USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 422 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 CYS SG : rot 64:sc= -0.161 USER MOD Single : A 10 CYS SG : rot -24:sc= -1.77 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -65:sc= 0.611 USER MOD Single : A 36 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.051) USER MOD Single : A 37 GLN : amide:sc= -2.99! C(o=-3!,f=-4!) USER MOD Single : A 41 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.5!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN :FLIP amide:sc= 0.69 F(o=-0.18,f=0.69) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 9.147 2.267 9.520 1.00 0.00 N ATOM 60 CA GLY A 7 8.673 3.151 8.471 1.00 0.00 C ATOM 61 C GLY A 7 7.196 2.971 8.184 1.00 0.00 C ATOM 62 O GLY A 7 6.545 2.068 8.710 1.00 0.00 O ATOM 0 HA2 GLY A 7 8.860 4.185 8.760 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.242 2.966 7.560 1.00 0.00 H new ATOM 66 N PRO A 8 6.643 3.847 7.331 1.00 0.00 N ATOM 67 CA PRO A 8 5.227 3.801 6.957 1.00 0.00 C ATOM 68 C PRO A 8 4.896 2.594 6.085 1.00 0.00 C ATOM 69 O PRO A 8 5.348 2.499 4.943 1.00 0.00 O ATOM 70 CB PRO A 8 5.025 5.099 6.171 1.00 0.00 C ATOM 71 CG PRO A 8 6.376 5.432 5.637 1.00 0.00 C ATOM 72 CD PRO A 8 7.359 4.949 6.667 1.00 0.00 C ATOM 0 HA PRO A 8 4.579 3.709 7.828 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.303 4.966 5.366 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.645 5.895 6.812 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.547 4.946 4.677 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.477 6.505 5.474 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.286 4.607 6.208 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.624 5.738 7.371 1.00 0.00 H new ATOM 80 N CYS A 9 4.106 1.675 6.630 1.00 0.00 N ATOM 81 CA CYS A 9 3.716 0.474 5.901 1.00 0.00 C ATOM 82 C CYS A 9 2.260 0.116 6.183 1.00 0.00 C ATOM 83 O CYS A 9 1.622 0.709 7.054 1.00 0.00 O ATOM 84 CB CYS A 9 4.624 -0.696 6.281 1.00 0.00 C ATOM 85 SG CYS A 9 6.383 -0.279 6.333 1.00 0.00 S ATOM 0 H CYS A 9 3.724 1.739 7.573 1.00 0.00 H new ATOM 0 HA CYS A 9 3.822 0.675 4.835 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.322 -1.074 7.258 1.00 0.00 H new ATOM 0 HB3 CYS A 9 4.474 -1.505 5.566 1.00 0.00 H new ATOM 0 HG CYS A 9 6.595 0.593 7.274 1.00 0.00 H new ATOM 91 N CYS A 10 1.741 -0.855 5.441 1.00 0.00 N ATOM 92 CA CYS A 10 0.359 -1.291 5.609 1.00 0.00 C ATOM 93 C CYS A 10 0.192 -2.746 5.183 1.00 0.00 C ATOM 94 O CYS A 10 0.701 -3.160 4.142 1.00 0.00 O ATOM 95 CB CYS A 10 -0.581 -0.398 4.799 1.00 0.00 C ATOM 96 SG CYS A 10 -0.151 -0.270 3.047 1.00 0.00 S ATOM 0 H CYS A 10 2.256 -1.356 4.717 1.00 0.00 H new ATOM 0 HA CYS A 10 0.104 -1.210 6.666 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.596 -0.785 4.885 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.582 0.601 5.236 1.00 0.00 H new ATOM 0 HG CYS A 10 1.115 -0.522 2.891 1.00 0.00 H new ATOM 102 N ARG A 11 -0.524 -3.516 5.996 1.00 0.00 N ATOM 103 CA ARG A 11 -0.756 -4.926 5.704 1.00 0.00 C ATOM 104 C ARG A 11 -2.026 -5.108 4.879 1.00 0.00 C ATOM 105 O ARG A 11 -2.995 -4.368 5.041 1.00 0.00 O ATOM 106 CB ARG A 11 -0.860 -5.727 7.004 1.00 0.00 C ATOM 107 CG ARG A 11 -1.044 -7.220 6.786 1.00 0.00 C ATOM 108 CD ARG A 11 -0.917 -7.993 8.089 1.00 0.00 C ATOM 109 NE ARG A 11 -2.194 -8.097 8.790 1.00 0.00 N ATOM 110 CZ ARG A 11 -2.300 -8.323 10.095 1.00 0.00 C ATOM 111 NH1 ARG A 11 -1.210 -8.466 10.837 1.00 0.00 N ATOM 112 NH2 ARG A 11 -3.497 -8.404 10.660 1.00 0.00 N ATOM 0 H ARG A 11 -0.953 -3.188 6.861 1.00 0.00 H new ATOM 0 HA ARG A 11 0.090 -5.296 5.124 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.041 -5.563 7.595 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.698 -5.348 7.589 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.023 -7.406 6.345 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.300 -7.579 6.075 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.535 -8.993 7.882 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.189 -7.500 8.733 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.051 -7.990 8.248 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.288 -8.403 10.406 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.294 -8.639 11.839 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.337 -8.293 10.093 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.577 -8.578 11.662 1.00 0.00 H new ATOM 126 N ALA A 12 -2.012 -6.099 3.992 1.00 0.00 N ATOM 127 CA ALA A 12 -3.162 -6.379 3.142 1.00 0.00 C ATOM 128 C ALA A 12 -4.170 -7.272 3.859 1.00 0.00 C ATOM 129 O ALA A 12 -3.840 -8.379 4.286 1.00 0.00 O ATOM 130 CB ALA A 12 -2.712 -7.028 1.842 1.00 0.00 C ATOM 0 H ALA A 12 -1.217 -6.720 3.844 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.652 -5.433 2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.581 -7.232 1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.035 -6.355 1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.196 -7.963 2.062 1.00 0.00 H new ATOM 136 N LEU A 13 -5.398 -6.783 3.989 1.00 0.00 N ATOM 137 CA LEU A 13 -6.455 -7.537 4.655 1.00 0.00 C ATOM 138 C LEU A 13 -6.931 -8.695 3.784 1.00 0.00 C ATOM 139 O LEU A 13 -7.565 -9.631 4.270 1.00 0.00 O ATOM 140 CB LEU A 13 -7.631 -6.618 4.988 1.00 0.00 C ATOM 141 CG LEU A 13 -7.318 -5.429 5.898 1.00 0.00 C ATOM 142 CD1 LEU A 13 -8.275 -4.280 5.623 1.00 0.00 C ATOM 143 CD2 LEU A 13 -7.385 -5.843 7.360 1.00 0.00 C ATOM 0 H LEU A 13 -5.687 -5.868 3.642 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.048 -7.946 5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.043 -6.236 4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.411 -7.216 5.460 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.304 -5.090 5.684 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.037 -3.443 6.280 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.177 -3.965 4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.298 -4.607 5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.159 -4.984 7.992 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.386 -6.209 7.589 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.658 -6.633 7.548 1.00 0.00 H new ATOM 155 N TYR A 14 -6.618 -8.625 2.494 1.00 0.00 N ATOM 156 CA TYR A 14 -7.014 -9.667 1.555 1.00 0.00 C ATOM 157 C TYR A 14 -6.042 -9.740 0.381 1.00 0.00 C ATOM 158 O TYR A 14 -5.081 -8.975 0.308 1.00 0.00 O ATOM 159 CB TYR A 14 -8.432 -9.409 1.042 1.00 0.00 C ATOM 160 CG TYR A 14 -9.501 -9.600 2.094 1.00 0.00 C ATOM 161 CD1 TYR A 14 -9.836 -8.571 2.966 1.00 0.00 C ATOM 162 CD2 TYR A 14 -10.175 -10.809 2.217 1.00 0.00 C ATOM 163 CE1 TYR A 14 -10.811 -8.741 3.929 1.00 0.00 C ATOM 164 CE2 TYR A 14 -11.152 -10.987 3.177 1.00 0.00 C ATOM 165 CZ TYR A 14 -11.467 -9.950 4.031 1.00 0.00 C ATOM 166 OH TYR A 14 -12.439 -10.124 4.988 1.00 0.00 O ATOM 0 H TYR A 14 -6.092 -7.858 2.076 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.993 -10.622 2.081 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.490 -8.391 0.657 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.634 -10.078 0.205 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.325 -7.623 2.889 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.931 -11.623 1.551 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.059 -7.931 4.599 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.667 -11.933 3.259 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.802 -11.032 4.924 1.00 0.00 H new ATOM 176 N ASP A 15 -6.300 -10.667 -0.535 1.00 0.00 N ATOM 177 CA ASP A 15 -5.450 -10.841 -1.707 1.00 0.00 C ATOM 178 C ASP A 15 -6.041 -10.124 -2.918 1.00 0.00 C ATOM 179 O ASP A 15 -7.260 -10.043 -3.070 1.00 0.00 O ATOM 180 CB ASP A 15 -5.269 -12.328 -2.017 1.00 0.00 C ATOM 181 CG ASP A 15 -5.168 -13.172 -0.762 1.00 0.00 C ATOM 182 OD1 ASP A 15 -6.169 -13.254 -0.020 1.00 0.00 O ATOM 183 OD2 ASP A 15 -4.087 -13.750 -0.521 1.00 0.00 O ATOM 0 H ASP A 15 -7.091 -11.309 -0.488 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.476 -10.403 -1.487 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.109 -12.676 -2.619 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.369 -12.464 -2.617 1.00 0.00 H new ATOM 188 N PHE A 16 -5.168 -9.606 -3.776 1.00 0.00 N ATOM 189 CA PHE A 16 -5.604 -8.894 -4.972 1.00 0.00 C ATOM 190 C PHE A 16 -4.691 -9.208 -6.154 1.00 0.00 C ATOM 191 O PHE A 16 -3.467 -9.151 -6.038 1.00 0.00 O ATOM 192 CB PHE A 16 -5.624 -7.386 -4.715 1.00 0.00 C ATOM 193 CG PHE A 16 -5.706 -6.565 -5.971 1.00 0.00 C ATOM 194 CD1 PHE A 16 -6.855 -6.574 -6.745 1.00 0.00 C ATOM 195 CD2 PHE A 16 -4.636 -5.785 -6.375 1.00 0.00 C ATOM 196 CE1 PHE A 16 -6.933 -5.820 -7.901 1.00 0.00 C ATOM 197 CE2 PHE A 16 -4.708 -5.029 -7.530 1.00 0.00 C ATOM 198 CZ PHE A 16 -5.859 -5.046 -8.293 1.00 0.00 C ATOM 0 H PHE A 16 -4.156 -9.666 -3.666 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.613 -9.227 -5.216 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.474 -7.145 -4.077 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.725 -7.107 -4.166 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.699 -7.176 -6.442 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.734 -5.767 -5.781 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -7.833 -5.836 -8.497 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.866 -4.426 -7.835 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.919 -4.455 -9.195 1.00 0.00 H new ATOM 208 N GLU A 17 -5.296 -9.540 -7.290 1.00 0.00 N ATOM 209 CA GLU A 17 -4.537 -9.865 -8.492 1.00 0.00 C ATOM 210 C GLU A 17 -4.438 -8.654 -9.416 1.00 0.00 C ATOM 211 O GLU A 17 -5.389 -7.890 -9.583 1.00 0.00 O ATOM 212 CB GLU A 17 -5.189 -11.034 -9.233 1.00 0.00 C ATOM 213 CG GLU A 17 -6.609 -10.748 -9.693 1.00 0.00 C ATOM 214 CD GLU A 17 -7.427 -12.010 -9.881 1.00 0.00 C ATOM 215 OE1 GLU A 17 -7.081 -12.816 -10.770 1.00 0.00 O ATOM 216 OE2 GLU A 17 -8.415 -12.193 -9.138 1.00 0.00 O ATOM 0 H GLU A 17 -6.308 -9.591 -7.403 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.530 -10.153 -8.189 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.580 -11.289 -10.100 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.196 -11.908 -8.581 