -6.666 2.942 1.00 0.00 C ATOM 734 OD1 ASP A 51 -15.789 -7.786 2.777 1.00 0.00 O ATOM 735 OD2 ASP A 51 -17.160 -6.429 3.832 1.00 0.00 O ATOM 0 H ASP A 51 -14.612 -3.685 0.733 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.875 -4.467 3.562 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -16.750 -4.850 1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.691 -5.941 1.028 1.00 0.00 H new ATOM 740 N ARG A 52 -13.201 -6.253 1.332 1.00 0.00 N ATOM 741 CA ARG A 52 -12.050 -7.132 1.165 1.00 0.00 C ATOM 742 C ARG A 52 -10.747 -6.343 1.245 1.00 0.00 C ATOM 743 O ARG A 52 -9.755 -6.818 1.800 1.00 0.00 O ATOM 744 CB ARG A 52 -12.133 -7.866 -0.175 1.00 0.00 C ATOM 745 CG ARG A 52 -12.155 -6.936 -1.378 1.00 0.00 C ATOM 746 CD ARG A 52 -12.933 -7.542 -2.536 1.00 0.00 C ATOM 747 NE ARG A 52 -14.375 -7.383 -2.368 1.00 0.00 N ATOM 748 CZ ARG A 52 -15.022 -6.247 -2.604 1.00 0.00 C ATOM 749 NH1 ARG A 52 -14.359 -5.176 -3.016 1.00 0.00 N ATOM 750 NH2 ARG A 52 -16.336 -6.181 -2.428 1.00 0.00 N ATOM 0 H ARG A 52 -13.773 -6.144 0.495 1.00 0.00 H new ATOM 0 HA ARG A 52 -12.062 -7.863 1.974 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.282 -8.541 -0.263 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.031 -8.483 -0.187 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.604 -5.984 -1.095 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.134 -6.725 -1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.622 -7.070 -3.468 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.692 -8.602 -2.620 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.915 -8.189 -2.052 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.349 -5.223 -3.153 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.858 -4.305 -3.196 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.850 -7.003 -2.111 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.832 -5.308 -2.610 1.00 0.00 H new ATOM 764 N TYR A 53 -10.756 -5.137 0.688 1.00 0.00 N ATOM 765 CA TYR A 53 -9.574 -4.283 0.695 1.00 0.00 C ATOM 766 C TYR A 53 -9.530 -3.423 1.954 1.00 0.00 C ATOM 767 O TYR A 53 -10.223 -2.410 2.051 1.00 0.00 O ATOM 768 CB TYR A 53 -9.557 -3.391 -0.547 1.00 0.00 C ATOM 769 CG TYR A 53 -9.348 -4.151 -1.837 1.00 0.00 C ATOM 770 CD1 TYR A 53 -8.092 -4.633 -2.186 1.00 0.00 C ATOM 771 CD2 TYR A 53 -10.405 -4.388 -2.707 1.00 0.00 C ATOM 772 CE1 TYR A 53 -7.896 -5.328 -3.364 1.00 0.00 C ATOM 773 CE2 TYR A 53 -10.218 -5.083 -3.886 1.00 0.00 C ATOM 774 CZ TYR A 53 -8.962 -5.551 -4.210 1.00 0.00 C ATOM 775 OH TYR A 53 -8.772 -6.242 -5.384 1.00 0.00 O ATOM 0 H TYR A 53 -11.569 -4.729 0.226 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.693 -4.925 0.685 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.499 -2.846 -0.605 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.766 -2.649 -0.440 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.255 -4.461 -1.525 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.390 -4.022 -2.457 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.913 -5.695 -3.621 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -11.051 -5.259 -4.550 1.00 0.00 H new ATOM 0 HH TYR A 53 -9.624 -6.313 -5.863 1.00 0.00 H new ATOM 785 N ILE A 54 -8.710 -3.835 2.915 1.00 0.00 N ATOM 786 CA ILE A 54 -8.574 -3.102 4.168 1.00 0.00 C ATOM 787 C ILE A 54 -7.506 -2.019 4.057 1.00 0.00 C ATOM 788 O ILE A 54 -6.315 -2.287 4.219 1.00 0.00 O ATOM 789 CB ILE A 54 -8.217 -4.042 5.334 1.00 0.00 C ATOM 790 CG1 ILE A 54 -9.277 -5.135 5.479 1.00 0.00 C ATOM 791 CG2 ILE A 54 -8.081 -3.253 6.628 1.00 0.00 C ATOM 792 CD1 ILE A 54 -8.832 -6.298 6.338 1.00 0.00 C ATOM 0 H ILE A 54 -8.130 -4.672 2.850 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.540 -2.638 4.369 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.260 -4.517 5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.179 -4.700 5.909 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.543 -5.506 4.489 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.828 -3.931 7.443 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.293 -2.508 6.519 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.024 -2.754 6.851 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.633 -7.035 6.397 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.948 -6.758 5.897 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.594 -5.940 7.340 1.00 0.00 H new ATOM 804 N LEU A 55 -7.940 -0.794 3.782 1.00 0.00 N ATOM 805 CA LEU A 55 -7.021 0.332 3.652 1.00 0.00 C ATOM 806 C LEU A 55 -6.992 1.162 4.931 1.00 0.00 C ATOM 807 O LEU A 55 -8.031 1.419 5.540 1.00 0.00 O ATOM 808 CB LEU A 55 -7.426 1.212 2.468 1.00 0.00 C ATOM 809 CG LEU A 55 -7.179 0.624 1.079 1.00 0.00 C ATOM 810 CD1 LEU A 55 -5.744 0.877 0.640 1.00 0.00 C ATOM 811 CD2 LEU A 55 -7.487 -0.866 1.067 1.00 0.00 C ATOM 0 H LEU A 55 -8.922 -0.555 3.645 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.021 -0.065 3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.487 1.443 2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.887 2.156 2.542 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.847 1.118 0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.586 0.451 -0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.557 1.950 0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.059 0.411 1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.305 -1.267 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.845 -1.376 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.531 -1.024 1.337 1.00 0.00 H new ATOM 823 N ARG A 56 -5.796 1.581 5.332 1.00 0.00 N ATOM 824 CA ARG A 56 -5.633 2.384 6.538 1.00 0.00 C ATOM 825 C ARG A 56 -4.614 3.498 6.316 1.00 0.00 C ATOM 826 O ARG A 56 -3.847 3.467 5.354 1.00 0.00 O ATOM 827 CB ARG A 56 -5.192 1.501 7.708 1.00 0.00 C ATOM 828 CG ARG A 56 -6.259 0.520 8.166 1.00 0.00 C ATOM 829 CD ARG A 56 -5.716 -0.449 9.204 1.00 0.00 C ATOM 830 NE ARG A 56 -6.781 -1.051 10.002 1.00 0.00 N ATOM 831 CZ ARG A 56 -7.479 -0.386 10.916 1.00 0.00 C ATOM 832 NH1 ARG A 56 -7.226 0.895 11.146 1.00 0.00 N ATOM 833 NH2 ARG A 56 -8.433 -1.003 11.601 1.00 0.00 N ATOM 0 H ARG A 56 -4.926 1.378 4.840 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.595 2.837 6.775 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.300 0.946 7.417 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.911 2.138 8.547 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.103 1.068 8.585 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.635 -0.037 7.308 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.149 -1.235 8.705 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.023 0.075 9.862 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.001 -2.035 9.849 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.494 1.373 10.621 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.764 1.403 11.848 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.631 -1.988 11.426 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.969 -0.492 12.303 1.00 0.00 H new ATOM 847 N GLN A 57 -4.613 4.479 7.212 1.00 0.00 N ATOM 848 CA GLN A 57 -3.689 5.603 7.113 1.00 0.00 C ATOM 849 C GLN A 57 -3.494 6.269 8.471 1.00 0.00 C ATOM 850 O GLN A 57 -4.426 6.846 9.029 1.00 0.00 O ATOM 851 CB GLN A 57 -4.205 6.626 6.100 1.00 0.00 C ATOM 852 CG GLN A 57 -3.187 7.698 5.745 1.00 0.00 C ATOM 853 CD GLN A 57 -3.723 8.703 4.744 1.00 0.00 C ATOM 854 OE1 GLN A 57 -4.913 8.710 4.430 1.00 0.00 O ATOM 855 NE2 GLN A 57 -2.844 9.560 4.238 1.00 0.00 N ATOM 0 H GLN A 57 -5.241 4.519 8.015 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.726 5.220 6.775 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.504 6.105 5.190 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.098 7.104 6.502 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.884 8.221 6.652 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.294 7.225 5.336 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.867 9.518 4.527 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.146 10.260 3.561 1.00 0.00 H new ATOM 864 N GLU A 58 -2.275 6.183 8.997 1.00 0.00 N ATOM 865 CA GLU A 58 -1.959 6.776 10.290 1.00 0.00 C ATOM 866 C GLU A 58 -1.155 8.061 10.117 1.00 0.00 C ATOM 867 O GLU A 58 -0.375 8.441 10.990 1.00 0.00 O ATOM 868 CB GLU A 58 -1.176 5.784 11.153 1.00 0.00 C ATOM 869 CG GLU A 58 -1.955 4.524 11.490 1.00 0.00 C ATOM 870 CD GLU A 58 -1.253 3.663 12.523 1.00 0.00 C ATOM 871 OE1 GLU A 58 -1.007 4.160 13.641 1.00 0.00 O ATOM 872 OE2 GLU A 58 -0.951 2.492 12.212 1.00 0.00 O ATOM 0 H GLU A 58 -1.492 5.709 8.547 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.897 7.019 10.789 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.260 5.506 10.632 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.879 6.276 12.079 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.942 4.800 11.862 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.108 3.942 10.581 1.00 0.00 H new ATOM 879 N GLY A 59 -1.352 8.727 8.983 1.00 0.00 N ATOM 880 CA GLY A 59 -0.638 9.962 8.715 1.00 0.00 C ATOM 881 C GLY A 59 0.153 9.906 7.423 1.00 0.00 C ATOM 882 O GLY A 59 -0.379 9.537 6.375 1.00 0.00 O ATOM 0 H GLY A 59 -1.993 8.434 8.246 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.350 10.786 8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.039 10.174 9.543 1.00 0.00 H new ATOM 886 N THR A 60 1.429 10.274 7.496 1.00 0.00 N ATOM 887 CA THR A 60 2.294 10.266 6.323 1.00 0.00 C ATOM 888 C THR A 60 2.524 8.846 5.819 1.00 0.00 C ATOM 889 O THR A 60 2.930 8.642 4.674 1.00 0.00 O ATOM 890 CB THR A 60 3.656 10.918 6.626 1.00 0.00 C ATOM 891 OG1 THR A 60 4.332 10.185 7.654 1.00 0.00 O ATOM 892 CG2 THR A 60 3.479 12.365 7.061 1.00 0.00 C ATOM 0 H THR A 60 1.886 10.581 8.355 1.00 0.00 H new ATOM 0 HA THR A 60 1.786 10.844 5.551 1.00 0.00 H new ATOM 0 HB THR A 60 4.253 10.900 5.714 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.198 10.605 7.840 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.455 12.804 7.269 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.991 12.927 6.265 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.865 12.402 7.961 1.00 0.00 H new ATOM 900 N ARG A 61 2.262 7.868 6.679 1.00 0.00 N ATOM 901 CA ARG A 61 2.441 6.466 6.320 1.00 0.00 C ATOM 902 C ARG A 61 1.097 5.802 6.034 1.00 0.00 C ATOM 903 O ARG A 61 0.139 5.968 6.790 1.00 0.00 O ATOM 904 CB ARG A 61 3.163 5.718 7.442 1.00 0.00 C ATOM 905 CG ARG A 61 3.243 4.217 7.220 1.00 0.00 C ATOM 906 CD ARG A 61 3.260 3.459 8.538 1.00 0.00 C ATOM 907 NE ARG A 61 3.792 2.108 8.386 1.00 0.00 N ATOM 908 CZ ARG A 61 4.206 1.362 9.405 1.00 0.00 C ATOM 909 NH1 ARG A 61 4.148 1.834 10.643 1.00 0.00 N ATOM 910 NH2 ARG A 61 4.678 0.141 9.186 1.00 0.00 N ATOM 0 H ARG A 61 1.925 8.020 7.630 1.00 0.00 H new ATOM 0 HA ARG A 61 3.048 6.423 5.415 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.173 6.116 7.542 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.650 5.911 8.384 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.392 3.891 6.622 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.142 3.980 6.651 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.862 4.006 9.263 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.248 3.407 8.939 1.00 0.00 H new ATOM 0 HE ARG A 61 3.849 1.715 7.446 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.785 2.772 10.815 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.466 1.259 11.423 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.723 -0.225 8.235 