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.101 -10.106 -8.962 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.578 -10.196 -10.633 1.00 0.00 H new ATOM 223 N PRO A 18 -3.260 -8.475 -10.031 1.00 0.00 N ATOM 224 CA PRO A 18 -3.008 -7.360 -10.948 1.00 0.00 C ATOM 225 C PRO A 18 -3.779 -7.498 -12.256 1.00 0.00 C ATOM 226 O PRO A 18 -4.007 -8.608 -12.737 1.00 0.00 O ATOM 227 CB PRO A 18 -1.501 -7.446 -11.205 1.00 0.00 C ATOM 228 CG PRO A 18 -1.157 -8.875 -10.964 1.00 0.00 C ATOM 229 CD PRO A 18 -2.083 -9.347 -9.878 1.00 0.00 C ATOM 0 HA PRO A 18 -3.330 -6.407 -10.528 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.255 -7.146 -12.224 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.947 -6.787 -10.536 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.286 -9.466 -11.871 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.115 -8.980 -10.661 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.343 -10.398 -10.000 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.631 -9.243 -8.891 1.00 0.00 H new ATOM 288 N GLU A 23 -0.743 -1.472 -11.525 1.00 0.00 N ATOM 289 CA GLU A 23 -1.338 -2.142 -10.375 1.00 0.00 C ATOM 290 C GLU A 23 -0.372 -3.164 -9.781 1.00 0.00 C ATOM 291 O GLU A 23 0.198 -3.987 -10.498 1.00 0.00 O ATOM 292 CB GLU A 23 -2.643 -2.832 -10.777 1.00 0.00 C ATOM 293 CG GLU A 23 -3.770 -1.863 -11.095 1.00 0.00 C ATOM 294 CD GLU A 23 -5.071 -2.569 -11.424 1.00 0.00 C ATOM 295 OE1 GLU A 23 -5.170 -3.150 -12.525 1.00 0.00 O ATOM 296 OE2 GLU A 23 -5.990 -2.541 -10.579 1.00 0.00 O ATOM 0 HA GLU A 23 -1.553 -1.387 -9.618 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.459 -3.461 -11.648 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.959 -3.492 -9.969 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.926 -1.201 -10.243 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.478 -1.236 -11.937 1.00 0.00 H new ATOM 303 N LEU A 24 -0.193 -3.105 -8.466 1.00 0.00 N ATOM 304 CA LEU A 24 0.704 -4.024 -7.774 1.00 0.00 C ATOM 305 C LEU A 24 -0.085 -5.039 -6.953 1.00 0.00 C ATOM 306 O LEU A 24 -0.595 -4.723 -5.879 1.00 0.00 O ATOM 307 CB LEU A 24 1.659 -3.248 -6.865 1.00 0.00 C ATOM 308 CG LEU A 24 2.431 -4.078 -5.838 1.00 0.00 C ATOM 309 CD1 LEU A 24 3.744 -4.570 -6.427 1.00 0.00 C ATOM 310 CD2 LEU A 24 2.681 -3.266 -4.576 1.00 0.00 C ATOM 0 H LEU A 24 -0.657 -2.431 -7.858 1.00 0.00 H new ATOM 0 HA LEU A 24 1.283 -4.562 -8.524 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.379 -2.722 -7.492 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.086 -2.489 -6.332 1.00 0.00 H new ATOM 0 HG LEU A 24 1.828 -4.946 -5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.279 -5.158 -5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.541 -5.189 -7.301 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.354 -3.716 -6.721 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.231 -3.872 -3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.264 -2.379 -4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.727 -2.965 -4.142 1.00 0.00 H new ATOM 322 N GLY A 25 -0.178 -6.263 -7.465 1.00 0.00 N ATOM 323 CA GLY A 25 -0.904 -7.307 -6.765 1.00 0.00 C ATOM 324 C GLY A 25 -0.321 -7.600 -5.397 1.00 0.00 C ATOM 325 O GLY A 25 0.897 -7.677 -5.236 1.00 0.00 O ATOM 0 H GLY A 25 0.236 -6.550 -8.352 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.947 -7.010 -6.656 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.893 -8.218 -7.364 1.00 0.00 H new ATOM 329 N PHE A 26 -1.193 -7.764 -4.407 1.00 0.00 N ATOM 330 CA PHE A 26 -0.758 -8.048 -3.044 1.00 0.00 C ATOM 331 C PHE A 26 -1.374 -9.349 -2.537 1.00 0.00 C ATOM 332 O PHE A 26 -2.220 -9.949 -3.200 1.00 0.00 O ATOM 333 CB PHE A 26 -1.138 -6.894 -2.114 1.00 0.00 C ATOM 334 CG PHE A 26 -2.594 -6.532 -2.173 1.00 0.00 C ATOM 335 CD1 PHE A 26 -3.562 -7.427 -1.748 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.995 -5.295 -2.653 1.00 0.00 C ATOM 337 CE1 PHE A 26 -4.904 -7.097 -1.800 1.00 0.00 C ATOM 338 CE2 PHE A 26 -4.335 -4.959 -2.707 1.00 0.00 C ATOM 339 CZ PHE A 26 -5.290 -5.861 -2.281 1.00 0.00 C ATOM 0 H PHE A 26 -2.205 -7.705 -4.523 1.00 0.00 H new ATOM 0 HA PHE A 26 0.326 -8.158 -3.050 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.880 -7.163 -1.090 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.543 -6.018 -2.373 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.265 -8.395 -1.371 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.253 -4.586 -2.988 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.649 -7.804 -1.465 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.635 -3.992 -3.082 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.337 -5.600 -2.324 1.00 0.00 H new ATOM 349 N LYS A 27 -0.943 -9.779 -1.356 1.00 0.00 N ATOM 350 CA LYS A 27 -1.450 -11.008 -0.757 1.00 0.00 C ATOM 351 C LYS A 27 -1.998 -10.745 0.642 1.00 0.00 C ATOM 352 O LYS A 27 -1.825 -9.658 1.191 1.00 0.00 O ATOM 353 CB LYS A 27 -0.344 -12.063 -0.694 1.00 0.00 C ATOM 354 CG LYS A 27 -0.192 -12.864 -1.976 1.00 0.00 C ATOM 355 CD LYS A 27 0.335 -14.262 -1.701 1.00 0.00 C ATOM 356 CE LYS A 27 1.835 -14.253 -1.448 1.00 0.00 C ATOM 357 NZ LYS A 27 2.295 -15.509 -0.793 1.00 0.00 N ATOM 0 H LYS A 27 -0.243 -9.294 -0.794 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.262 -11.380 -1.382 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.602 -11.572 -0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.552 -12.747 0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.156 -12.930 -2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.487 -12.345 -2.652 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.178 -14.682 -0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.112 -14.909 -2.549 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.362 -14.122 -2.393 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.092 -13.400 -0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.322 -15.463 -0.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.811 -15.621 0.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.073 -16.321 -1.404 1.00 0.00 H new ATOM 371 N GLU A 28 -2.658 -11.749 1.212 1.00 0.00 N ATOM 372 CA GLU A 28 -3.230 -11.625 2.547 1.00 0.00 C ATOM 373 C GLU A 28 -2.132 -11.521 3.602 1.00 0.00 C ATOM 374 O GLU A 28 -1.162 -12.276 3.580 1.00 0.00 O ATOM 375 CB GLU A 28 -4.134 -12.821 2.852 1.00 0.00 C ATOM 376 CG GLU A 28 -5.128 -12.563 3.972 1.00 0.00 C ATOM 377 CD GLU A 28 -5.966 -13.783 4.301 1.00 0.00 C ATOM 378 OE1 GLU A 28 -5.489 -14.912 4.059 1.00 0.00 O ATOM 379 OE2 GLU A 28 -7.097 -13.610 4.800 1.00 0.00 O ATOM 0 H GLU A 28 -2.809 -12.656 0.770 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.825 -10.712 2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.680 -13.093 1.949 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.513 -13.676 3.119 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.589 -12.245 4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.785 -11.741 3.687 1.00 0.00 H new ATOM 386 N GLY A 29 -2.294 -10.578 4.526 1.00 0.00 N ATOM 387 CA GLY A 29 -1.309 -10.391 5.575 1.00 0.00 C ATOM 388 C GLY A 29 0.034 -9.941 5.037 1.00 0.00 C ATOM 389 O GLY A 29 1.076 -10.238 5.622 1.00 0.00 O ATOM 0 H GLY A 29 -3.089 -9.941 4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.677 -9.653 6.287 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.183 -11.326 6.121 1.00 0.00 H new ATOM 393 N ASP A 30 0.011 -9.224 3.919 1.00 0.00 N ATOM 394 CA ASP A 30 1.237 -8.733 3.300 1.00 0.00 C ATOM 395 C ASP A 30 1.415 -7.240 3.558 1.00 0.00 C ATOM 396 O ASP A 30 0.506 -6.446 3.313 1.00 0.00 O ATOM 397 CB ASP A 30 1.220 -9.006 1.795 1.00 0.00 C ATOM 398 CG ASP A 30 1.556 -10.446 1.464 1.00 0.00 C ATOM 399 OD1 ASP A 30 1.031 -11.351 2.146 1.00 0.00 O ATOM 400 OD2 ASP A 30 2.344 -10.669 0.521 1.00 0.00 O ATOM 0 H ASP A 30 -0.843 -8.970 3.423 1.00 0.00 H new ATOM 0 HA ASP A 30 2.078 -9.263 3.747 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.235 -8.765 1.396 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.934 -8.347 1.301 1.00 0.00 H new ATOM 405 N ILE A 31 2.590 -6.866 4.053 1.00 0.00 N ATOM 406 CA ILE A 31 2.886 -5.468 4.343 1.00 0.00 C ATOM 407 C ILE A 31 3.611 -4.806 3.177 1.00 0.00 C ATOM 408 O ILE A 31 4.730 -5.187 2.832 1.00 0.00 O ATOM 409 CB ILE A 31 3.744 -5.327 5.614 1.00 0.00 C ATOM 410 CG1 ILE A 31 3.006 -5.908 6.822 1.00 0.00 C ATOM 411 CG2 ILE A 31 4.098 -3.867 5.854 1.00 0.00 C ATOM 412 CD1 ILE A 31 2.655 -7.371 6.669 1.00 0.00 C ATOM 0 H ILE A 31 3.352 -7.511 4.262 1.00 0.00 H new ATOM 0 HA ILE A 31 1.930 -4.969 4.503 1.00 0.00 H new ATOM 0 HB ILE A 31 4.669 -5.887 5.474 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.625 -5.782 7.711 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.091 -5.339 6.987 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.705 -3.783 6.756 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.660 -3.484 5.002 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.184 -3.286 5.976 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.134 -7.716 7.562 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.010 -7.502 5.800 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.567 -7.952 6.534 1.00 0.00 H new ATOM 424 N ILE A 32 2.967 -3.812 2.574 1.00 0.00 N ATOM 425 CA ILE A 32 3.552 -3.095 1.448 1.00 0.00 C ATOM 426 C ILE A 32 4.034 -1.711 1.869 1.00 0.00 C ATOM 427 O ILE A 32 3.233 -0.839 2.209 1.00 0.00 O ATOM 428 CB ILE A 32 2.547 -2.947 0.291 1.00 0.00 C ATOM 429 CG1 ILE A 32 2.045 -4.322 -0.156 1.00 0.00 C ATOM 430 CG2 ILE A 32 3.186 -2.207 -0.874 1.00 0.00 C ATOM 431 CD1 ILE A 32 0.635 -4.301 -0.705 1.00 0.00 C ATOM 0 H ILE A 32 2.040 -3.485 2.847 1.00 0.00 H new ATOM 0 HA ILE A 32 4.402 -3.685 1.106 1.00 0.00 H new ATOM 0 HB ILE A 32 1.694 -2.366 0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.717 -4.715 -0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.087 -5.008 0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.463 -2.110 -1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.500 -1.216 -0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.054 -2.764 -1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.345 -5.309 -1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.049 -3.938 0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.592 -3.641 -1.571 1.00 0.00 H new ATOM 443 N THR A 33 5.348 -1.513 1.841 1.00 0.00 N ATOM 444 CA THR A 33 5.937 -0.235 2.219 1.00 0.00 C ATOM 445 C THR A 33 5.186 0.927 1.579 1.00 0.00 C ATOM 446 O THR A 33 4.483 0.752 0.582 1.00 0.00 O ATOM 447 CB THR A 33 7.421 -0.158 1.812 1.00 0.00 C ATOM 448 OG1 THR A 33 8.174 -1.150 2.518 1.00 0.00 O ATOM 449 CG2 THR A 33 7.991 1.222 2.104 1.00 0.00 C ATOM 0 H THR A 33 6.025 -2.222 1.560 1.00 0.00 H new ATOM 0 HA THR A 33 5.861 -0.160 3.304 1.00 0.00 H new ATOM 0 HB THR A 33 7.492 -0.343 0.740 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.116 -1.096 2.253 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.040 1.252 1.808 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.434 1.972 1.543 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.908 1.432 3.170 1.00 0.00 H new ATOM 457 N LEU A 34 5.338 2.113 2.156 1.00 0.00 N ATOM 458 CA LEU A 34 4.674 3.306 1.641 1.00 0.00 C ATOM 459 C LEU A 34 5.690 4.391 1.300 1.00 0.00 C ATOM 460 O LEU A 34 6.569 4.709 2.102 1.00 0.00 O ATOM 461 CB LEU A 34 3.669 3.837 2.665 1.00 0.00 C ATOM 462 CG LEU A 34 2.336 3.092 2.746 1.00 0.00 C ATOM 463 CD1 LEU A 34 1.574 3.497 3.998 1.00 0.00 C ATOM 464 CD2 LEU A 34 1.501 3.356 1.502 1.00 0.00 C ATOM 0 H LEU A 34 5.915 2.275 2.981 1.00 0.00 H new ATOM 0 HA LEU A 34 4.144 3.031 0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.136 3.813 3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.465 4.883 2.435 1.00 0.00 H new ATOM 0 HG LEU A 34 2.542 2.023 2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.628 2.957 4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.168 3.256 4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.379 4.569 3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.556 2.818 1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.304 4.425 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.044 3.015 0.620 1.00 0.00 H new ATOM 476 N THR A 35 5.564 4.958 0.104 1.00 0.00 N ATOM 477 CA THR A 35 6.470 6.008 -0.344 1.00 0.00 C ATOM 478 C THR A 35 5.709 7.286 -0.675 1.00 0.00 C ATOM 479 O THR A 35 6.017 8.356 -0.152 1.00 0.00 O ATOM 480 CB THR A 35 7.273 5.566 -1.582 1.00 0.00 C ATOM 481 OG1 THR A 35 6.428 5.559 -2.737 1.00 0.00 O ATOM 482 CG2 THR A 35 7.869 4.182 -1.375 1.00 0.00 C ATOM 0 H THR A 35 4.843 4.707 -0.572 1.00 0.00 H new ATOM 0 HA THR A 35 7.160 6.202 0.477 1.00 0.00 H new ATOM 0 HB THR A 35 8.087 6.276 -1.732 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.732 4.878 -2.629 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.431 3.892 -2.262 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.535 4.198 -0.512 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.068 3.463 -1.202 1.00 0.00 H new ATOM 490 N ASN A 36 4.714 7.167 -1.548 1.00 0.00 N ATOM 491 CA ASN A 36 3.908 8.315 -1.949 1.00 0.00 C ATOM 492 C ASN A 36 2.503 7.879 -2.355 1.00 0.00 C ATOM 493 O ASN A 36 2.227 6.687 -2.483 1.00 0.00 O ATOM 494 CB ASN A 36 4.579 9.055 -3.108 1.00 0.00 C ATOM 495 CG ASN A 36 5.568 10.101 -2.631 1.00 0.00 C ATOM 496 OD1 ASN A 36 5.200 11.049 -1.937 1.00 0.00 O ATOM 497 ND2 ASN A 36 6.832 9.933 -3.004 1.00 0.00 N ATOM 0 H ASN A 36 4.446 6.288 -1.991 1.00 0.00 H new ATOM 0 HA ASN A 36 3.828 8.987 -1.095 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.094 8.336 -3.745 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.815 9.534 -3.721 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.543 10.605 -2.715 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.092 9.132 -3.580 1.00 0.00 H new ATOM 504 N GLN A 37 1.622 8.853 -2.555 1.00 0.00 N ATOM 505 CA GLN A 37 0.246 8.569 -2.946 1.00 0.00 C ATOM 506 C GLN A 37 -0.128 9.331 -4.212 1.00 0.00 C ATOM 507 O GLN A 37 0.123 10.532 -4.323 1.00 0.00 O ATOM 508 CB GLN A 37 -0.714 8.936 -1.813 1.00 0.00 C ATOM 509 CG GLN A 37 -2.157 8.544 -2.088 1.00 0.00 C ATOM 510 CD GLN A 37 -3.151 9.475 -1.421 1.00 0.00 C ATOM 511 OE1 GLN A 37 -2.844 10.635 -1.144 1.00 0.00 O ATOM 512 NE2 GLN A 37 -4.352 8.970 -1.161 1.00 0.00 N ATOM 0 H GLN A 37 1.836 9.845 -2.453 1.00 0.00 H new ATOM 0 HA GLN A 37 0.165 7.501 -3.150 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.383 8.450 -0.895 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.665 10.011 -1.640 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.331 8.543 -3.164 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.326 7.526 -1.737 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.563 8.003 -1.408 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.063 9.549 -0.715 1.00 0.00 H new ATOM 521 N ILE A 38 -0.730 8.627 -5.165 1.00 0.00 N ATOM 522 CA ILE A 38 -1.139 9.238 -6.423 1.00 0.00 C ATOM 523 C ILE A 38 -2.643 9.487 -6.449 1.00 0.00 C ATOM 524 O ILE A 38 -3.097 10.563 -6.840 1.00 0.00 O ATOM 525 CB ILE A 38 -0.755 8.358 -7.628 1.00 0.00 C ATOM 526 CG1 ILE A 38 0.767 8.257 -7.749 1.00 0.00 C ATOM 527 CG2 ILE A 38 -1.358 8.919 -8.907 1.00 0.00 C ATOM 528 CD1 ILE A 38 1.358 7.093 -6.985 1.00 0.00 C ATOM 0 H ILE A 38 -0.945 7.633 -5.089 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.614 10.190 -6.497 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.155 7.356 -7.470 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.034 8.163 -8.802 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.214 9.183 -7.388 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.078 8.286 -9.749 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.444 8.943 -8.817 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.985 9.930 -9.072 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.440 7.084 -7.116 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.122 7.195 -5.926 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.939 6.160 -7.362 1.00 0.00 H new ATOM 540 N ASP A 39 -3.410 8.487 -6.030 1.00 0.00 N ATOM 541 CA ASP A 39 -4.864 8.599 -6.002 1.00 0.00 C ATOM 542 C ASP A 39 -5.369 8.774 -4.573 1.00 0.00 C ATOM 543 O ASP A 39 -4.584 8.787 -3.626 1.00 0.00 O ATOM 544 CB ASP A 39 -5.504 7.362 -6.635 1.00 0.00 C ATOM 545 CG ASP A 39 -4.771 6.904 -7.880 1.00 0.00 C ATOM 546 OD1 ASP A 39 -4.457 7.760 -8.733 1.00 0.00 O ATOM 547 OD2 ASP A 39 -4.511 5.688 -8.001 1.00 0.00 O ATOM 0 H ASP A 39 -3.050 7.590 -5.705 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.147 9.480 -6.578 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.519 6.551 -5.907 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.541 7.582 -6.888 1.00 0.00 H new ATOM 552 N GLU A 40 -6.683 8.908 -4.427 1.00 0.00 N ATOM 553 CA GLU A 40 -7.291 9.084 -3.114 1.00 0.00 C ATOM 554 C GLU A 40 -7.582 7.735 -2.464 1.00 0.00 C ATOM 555 O GLU A 40 -7.906 7.662 -1.279 1.00 0.00 O ATOM 556 CB GLU A 40 -8.583 9.896 -3.230 1.00 0.00 C ATOM 557 CG GLU A 40 -8.408 11.219 -3.956 1.00 0.00 C ATOM 558 CD GLU A 40 -9.729 11.895 -4.264 1.00 0.00 C ATOM 559 OE1 GLU A 40 -10.341 12.454 -3.330 1.00 0.00 O ATOM 560 OE2 GLU A 40 -10.152 11.866 -5.439 1.00 0.00 O ATOM 0 H GLU A 40 -7.347 8.898 -5.202 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.585 9.626 -2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.331 9.300 -3.754 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.972 10.089 -2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.797 11.885 -3.347 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.865 11.050 -4.886 1.00 0.00 H new ATOM 567 N ASN A 41 -7.464 6.669 -3.249 1.00 0.00 N ATOM 568 CA ASN A 41 -7.716 5.321 -2.751 1.00 0.00 C ATOM 569 C ASN A 41 -6.556 4.390 -3.092 1.00 0.00 C ATOM 570 O ASN A 41 -6.612 3.190 -2.826 1.00 0.00 O ATOM 571 CB ASN A 41 -9.016 4.772 -3.340 1.00 0.00 C ATOM 572 CG ASN A 41 -10.233 5.172 -2.528 1.00 0.00 C ATOM 573 OD1 ASN A 41 -10.159 5.316 -1.307 1.00 0.00 O ATOM 574 ND2 ASN A 41 -11.362 5.352 -3.203 1.00 0.00 N ATOM 0 H ASN A 41 -7.196 6.712 -4.232 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.810 5.373 -1.666 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.130 5.133 -4.362 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.958 3.685 -3.391 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.214 5.620 -2.710 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.378 5.222 -4.215 1.00 0.00 H new ATOM 581 N TRP A 42 -5.508 4.952 -3.682 1.00 0.00 N ATOM 582 CA TRP A 42 -4.334 4.172 -4.059 1.00 0.00 C ATOM 583 C TRP A 42 -3.079 4.716 -3.385 1.00 0.00 C ATOM 584 O TRP A 42 -3.082 5.824 -2.848 1.00 0.00 O ATOM 585 CB TRP A 42 -4.157 4.182 -5.578 1.00 0.00 C ATOM 586 CG TRP A 42 -5.322 3.595 -6.316 1.00 0.00 C ATOM 587 CD1 TRP A 42 -6.565 4.143 -6.455 1.00 0.00 C ATOM 588 CD2 TRP A 42 -5.352 2.344 -7.013 1.00 0.00 C ATOM 589 NE1 TRP A 42 -7.366 3.309 -7.197 1.00 0.00 N ATOM 590 CE2 TRP A 42 -6.646 2.200 -7.552 1.00 0.00 C ATOM 591 CE3 TRP A 42 -4.413 1.334 -7.236 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -7.020 1.085 -8.298 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -4.786 0.229 -7.976 1.00 0.00 C ATOM 594 CH2 TRP A 42 -6.081 0.112 -8.501 1.00 0.00 C ATOM 0 H TRP A 42 -5.446 5.944 -3.910 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.487 3.146 -3.724 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.004 5.208 -5.912 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.256 3.626 -5.835 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.873 5.092 -6.042 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.340 3.487 -7.443 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.413 1.416 -6.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.017 0.992 -8.