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.996 -0.431 9.969 1.00 0.00 H new ATOM 924 N CYS A 62 1.034 5.052 4.940 1.00 0.00 N ATOM 925 CA CYS A 62 -0.192 4.364 4.554 1.00 0.00 C ATOM 926 C CYS A 62 -0.035 2.853 4.693 1.00 0.00 C ATOM 927 O CYS A 62 1.064 2.353 4.932 1.00 0.00 O ATOM 928 CB CYS A 62 -0.570 4.719 3.115 1.00 0.00 C ATOM 929 SG CYS A 62 -0.477 6.486 2.742 1.00 0.00 S ATOM 0 H CYS A 62 1.818 4.905 4.304 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.988 4.691 5.222 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.088 4.180 2.434 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.584 4.370 2.921 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.647 6.913 2.370 1.00 0.00 H new ATOM 935 N GLU A 63 -1.142 2.132 4.544 1.00 0.00 N ATOM 936 CA GLU A 63 -1.126 0.678 4.655 1.00 0.00 C ATOM 937 C GLU A 63 -2.291 0.061 3.887 1.00 0.00 C ATOM 938 O GLU A 63 -3.454 0.377 4.141 1.00 0.00 O ATOM 939 CB GLU A 63 -1.190 0.256 6.125 1.00 0.00 C ATOM 940 CG GLU A 63 -0.025 0.769 6.956 1.00 0.00 C ATOM 941 CD GLU A 63 -0.088 0.303 8.398 1.00 0.00 C ATOM 942 OE1 GLU A 63 -0.584 -0.817 8.639 1.00 0.00 O ATOM 943 OE2 GLU A 63 0.360 1.060 9.285 1.00 0.00 O ATOM 0 H GLU A 63 -2.060 2.530 4.346 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.194 0.316 4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.122 0.619 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.214 -0.832 6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.911 0.433 6.510 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.017 1.859 6.930 1.00 0.00 H new ATOM 950 N LEU A 64 -1.971 -0.821 2.947 1.00 0.00 N ATOM 951 CA LEU A 64 -2.990 -1.483 2.140 1.00 0.00 C ATOM 952 C LEU A 64 -2.979 -2.990 2.378 1.00 0.00 C ATOM 953 O LEU A 64 -1.928 -3.628 2.329 1.00 0.00 O ATOM 954 CB LEU A 64 -2.765 -1.189 0.656 1.00 0.00 C ATOM 955 CG LEU A 64 -3.248 -2.260 -0.322 1.00 0.00 C ATOM 956 CD1 LEU A 64 -4.768 -2.275 -0.389 1.00 0.00 C ATOM 957 CD2 LEU A 64 -2.654 -2.029 -1.704 1.00 0.00 C ATOM 0 H LEU A 64 -1.014 -1.094 2.725 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.963 -1.093 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.265 -0.251 0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.698 -1.033 0.495 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.910 -3.232 0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.094 -3.043 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.174 -2.490 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.127 -1.302 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.009 -2.801 -2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.960 -1.050 -2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.566 -2.070 -1.644 1.00 0.00 H new ATOM 969 N GLN A 65 -4.156 -3.552 2.634 1.00 0.00 N ATOM 970 CA GLN A 65 -4.282 -4.984 2.878 1.00 0.00 C ATOM 971 C GLN A 65 -5.195 -5.635 1.845 1.00 0.00 C ATOM 972 O GLN A 65 -6.307 -5.165 1.603 1.00 0.00 O ATOM 973 CB GLN A 65 -4.823 -5.237 4.286 1.00 0.00 C ATOM 974 CG GLN A 65 -3.738 -5.508 5.316 1.00 0.00 C ATOM 975 CD GLN A 65 -4.301 -5.910 6.665 1.00 0.00 C ATOM 976 OE1 GLN A 65 -5.203 -6.744 6.751 1.00 0.00 O ATOM 977 NE2 GLN A 65 -3.770 -5.318 7.728 1.00 0.00 N ATOM 0 H GLN A 65 -5.036 -3.038 2.678 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.291 -5.430 2.791 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.405 -4.372 4.603 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.505 -6.087 4.257 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.084 -6.299 4.949 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.124 -4.615 5.434 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.024 -4.632 7.610 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.108 -5.549 8.662 1.00 0.00 H new ATOM 986 N ILE A 66 -4.718 -6.717 1.239 1.00 0.00 N ATOM 987 CA ILE A 66 -5.493 -7.431 0.232 1.00 0.00 C ATOM 988 C ILE A 66 -5.878 -8.823 0.721 1.00 0.00 C ATOM 989 O ILE A 66 -5.146 -9.791 0.512 1.00 0.00 O ATOM 990 CB ILE A 66 -4.713 -7.562 -1.090 1.00 0.00 C ATOM 991 CG1 ILE A 66 -4.181 -6.197 -1.530 1.00 0.00 C ATOM 992 CG2 ILE A 66 -5.599 -8.165 -2.170 1.00 0.00 C ATOM 993 CD1 ILE A 66 -2.953 -6.282 -2.409 1.00 0.00 C ATOM 0 H ILE A 66 -3.799 -7.118 1.428 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.396 -6.847 0.056 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.865 -8.227 -0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.967 -5.666 -2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.944 -5.606 -0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.034 -8.251 -3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.934 -9.154 -1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.465 -7.523 -2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.631 -5.277 -2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.152 -6.785 -1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.190 -6.846 -3.311 1.00 0.00 H new ATOM 1005 N CYS A 67 -7.033 -8.917 1.371 1.00 0.00 N ATOM 1006 CA CYS A 67 -7.518 -10.191 1.890 1.00 0.00 C ATOM 1007 C CYS A 67 -7.735 -11.191 0.759 1.00 0.00 C ATOM 1008 O CYS A 67 -8.503 -10.938 -0.168 1.00 0.00 O ATOM 1009 CB CYS A 67 -8.820 -9.988 2.665 1.00 0.00 C ATOM 1010 SG CYS A 67 -8.585 -9.578 4.410 1.00 0.00 S ATOM 0 H CYS A 67 -7.651 -8.126 1.551 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.762 -10.592 2.565 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -9.393 -9.191 2.190 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.418 -10.897 2.594 1.00 0.00 H new ATOM 0 HG CYS A 67 -9.743 -9.423 4.979 1.00 0.00 H new ATOM 1016 N GLY A 68 -7.051 -12.328 0.841 1.00 0.00 N ATOM 1017 CA GLY A 68 -7.181 -13.348 -0.183 1.00 0.00 C ATOM 1018 C GLY A 