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.068 -0.558 -8.153 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.342 -0.764 -9.077 1.00 0.00 H new ATOM 605 N TYR A 43 -2.009 3.931 -3.417 1.00 0.00 N ATOM 606 CA TYR A 43 -0.747 4.334 -2.806 1.00 0.00 C ATOM 607 C TYR A 43 0.434 3.946 -3.691 1.00 0.00 C ATOM 608 O TYR A 43 0.257 3.373 -4.765 1.00 0.00 O ATOM 609 CB TYR A 43 -0.597 3.692 -1.426 1.00 0.00 C ATOM 610 CG TYR A 43 -1.163 4.532 -0.303 1.00 0.00 C ATOM 611 CD1 TYR A 43 -0.907 5.896 -0.231 1.00 0.00 C ATOM 612 CD2 TYR A 43 -1.956 3.962 0.685 1.00 0.00 C ATOM 613 CE1 TYR A 43 -1.421 6.666 0.793 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.476 4.725 1.713 1.00 0.00 C ATOM 615 CZ TYR A 43 -2.206 6.076 1.762 1.00 0.00 C ATOM 616 OH TYR A 43 -2.721 6.841 2.784 1.00 0.00 O ATOM 0 H TYR A 43 -1.989 3.012 -3.859 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.755 5.418 -2.696 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.095 2.722 -1.430 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.460 3.507 -1.233 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.295 6.362 -0.989 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.170 2.904 0.649 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.210 7.724 0.835 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.090 4.266 2.473 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.252 6.274 3.381 1.00 0.00 H new ATOM 626 N GLU A 44 1.640 4.264 -3.230 1.00 0.00 N ATOM 627 CA GLU A 44 2.851 3.950 -3.979 1.00 0.00 C ATOM 628 C GLU A 44 3.918 3.357 -3.063 1.00 0.00 C ATOM 629 O GLU A 44 4.451 4.040 -2.190 1.00 0.00 O ATOM 630 CB GLU A 44 3.393 5.205 -4.665 1.00 0.00 C ATOM 631 CG GLU A 44 4.311 4.909 -5.839 1.00 0.00 C ATOM 632 CD GLU A 44 5.007 6.150 -6.363 1.00 0.00 C ATOM 633 OE1 GLU A 44 5.946 6.630 -5.695 1.00 0.00 O ATOM 634 OE2 GLU A 44 4.612 6.641 -7.441 1.00 0.00 O ATOM 0 H GLU A 44 1.804 4.738 -2.342 1.00 0.00 H new ATOM 0 HA GLU A 44 2.596 3.211 -4.739 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.555 5.809 -5.013 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.935 5.804 -3.933 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.060 4.178 -5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.732 4.455 -6.643 1.00 0.00 H new ATOM 641 N GLY A 45 4.224 2.079 -3.270 1.00 0.00 N ATOM 642 CA GLY A 45 5.225 1.415 -2.457 1.00 0.00 C ATOM 643 C GLY A 45 5.943 0.311 -3.207 1.00 0.00 C ATOM 644 O GLY A 45 5.724 0.121 -4.403 1.00 0.00 O ATOM 0 H GLY A 45 3.796 1.493 -3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.953 2.149 -2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.749 0.997 -1.570 1.00 0.00 H new ATOM 648 N MET A 46 6.804 -0.418 -2.504 1.00 0.00 N ATOM 649 CA MET A 46 7.557 -1.508 -3.112 1.00 0.00 C ATOM 650 C MET A 46 7.149 -2.851 -2.513 1.00 0.00 C ATOM 651 O MET A 46 7.060 -2.996 -1.293 1.00 0.00 O ATOM 652 CB MET A 46 9.059 -1.287 -2.923 1.00 0.00 C ATOM 653 CG MET A 46 9.704 -0.501 -4.053 1.00 0.00 C ATOM 654 SD MET A 46 11.502 -0.449 -3.925 1.00 0.00 S ATOM 655 CE MET A 46 11.722 0.947 -2.824 1.00 0.00 C ATOM 0 H MET A 46 6.997 -0.273 -1.513 1.00 0.00 H new ATOM 0 HA MET A 46 7.331 -1.522 -4.178 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.225 -0.760 -1.984 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.552 -2.255 -2.837 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.424 -0.948 -5.007 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.314 0.517 -4.051 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.786 1.107 -2.647 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.291 1.840 -3.278 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.223 0.745 -1.876 1.00 0.00 H new ATOM 665 N LEU A 47 6.902 -3.829 -3.378 1.00 0.00 N ATOM 666 CA LEU A 47 6.504 -5.160 -2.933 1.00 0.00 C ATOM 667 C LEU A 47 7.165 -6.239 -3.785 1.00 0.00 C ATOM 668 O LEU A 47 6.890 -6.358 -4.979 1.00 0.00 O ATOM 669 CB LEU A 47 4.982 -5.306 -2.997 1.00 0.00 C ATOM 670 CG LEU A 47 4.410 -6.614 -2.449 1.00 0.00 C ATOM 671 CD1 LEU A 47 4.531 -6.655 -0.933 1.00 0.00 C ATOM 672 CD2 LEU A 47 2.959 -6.781 -2.875 1.00 0.00 C ATOM 0 H LEU A 47 6.970 -3.725 -4.390 1.00 0.00 H new ATOM 0 HA LEU A 47 6.833 -5.285 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.534 -4.478 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.671 -5.204 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 47 4.986 -7.442 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.119 -7.593 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.581 -6.582 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.980 -5.820 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.568 -7.717 -2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.369 -5.949 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.899 -6.797 -3.963 1.00 0.00 H new ATOM 684 N HIS A 48 8.038 -7.024 -3.162 1.00 0.00 N ATOM 685 CA HIS A 48 8.738 -8.096 -3.862 1.00 0.00 C ATOM 686 C HIS A 48 9.592 -7.537 -4.996 1.00 0.00 C ATOM 687 O HIS A 48 9.661 -8.117 -6.078 1.00 0.00 O ATOM 688 CB HIS A 48 7.736 -9.111 -4.415 1.00 0.00 C ATOM 689 CG HIS A 48 7.305 -10.134 -3.410 1.00 0.00 C ATOM 690 ND1 HIS A 48 7.922 -11.359 -3.270 1.00 0.00 N ATOM 691 CD2 HIS A 48 6.311 -10.109 -2.491 1.00 0.00 C ATOM 692 CE1 HIS A 48 7.326 -12.044 -2.311 1.00 0.00 C ATOM 693 NE2 HIS A 48 6.345 -11.307 -1.821 1.00 0.00 N ATOM 0 H HIS A 48 8.278 -6.938 -2.174 1.00 0.00 H new ATOM 0 HA HIS A 48 9.394 -8.595 -3.149 1.00 0.00 H new ATOM 0 HB2 HIS A 48 6.857 -8.580 -4.781 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.180 -9.619 -5.271 1.00 0.00 H new ATOM 0 HD2 HIS A 48 