68 -6.180 -13.173 -1.307 1.00 0.00 C ATOM 1019 O GLY A 68 -6.534 -12.726 -2.399 1.00 0.00 O ATOM 0 H GLY A 68 -6.409 -12.561 1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.047 -14.331 0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.191 -13.320 -0.593 1.00 0.00 H new ATOM 1023 N LEU A 69 -4.927 -13.522 -1.041 1.00 0.00 N ATOM 1024 CA LEU A 69 -3.870 -13.400 -2.039 1.00 0.00 C ATOM 1025 C LEU A 69 -3.883 -14.588 -2.995 1.00 0.00 C ATOM 1026 O LEU A 69 -4.529 -15.602 -2.732 1.00 0.00 O ATOM 1027 CB LEU A 69 -2.505 -13.295 -1.356 1.00 0.00 C ATOM 1028 CG LEU A 69 -2.171 -11.942 -0.727 1.00 0.00 C ATOM 1029 CD1 LEU A 69 -1.021 -12.081 0.258 1.00 0.00 C ATOM 1030 CD2 LEU A 69 -1.834 -10.922 -1.804 1.00 0.00 C ATOM 0 H LEU A 69 -4.617 -13.892 -0.142 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.052 -12.492 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.450 -14.058 -0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.735 -13.532 -2.090 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.047 -11.589 -0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.797 -11.108 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.301 -12.779 1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.140 -12.456 -0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.599 -9.965 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.973 -11.268 -2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.688 -10.801 -2.470 1.00 0.00 H new ATOM 1042 N ALA A 70 -3.164 -14.456 -4.105 1.00 0.00 N ATOM 1043 CA ALA A 70 -3.090 -15.520 -5.098 1.00 0.00 C ATOM 1044 C ALA A 70 -2.107 -15.166 -6.210 1.00 0.00 C ATOM 1045 O ALA A 70 -1.836 -13.992 -6.460 1.00 0.00 O ATOM 1046 CB ALA A 70 -4.468 -15.798 -5.678 1.00 0.00 C ATOM 0 H ALA A 70 -2.625 -13.623 -4.339 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.729 -16.421 -4.602 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.397 -16.595 -6.418 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.144 -16.104 -4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.852 -14.895 -6.153 1.00 0.00 H new ATOM 1052 N MET A 71 -1.577 -16.189 -6.872 1.00 0.00 N ATOM 1053 CA MET A 71 -0.625 -15.985 -7.958 1.00 0.00 C ATOM 1054 C MET A 71 -0.999 -14.760 -8.786 1.00 0.00 C ATOM 1055 O MET A 71 -0.129 -14.025 -9.253 1.00 0.00 O ATOM 1056 CB MET A 71 -0.568 -17.223 -8.854 1.00 0.00 C ATOM 1057 CG MET A 71 -0.115 -18.479 -8.128 1.00 0.00 C ATOM 1058 SD MET A 71 1.674 -18.697 -8.166 1.00 0.00 S ATOM 1059 CE MET A 71 2.131 -18.030 -6.568 1.00 0.00 C ATOM 0 H MET A 71 -1.790 -17.167 -6.676 1.00 0.00 H new ATOM 0 HA MET A 71 0.359 -15.818 -7.519 1.00 0.00 H new ATOM 0 HB2 MET A 71 -1.555 -17.397 -9.282 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.110 -17.029 -9.685 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.450 -18.435 -7.092 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.593 -19.348 -8.581 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.092 -18.443 -6.263 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.207 -16.945 -6.635 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.372 -18.296 -5.832 1.00 0.00 H new ATOM 1069 N ALA A 72 -2.298 -14.546 -8.964 1.00 0.00 N ATOM 1070 CA ALA A 72 -2.787 -13.409 -9.734 1.00 0.00 C ATOM 1071 C ALA A 72 -2.340 -12.091 -9.111 1.00 0.00 C ATOM 1072 O ALA A 72 -1.756 -11.241 -9.784 1.00 0.00 O ATOM 1073 CB ALA A 72 -4.304 -13.456 -9.841 1.00 0.00 C ATOM 0 H ALA A 72 -3.031 -15.145 -8.585 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.361 -13.471 -10.735 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.655 -12.601 -10.419 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.605 -14.378 -10.338 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.740 -13.423 -8.843 1.00 0.00 H new ATOM 1079 N ASP A 73 -2.618 -11.926 -7.822 1.00 0.00 N ATOM 1080 CA ASP A 73 -2.244 -10.711 -7.108 1.00 0.00 C ATOM 1081 C ASP A 73 -0.822 -10.288 -7.463 1.00 0.00 C ATOM 1082 O ASP A 73 -0.543 -9.103 -7.641 1.00 0.00 O ATOM 1083 CB ASP A 73 -2.364 -10.924 -5.598 1.00 0.00 C ATOM 1084 CG ASP A 73 -3.806 -10.979 -5.134 1.00 0.00 C ATOM 1085 OD1 ASP A 73 -4.437 -9.906 -5.028 1.00 0.00 O ATOM 1086 OD2 ASP A 73 -4.305 -12.095 -4.878 1.00 0.00 O ATOM 0 H ASP A 73 -3.101 -12.619 -7.250 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.926 -9.917 -7.410 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -1.862 -11.852 -5.324 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.849 -10.117 -5.078 1.00 0.00 H new ATOM 1091 N ALA A 74 0.073 -11.265 -7.564 1.00 0.00 N ATOM 1092 CA ALA A 74 1.465 -10.994 -7.899 1.00 0.00 C ATOM 1093 C ALA A 74 1.576 -10.245 -9.222 1.00 0.00 C ATOM 1094 O ALA A 74 1.328 -10.808 -10.288 1.00 0.00 O ATOM 1095 CB ALA A 74 2.256 -12.293 -7.957 1.00 0.00 C ATOM 0 H ALA A 74 -0.141 -12.252 -7.419 1.00 0.00 H new ATOM 0 HA ALA A 74 1.884 -10.360 -7.117 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.294 -12.076 -8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.213 -12.789 -6.987 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.828 -12.946 -8.717 1.00 0.00 H new ATOM 1101 N GLY A 75 1.950 -8.971 -9.146 1.00 0.00 N ATOM 1102 CA GLY A 75 2.086 -8.166 -10.346 1.00 0.00 C ATOM 1103 C GLY A 75 2.757 -6.834 -10.076 1.00 0.00 C ATOM 1104 O GLY A 75 3.929 -6.787 -9.704 1.00 0.00 O ATOM 0 H GLY A 75 2.161 -8.483 -8.276 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.665 -8.718 -11.087 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.100 -7.992 -10.777 1.00 0.00 H new ATOM 1108 N GLU A 76 2.013 -5.749 -10.266 1.00 0.00 N ATOM 1109 CA GLU A 76 2.546 -4.409 -10.044 1.00 0.00 C ATOM 1110 C GLU A 76 1.487 -3.498 -9.430 1.00 0.00 C ATOM 1111 O GLU A 76 0.520 -3.118 -10.091 1.00 0.00 O ATOM 1112 CB GLU A 76 3.049 -3.811 -11.359 1.00 0.00 C ATOM 1113 CG GLU A 76 3.266 -2.309 -11.300 1.00 0.00 C ATOM 1114 CD GLU A 76 3.610 -1.715 -12.653 1.00 0.00 C ATOM 1115 OE1 GLU A 76 4.780 -1.832 -13.073 1.00 0.00 O ATOM 1116 OE2 GLU A 76 2.707 -1.135 -13.292 1.00 0.00 O ATOM 0 H GLU A 76 1.040 -5.771 -10.573 1.00 0.00 H new ATOM 0 HA GLU A 76 3.381 -4.489 -9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.987 -4.295 -11.633 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.332 -4.035 -12.148 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.365 -1.830 -10.916 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.069 -2.089 -10.596 1.00 0.00 H new ATOM 1123 N TYR A 77 1.676 -3.152 -8.162 1.00 0.00 N ATOM 1124 CA TYR A 77 0.737 -2.288 -7.457 1.00 0.00 C ATOM 1125 C TYR A 77 1.168 -0.827 -7.547 1.00 0.00 C ATOM 1126 O TYR A 77 2.339 -0.499 -7.352 1.00 0.00 O ATOM 1127 CB TYR A 77 0.626 -2.709 -5.990 1.00 0.00 C ATOM 1128 CG TYR A 77 -0.124 -4.006 -5.788 1.00 0.00 C ATOM 1129 CD1 TYR A 77 0.483 -5.229 -6.043 1.00 0.00 C ATOM 1130 CD2 TYR A 77 -1.441 -4.009 -5.344 1.00 0.00 C ATOM 1131 CE1 TYR A 77 -0.198 -6.417 -5.861 1.00 0.00 C ATOM 1132 CE2 TYR A 77 -2.129 -5.191 -5.157 1.00 0.00 C ATOM 1133 CZ TYR A 77 -1.504 -6.393 -5.417 1.00 0.00 C ATOM 1134 OH TYR A 77 -2.187 -7.573 -5.234 1.00 0.00 O ATOM 0 H TYR A 77 2.471 -3.457 -7.601 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.239 -2.390 -7.932 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.628 -2.810 -5.573 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.126 -1.919 -5.431 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.506 -5.252 -6.390 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.935 -3.070 -5.142 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.289 -7.359 -6.065 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.151 -5.175 -4.809 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.056 -7.521 -5.684 1.00 0.00 H new ATOM 1144 N LEU A 78 0.212 0.048 -7.842 1.00 0.00 N ATOM 1145 CA LEU A 78 0.490 1.475 -7.958 1.00 0.00 C ATOM 1146 C LEU A 78 -0.208 2.257 -6.849 1.00 0.00 C ATOM 1147 O LEU A 78 -1.286 1.877 -6.392 1.00 0.00 O ATOM 1148 CB LEU A 78 0.040 1.993 -9.325 1.00 0.00 C ATOM 1149 CG LEU A 78 1.020 1.780 -10.479 1.00 0.00 C ATOM 1150 CD1 LEU A 78 2.040 2.907 -10.529 1.00 0.00 C ATOM 1151 CD2 LEU A 78 1.716 0.434 -10.346 1.00 0.00 C ATOM 0 H LEU A 78 -0.762 -0.206 -8.005 1.00 0.00 H new ATOM 0 HA LEU A 78 1.566 1.620 -7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.903 1.510 -9.582 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.162 3.061 -9.238 1.00 0.00 H new ATOM 0 HG LEU A 78 0.458 1.785 -11.413 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.729 2.738 -11.357 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.526 3.857 -10.673 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.598 2.935 -9.593 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.410 0.300 -11.176 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.265 0.400 -9.405 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.973 -0.363 -10.362 1.00 0.00 H new ATOM 1163 N CYS A 79 0.413 3.352 -6.424 1.00 0.00 N ATOM 1164 CA CYS A 79 -0.149 4.189 -5.370 1.00 0.00 C ATOM 1165 C CYS A 79 -0.156 5.656 -5.787 1.00 0.00 C ATOM 1166 O CYS A 79 0.867 6.338 -5.712 1.00 0.00 O ATOM 1167 CB CYS A 79 0.646 4.017 -4.075 1.00 0.00 C ATOM 1168 SG CYS A 79 -0.164 4.710 -2.615 1.00 0.00 S ATOM 0 H CYS A 79 1.305 3.681 -6.793 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.178 3.874 -5.199 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.824 2.955 -3.909 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.621 4.489 -4.195 1.00 0.00 H new ATOM 0 HG CYS A 79 0.646 4.651 -1.600 1.00 0.00 H new ATOM 1174 N VAL A 80 -1.314 6.136 -6.227 1.00 0.00 N ATOM 1175 CA VAL A 80 -1.454 7.522 -6.657 1.00 0.00 C ATOM 1176 C VAL A 80 -1.953 8.403 -5.517 1.00 0.00 C ATOM 1177 O VAL A 80 -2.980 8.116 -4.900 1.00 0.00 O ATOM 1178 CB VAL A 80 -2.422 7.646 -7.848 1.00 0.00 C ATOM 1179 CG1 VAL A 80 -2.280 9.007 -8.513 1.00 0.00 C ATOM 1180 CG2 VAL A 80 -2.181 6.526 -8.849 1.00 0.00 C ATOM 0 H VAL A 80 -2.170 5.585 -6.295 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.465 7.858 -6.967 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.442 7.556 -7.475 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.972 9.076 -9.352 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.507 9.791 -7.790 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.259 9.131 -8.874 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.874 6.629 -9.684 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.157 6.582 -9.218 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.339 5.563 -8.363 1.00 0.00 H new ATOM 1190 N CYS A 81 -1.221 9.477 -5.242 1.00 0.00 N ATOM 1191 CA CYS A 81 -1.589 10.401 -4.175 1.00 0.00 C ATOM 1192 C CYS A 81 -1.983 11.759 -4.744 1.00 0.00 C ATOM 1193 O CYS A 81 -1.526 12.799 -4.271 1.00 0.00 O ATOM 1194 CB CYS A 81 -0.429 10.564 -3.191 1.00 0.00 C ATOM 1195 SG CYS A 81 -0.836 11.544 -1.727 1.00 0.00 S ATOM 0 H CYS A 81 -0.369 9.729 -5.743 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.448 9.985 -3.648 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -0.095 9.576 -2.873 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.409 11.033 -3.708 1.00 0.00 H new ATOM 0 HG CYS A 81 -1.320 12.693 -2.095 1.00 0.00 H new ATOM 1201 N GLY A 82 -2.835 11.743 -5.766 1.00 0.00 N ATOM 1202 CA GLY A 82 -3.275 12.979 -6.384 1.00 0.00 C ATOM 1203 C GLY A 82 -2.413 13.375 -7.567 1.00 0.00 C ATOM 1204 O GLY A 82 -2.727 13.043 -8.709 1.00 0.00 O ATOM 0 H GLY A 82 -3.228 10.896 -6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.309 12.870 -6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.259 13.778 -5.643 1.00 0.00 H new ATOM 1208 N GLN A 83 -1.325 14.088 -7.292 1.00 0.00 N ATOM 1209 CA GLN A 83 -0.417 14.531 -8.343 1.00 0.00 C ATOM 1210 C GLN A 83 0.745 13.557 -8.505 1.00 0.00 C ATOM 1211 O GLN A 83 1.212 13.313 -9.617 1.00 0.00 O ATOM 1212 CB GLN A 83 0.114 15.931 -8.030 1.00 0.00 C ATOM 1213 CG GLN A 83 0.439 16.749 -9.269 1.00 0.00 C ATOM 1214 CD GLN A 83 1.861 16.542 -9.750 1.00 0.00 C ATOM 1215 OE1 GLN A 83 2.242 15.438 -10.143 1.00 0.00 O ATOM 1216 NE2 GLN A 83 2.657 17.605 -9.722 1.00 0.00 N ATOM 0 H GLN A 83 -1.051 14.371 -6.351 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.973 14.562 -9.280 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.626 16.467 -7.435 1.00 0.00 H new ATOM 0 HB3 GLN A 83 1.011 15.842 -7.418 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.253 16.482 -10.068 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.283 17.806 -9.053 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.300 18.501 -9.389 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.625 17.526 -10.034 1.00 0.00 H new ATOM 1225 N GLU A 84 1.208 13.005 -7.387 1.00 0.00 N ATOM 1226 CA GLU A 84 2.317 12.059 -7.406 1.00 0.00 C ATOM 1227 C GLU A 84 1.806 10.621 -7.396 1.00 0.00 C ATOM 1228 O GLU A 84 0.618 10.375 -7.190 1.00 0.00 O ATOM 1229 CB GLU A 84 3.237 12.293 -6.206 1.00 0.00 C ATOM 1230 CG GLU A 84 4.147 13.500 -6.363 1.00 0.00 C ATOM 1231 CD GLU A 84 3.376 14.785 -6.594 1.00 0.00 C ATOM 1232 OE1 GLU A 84 2.350 14.993 -5.912 1.00 0.00 O ATOM 1233 OE2 GLU A 84 3.799 15.583 -7.457 1.00 0.00 O ATOM 0 H GLU A 84 0.832 13.197 -6.458 1.00 0.00 H new ATOM 0 HA GLU A 84 2.882 12.219 -8.324 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.628 12.422 -5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.849 11.405 -6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.762 13.605 -5.469 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.826 13.332 -7.199 1.00 0.00 H new ATOM 1240 N ARG A 85 2.712 9.675 -7.621 1.00 0.00 N ATOM 1241 CA ARG A 85 2.354 8.262 -7.640 1.00 0.00 C ATOM 1242 C ARG A 85 3.595 7.388 -7.794 1.00 0.00 C ATOM 1243 O ARG A 85 4.551 7.761 -8.475 1.00 0.00 O ATOM 1244 CB ARG A 85 1.373 7.978 -8.779 1.00 0.00 C ATOM 1245 CG ARG A 85 1.981 8.145 -10.162 1.00 0.00 C ATOM 1246 CD ARG A 85 2.591 6.845 -10.663 1.00 0.00 C ATOM 1247 NE ARG A 85 3.720 7.080 -11.559 1.00 0.00 N ATOM 1248 CZ ARG A 85 4.647 6.167 -11.828 1.00 0.00 C ATOM 1249 NH1 ARG A 85 4.578 4.964 -11.274 1.00 0.00 N ATOM 1250 NH2 ARG A 85 5.644 6.456 -12.654 1.00 0.00 N ATOM 0 H ARG A 85 3.700 9.862 -7.793 1.00 0.00 H new ATOM 0 HA ARG A 85 1.877 8.021 -6.690 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.996 6.960 -8.677 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.517 8.646 -8.685 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.214 8.481 -10.860 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.747 8.920 -10.133 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.921 6.248 -9.813 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.830 6.264 -11.184 1.00 0.00 H new ATOM 0 HE ARG A 85 3.801 7.995 -12.002 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.812 4.738 -10.640 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.291 4.265 -11.482 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.699 7.380 -13.083 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.355 5.755 -12.860 1.00 0.00 H new ATOM 1264 N THR A 86 3.575 6.223 -7.155 1.00 0.00 N ATOM 1265 CA THR A 86 4.698 5.296 -7.218 1.00 0.00 C ATOM 1266 C THR A 86 4.228 3.882 -7.539 1.00 0.00 C ATOM 1267 O THR A 86 3.147 3.468 -7.119 1.00 0.00 O ATOM 1268 CB THR A 86 5.485 5.275 -5.894 1.00 0.00 C ATOM 1269 OG1 THR A 86 6.517 4.285 -5.953 1.00 0.00 O ATOM 1270 CG2 THR A 86 4.562 4.984 -4.721 1.00 0.00 C ATOM 0 H THR A 86 2.792 5.899 -6.587 1.00 0.00 H new ATOM 0 HA THR A 86 5.352 5.648 -8.016 1.00 0.00 H new ATOM 0 HB THR A 86 5.934 6.258 -5.748 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.198 4.481 -5.276 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.140 4.974 -3.797 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.795 5.756 -4.661 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.088 4.013 -4.863 1.00 0.00 H new ATOM 1278 N SER A 87 5.046 3.146 -8.284 1.00 0.00 N ATOM 1279 CA SER A 87 4.711 1.778 -8.663 1.00 0.00 C ATOM 1280 C SER A 87 5.574 0.777 -7.902 1.00 0.00 C ATOM 1281 O SER A 87 6.656 1.112 -7.421 1.00 0.00 O ATOM 1282 CB SER A 87 4.894 1.585 -10.170 1.00 0.00 C ATOM 1283 OG SER A 87 6.267 1.552 -10.517 1.00 0.00 O ATOM 0 H SER A 87 5.945 3.474 -8.637 1.00 0.00 H new ATOM 0 HA SER A 87 3.667 1.601 -8.405 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.415 0.657 -10.482 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.400 2.395 -10.706 1.00 0.00 H new ATOM 0 HG SER A 87 6.357 1.426 -11.485 1.00 0.00 H new ATOM 1289 N ALA A 88 5.086 -0.455 -7.797 1.00 0.00 N ATOM 1290 CA ALA A 88 5.813 -1.507 -7.097 1.00 0.00 C ATOM 1291 C ALA A 88 5.573 -2.866 -7.746 1.00 0.00 C ATOM 1292 O ALA A 88 4.865 -2.971 -8.748 1.00 0.00 O ATOM 1293 CB ALA A 88 5.408 -1.542 -5.631 1.00 0.00 C ATOM 0 H ALA A 88 4.191 -0.749 -8.188 1.00 0.00 H new ATOM 0 HA ALA A 88 6.878 -1.285 -7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.958 -2.332 -5.120 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.637 -0.582 -5.167 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.338 -1.737 -5.554 1.00 0.00 H new ATOM 1299 N THR A 89 6.169 -3.905 -7.170 1.00 0.00 N ATOM 1300 CA THR A 89 6.022 -5.257 -7.694 1.00 0.00 C ATOM 1301 C THR A 89 5.860 -6.270 -6.566 1.00 0.00 C ATOM 1302 O THR A 89 6.817 -6.580 -5.854 1.00 0.00 O ATOM 1303 CB THR A 89 7.231 -5.659 -8.560 1.00 0.00 C ATOM 1304 OG1 THR A 89 7.456 -4.674 -9.574 1.00 0.00 O ATOM 1305 CG2 THR A 89 7.006 -7.018 -9.206 1.00 0.00 C ATOM 0 H THR A 89 6.758 -3.836 -6.340 1.00 0.00 H new ATOM 0 HA THR A 89 5.125 -5.260 -8.313 1.00 0.00 H new ATOM 0 HB THR A 89 8.107 -5.722 -7.915 1.00 0.00 H new ATOM 0 HG1 THR A 89 8.227 -4.936 -10.119 1.00 0.00 H new ATOM 0 HG21 THR A 89 7.873 -7.281 -9.812 1.00 0.00 H new ATOM 0 HG22 THR A 89 6.864 -7.771 -8.430 1.00 0.00 H new ATOM 0 HG23 THR A 89 6.119 -6.978 -9.839 1.00 0.00 H new ATOM 1313 N LEU A 90 4.645 -6.782 -6.407 1.00 0.00 N ATOM 1314 CA LEU A 90 4.358 -7.761 -5.364 1.00 0.00 C ATOM 1315 C LEU A 90 4.661 -9.176 -5.847 1.00 0.00 C ATOM 1316 O LEU A 90 4.572 -9.470 -7.040 1.00 0.00 O ATOM 1317 CB LEU A 90 2.894 -7.661 -4.932 1.00 0.00 C ATOM 1318 CG LEU A 90 2.427 -8.687 -3.899 1.00 0.00 C ATOM 1319 CD1 LEU A 90 3.115 -8.450 -2.563 1.00 0.00 C ATOM 1320 CD2 LEU A 90 0.915 -8.633 -3.739 1.00 0.00 C ATOM 0 H LEU A 90 3.843 -6.536 -6.987 1.00 0.00 H new ATOM 0 HA LEU A 90 4.999 -7.543 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.723 -6.664 -4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.267 -7.757 -5.819 1.00 0.00 H new ATOM 0 HG LEU A 90 2.699 -9.681 -4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.770 -9.189 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.194 -8.540 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.874 -7.450 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.601 -9.370 -3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.620 -7.638 -3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.440 -8.853 -4.695 1.00 0.00 H new ATOM 1332 N THR A 91 5.020 -10.051 -4.913 1.00 0.00 N ATOM 1333 CA THR A 91 5.335 -11.435 -5.242 1.00 0.00 C ATOM 1334 C THR A 91 4.548 -12.402 -4.366 1.00 0.00 C ATOM 1335 O THR A 91 4.497 -12.248 -3.146 1.00 0.00 O ATOM 1336 CB THR A 91 6.840 -11.722 -5.080 1.00 0.00 C ATOM 1337 OG1 THR A 91 7.566 -11.166 -6.182 1.00 0.00 O ATOM 1338 CG2 THR A 91 7.100 -13.219 -4.999 1.00 0.00 C ATOM 0 H THR A 91 5.100 -9.825 -3.922 1.00 0.00 H new ATOM 0 HA THR A 91 5.054 -11.583 -6.285 1.00 0.00 H new ATOM 0 HB THR A 91 7.178 -11.260 -4.152 1.00 0.00 H new ATOM 0 HG1 THR A 91 8.522 -11.351 -6.071 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.169 -13.397 -4.885 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.570 -13.635 -4.142 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.748 -13.699 -5.912 1.00 0.00 H new ATOM 1346 N ILE A 92 3.936 -13.400 -4.996 1.00 0.00 N ATOM 1347 CA ILE A 92 3.153 -14.393 -4.272 1.00 0.00 C ATOM 1348 C ILE A 92 3.871 -15.738 -4.233 1.00 0.00 C ATOM 1349 O ILE A 92 4.543 -16.122 -5.190 1.00 0.00 O ATOM 1350 CB ILE A 92 1.762 -14.585 -4.906 1.00 0.00 C ATOM 1351 CG1 ILE A 92 1.068 -13.233 -5.082 1.00 0.00 C ATOM 1352 CG2 ILE A 92 0.914 -15.515 -4.051 1.00 0.00 C ATOM 1353 CD1 ILE A 92 0.602 -12.619 -3.780 1.00 0.00 C ATOM 0 H ILE A 92 3.968 -13.542 -6.006 1.00 0.00 H new ATOM 0 HA ILE A 92 3.032 -14.019 -3.255 1.00 0.00 H new ATOM 0 HB ILE A 92 1.886 -15.040 -5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.753 -12.543 -5.575 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.210 -13.357 -5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.066 -15.641 -4.512 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.405 -16.485 -3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.794 -15.086 -3.056 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.119 -11.663 -3.981 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.108 -13.289 -3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.459 -12.462 -3.124 1.00 0.00 H new ATOM 1365 N ARG A 93 3.722 -16.450 -3.121 1.00 0.00 N ATOM 1366 CA ARG A 93 4.356 -17.753 -2.957 1.00 0.00 C ATOM 1367 C ARG A 93 3.309 -18.854 -2.823 1.00 0.00 C ATOM 1368 O ARG A 93 2.605 -18.936 -1.817 1.00 0.00 O ATOM 1369 CB ARG A 93 5.268 -17.749 -1.729 1.00 0.00 C ATOM 1370 CG ARG A 93 6.655 -17.190 -2.002 1.00 0.00 C ATOM 1371 CD ARG A 93 7.576 -18.246 -2.593 1.00 0.00 C ATOM 1372 NE ARG A 93 7.380 -18.399 -4.032 1.00 0.00 N ATOM 1373 CZ ARG A 93 7.885 -19.403 -4.740 1.00 0.00 C ATOM 1374 NH1 ARG A 93 8.611 -20.338 -4.145 1.00 0.00 N ATOM 1375 NH2 ARG A 93 7.662 -19.473 -6.046 1.00 0.00 N ATOM 0 H ARG A 93 3.168 -16.147 -2.320 1.00 0.00 H new ATOM 0 HA ARG A 93 4.955 -17.952 -3.845 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.798 -17.162 -0.940 1.00 0.00 H new ATOM 0 HB3 ARG A 93 5.364 -18.768 -1.355 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.580 -16.346 -2.688 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.084 -16.810 -1.075 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.613 -17.975 -2.395 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.397 -19.201 -2.099 1.00 0.00 H new ATOM 0 HE ARG A 93 6.825 -17.696 -4.520 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.783 -20.288 -3.141 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.998 -21.108 -4.691 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.102 -18.756 -6.507 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.050 -20.244 -6.589 1.00 0.00 H new ATOM 1389 N ALA A 94 3.211 -19.699 -3.844 1.00 0.00 N ATOM 1390 CA ALA A 94 2.252 -20.795 -3.840 1.00 0.00 C ATOM 1391 C ALA A 94 2.166 -21.445 -2.462 1.00 0.00 C ATOM 1392 O ALA A 94 3.176 -21.880 -1.907 1.00 0.00 O ATOM 1393 CB ALA A 94 2.627 -21.830 -4.891 1.00 0.00 C ATOM 0 H ALA A 94 3.785 -19.645 -4.685 1.00 0.00 H new ATOM 0 HA ALA A 94 1.271 -20.386 -4.082 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.901 -22.643 -4.876 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.629 -21.364 -5.876 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.619 -22.226 -4.674 1.00 0.00 H new ATOM 1399 N LEU A 95 0.957 -21.506 -1.916 1.00 0.00 N ATOM 1400 CA LEU A 95 0.740 -22.102 -0.603 1.00 0.00 C ATOM 1401 C LEU A 95 0.650 -23.622 -0.702 1.00 0.00 C ATOM 1402 O LEU A 95 0.253 -24.179 -1.726 1.00 0.00 O ATOM 1403 CB LEU A 95 -0.537 -21.545 0.027 1.00 0.00 C ATOM 1404 CG LEU A 95 -1.838 -21.836 -0.722 1.00 0.00 C ATOM 1405 CD1 LEU A 95 -2.316 -23.250 -0.430 1.00 0.00 C ATOM 1406 CD2 LEU A 95 -2.908 -20.821 -0.347 1.00 0.00 C ATOM 0 H LEU A 95 0.112 -21.150 -2.362 1.00 0.00 H new ATOM 0 HA LEU A 95 1.591 -21.847 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.625 -21.946 1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.430 -20.464 0.122 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.646 -21.753 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.243 -23.440 -0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.557 -23.964 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.491 -23.361 0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.827 -21.044 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.098 -20.872 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.566 -19.819 -0.608 1.00 0.00 H new ATOM 1418 N PRO A 96 1.026 -24.309 0.386 1.00 0.00 N ATOM 1419 CA PRO A 96 0.994 -25.774 0.448 1.00 0.00 C ATOM 1420 C PRO A 96 -0.428 -26.322 0.472 1.00 0.00 C ATOM 1421 O PRO A 96 -1.203 -26.025 1.381 1.00 0.00 O ATOM 1422 CB PRO A 96 1.711 -26.089 1.763 1.00 0.00 C ATOM 1423 CG PRO A 96 1.524 -24.871 2.598 1.00 0.00 C ATOM 1424 CD PRO A 96 1.510 -23.711 1.642 1.00 0.00 C ATOM 0 HA PRO A 96 1.459 -26.229 -0.426 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.285 -26.969 2.245 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.768 -26.297 1.597 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.592 -24.923 3.161 1.00 0.00 H new ATOM 0 HG3 PRO A 96 2.330 -24.768 3.324 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.852 -22.914 1.987 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.502 -23.276 1.524 1.00 0.00 H new ATOM 1432 N SER A 97 -0.766 -27.124 -0.533 1.00 0.00 N ATOM 1433 CA SER A 97 -2.097 -27.712 -0.629 1.00 0.00 C ATOM 1434 C SER A 97 -2.078 -29.174 -0.194 1.00 0.00 C ATOM 1435 O SER A 97 -2.850 -29.587 0.669 1.00 0.00 O ATOM 1436 CB SER A 97 -2.625 -27.600 -2.060 1.00 0.00 C ATOM 1437 OG SER A 97 -2.928 -26.255 -2.388 1.00 0.00 O ATOM 0 H SER A 97 -0.136 -27.381 -1.293 1.00 0.00 H new ATOM 0 HA SER A 97 -2.760 -27.161 0.039 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.882 -27.989 -2.756 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.518 -28.215 -2.171 1.00 0.00 H new ATOM 0 HG SER A 97 -3.262 -26.210 -3.308 1.00 0.00 H new ATOM 1443 N GLY A 98 -1.188 -29.954 -0.801 1.00 0.00 N ATOM 1444 CA GLY A 98 -1.083 -31.362 -0.465 1.00 0.00 C ATOM 1445 C GLY A 98 -0.533 -31.586 0.929 1.00 0.00 C ATOM 1446 O GLY A 98 -0.442 -30.663 1.740 1.00 0.00 O ATOM 0 H GLY A 98 -0.538 -29.636 -1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.067 -31.825 -0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.439 -31.858 -1.191 1.00 0.00 H new ATOM 1450 N PRO A 99 -0.154 -32.838 1.226 1.00 0.00 N ATOM 1451 CA PRO A 99 0.396 -33.210 2.533 1.00 0.00 C ATOM 1452 C PRO A 99 1.787 -32.630 2.763 1.00 0.00 C ATOM 1453 O PRO A 99 2.787 -33.198 2.323 1.00 0.00 O ATOM 1454 CB PRO A 99 0.456 -34.738 2.471 1.00 0.00 C ATOM 1455 CG PRO A 99 0.553 -35.054 1.018 1.00 0.00 C ATOM 1456 CD PRO A 99 -0.234 -33.987 0.309 1.00 0.00 C ATOM 0 HA PRO A 99 -0.210 -32.827 3.354 1.00 0.00 H new ATOM 0 HB2 PRO A 99 1.316 -35.123 3.018 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -0.432 -35.188 2.916 1.00 0.00 H new ATOM 0 HG2 PRO A 99 1.592 -35.057 0.688 1.00 0.00 H new ATOM 0 HG3 PRO A 99 0.148 -36.044 0.806 1.00 0.00 H new ATOM 0 HD2 PRO A 99 0.193 -33.753 -0.666 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -1.266 -34.295 0.139 1.00 0.00 H new ATOM 1464 N SER A 100 1.845 -31.497 3.455 1.00 0.00 N ATOM 1465 CA SER A 100 3.115 -30.839 3.740 1.00 0.00 C ATOM 1466 C SER A 100 3.598 -31.177 5.147 1.00 0.00 C ATOM 1467 O SER A 100 2.813 -31.205 6.095 1.00 0.00 O ATOM 1468 CB SER A 100 2.973 -29.323 3.587 1.00 0.00 C ATOM 1469 OG SER A 100 4.123 -28.652 4.072 1.00 0.00 O ATOM 0 H SER A 100 1.027 -31.015 3.829 1.00 0.00 H new ATOM 0 HA SER A 100 3.853 -31.202 3.025 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.818 -29.073 2.537 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.092 -28.980 4.130 1.00 0.00 H new ATOM 0 HG SER A 100 4.008 -27.685 3.962 1.00 0.00 H new ATOM 1475 N SER A 101 4.896 -31.433 5.274 1.00 0.00 N ATOM 1476 CA SER A 101 5.485 -31.773 6.564 1.00 0.00 C ATOM 1477 C SER A 101 5.986 -30.522 7.279 1.00 0.00 C ATOM 1478 O SER A 101 7.067 -30.015 6.983 1.00 0.00 O ATOM 1479 CB SER A 101 6.636 -32.764 6.378 1.00 0.00 C ATOM 1480 OG SER A 101 7.223 -33.104 7.622 1.00 0.00 O ATOM 0 H SER A 101 5.560 -31.411 4.500 1.00 0.00 H new ATOM 0 HA SER A 101 4.712 -32.236 7.178 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.268 -33.665 5.888 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.391 -32.330 5.723 1.00 0.00 H new ATOM 0 HG SER A 101 7.955 -33.739 7.476 1.00 0.00 H new ATOM 1486 N GLY A 102 5.191 -30.029 8.224 1.00 0.00 N ATOM 1487 CA GLY A 102 5.570 -28.842 8.967 1.00 0.00 C ATOM 1488 C GLY A 102 5.753 -27.632 8.073 1.00 0.00 C ATOM 1489 O GLY A 102 5.493 -27.695 6.871 1.00 0.00 O ATOM 0 H GLY A 102 4.291 -30.431 8.488 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.806 -28.626 9.714 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.498 -29.035 9.506 1.00 0.00 H new TER 1493 GLY A 102