5.620 -9.298 -2.317 1.00 0.00 H new ATOM 0 HE1 HIS A 48 7.595 -13.037 -1.983 1.00 0.00 H new ATOM 0 HE2 HIS A 48 5.715 -11.583 -1.068 1.00 0.00 H new ATOM 702 N GLY A 49 10.242 -6.406 -4.739 1.00 0.00 N ATOM 703 CA GLY A 49 11.082 -5.788 -5.748 1.00 0.00 C ATOM 704 C GLY A 49 10.278 -5.199 -6.890 1.00 0.00 C ATOM 705 O GLY A 49 10.812 -4.954 -7.973 1.00 0.00 O ATOM 0 H GLY A 49 10.202 -5.907 -3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.681 -5.003 -5.287 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.777 -6.530 -6.142 1.00 0.00 H new ATOM 709 N HIS A 50 8.991 -4.973 -6.651 1.00 0.00 N ATOM 710 CA HIS A 50 8.111 -4.410 -7.670 1.00 0.00 C ATOM 711 C HIS A 50 7.471 -3.115 -7.180 1.00 0.00 C ATOM 712 O HIS A 50 6.810 -3.092 -6.141 1.00 0.00 O ATOM 713 CB HIS A 50 7.025 -5.418 -8.049 1.00 0.00 C ATOM 714 CG HIS A 50 7.564 -6.756 -8.451 1.00 0.00 C ATOM 715 ND1 HIS A 50 8.428 -6.933 -9.511 1.00 0.00 N ATOM 716 CD2 HIS A 50 7.358 -7.987 -7.926 1.00 0.00 C ATOM 717 CE1 HIS A 50 8.729 -8.214 -9.622 1.00 0.00 C ATOM 718 NE2 HIS A 50 8.093 -8.876 -8.672 1.00 0.00 N ATOM 0 H HIS A 50 8.533 -5.171 -5.761 1.00 0.00 H new ATOM 0 HA HIS A 50 8.712 -4.186 -8.551 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.349 -5.547 -7.203 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.434 -5.012 -8.870 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.732 -8.226 -7.079 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.384 -8.647 -10.364 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.140 -9.883 -8.518 1.00 0.00 H new ATOM 727 N SER A 51 7.672 -2.039 -7.934 1.00 0.00 N ATOM 728 CA SER A 51 7.118 -0.739 -7.573 1.00 0.00 C ATOM 729 C SER A 51 5.828 -0.467 -8.340 1.00 0.00 C ATOM 730 O SER A 51 5.847 -0.237 -9.549 1.00 0.00 O ATOM 731 CB SER A 51 8.136 0.368 -7.855 1.00 0.00 C ATOM 732 OG SER A 51 7.770 1.575 -7.208 1.00 0.00 O ATOM 0 H SER A 51 8.214 -2.042 -8.798 1.00 0.00 H new ATOM 0 HA SER A 51 6.891 -0.751 -6.507 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.123 0.054 -7.515 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.208 0.535 -8.930 1.00 0.00 H new ATOM 0 HG SER A 51 8.437 2.266 -7.403 1.00 0.00 H new ATOM 738 N GLY A 52 4.706 -0.494 -7.627 1.00 0.00 N ATOM 739 CA GLY A 52 3.421 -0.249 -8.256 1.00 0.00 C ATOM 740 C GLY A 52 2.419 0.374 -7.305 1.00 0.00 C ATOM 741 O GLY A 52 2.721 0.596 -6.132 1.00 0.00 O ATOM 0 H GLY A 52 4.664 -0.681 -6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.560 0.408 -9.114 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.021 -1.189 -8.636 1.00 0.00 H new ATOM 745 N PHE A 53 1.224 0.660 -7.810 1.00 0.00 N ATOM 746 CA PHE A 53 0.175 1.265 -6.997 1.00 0.00 C ATOM 747 C PHE A 53 -0.854 0.221 -6.572 1.00 0.00 C ATOM 748 O PHE A 53 -1.126 -0.732 -7.303 1.00 0.00 O ATOM 749 CB PHE A 53 -0.514 2.390 -7.772 1.00 0.00 C ATOM 750 CG PHE A 53 0.417 3.163 -8.662 1.00 0.00 C ATOM 751 CD1 PHE A 53 1.586 3.708 -8.157 1.00 0.00 C ATOM 752 CD2 PHE A 53 0.123 3.343 -10.004 1.00 0.00 C ATOM 753 CE1 PHE A 53 2.444 4.420 -8.974 1.00 0.00 C ATOM 754 CE2 PHE A 53 0.978 4.053 -10.826 1.00 0.00 C ATOM 755 CZ PHE A 53 2.140 4.592 -10.310 1.00 0.00 C ATOM 0 H PHE A 53 0.957 0.483 -8.778 1.00 0.00 H new ATOM 0 HA PHE A 53 0.637 1.680 -6.101 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.314 1.965 -8.378 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.980 3.076 -7.064 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.830 3.575 -7.113 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.785 2.924 -10.413 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.352 4.842 -8.568 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.738 4.186 -11.870 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.810 5.147 -10.950 1.00 0.00 H new ATOM 765 N PHE A 54 -1.421 0.408 -5.385 1.00 0.00 N ATOM 766 CA PHE A 54 -2.419 -0.518 -4.861 1.00 0.00 C ATOM 767 C PHE A 54 -3.506 0.231 -4.096 1.00 0.00 C ATOM 768 O PHE A 54 -3.292 1.324 -3.573 1.00 0.00 O ATOM 769 CB PHE A 54 -1.756 -1.551 -3.947 1.00 0.00 C ATOM 770 CG PHE A 54 -0.874 -0.943 -2.895 1.00 0.00 C ATOM 771 CD1 PHE A 54 0.348 -0.384 -3.235 1.00 0.00 C ATOM 772 CD2 PHE A 54 -1.266 -0.930 -1.566 1.00 0.00 C ATOM 773 CE1 PHE A 54 1.162 0.177 -2.269 1.00 0.00 C ATOM 774 CE2 PHE A 54 -0.456 -0.370 -0.596 1.00 0.00 C ATOM 775 CZ PHE A 54 0.760 0.183 -0.948 1.00 0.00 C ATOM 0 H PHE A 54 -1.207 1.191 -4.768 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.881 -1.032 -5.704 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.531 -2.145 -3.461 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.164 -2.235 -4.555 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.668 -0.387 -4.267 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.215 -1.362 -1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.111 0.610 -2.547 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.774 -0.365 0.436 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.395 0.619 -0.191 1.00 0.00 H new ATOM 785 N PRO A 55 -4.703 -0.371 -4.030 1.00 0.00 N ATOM 786 CA PRO A 55 -5.849 0.220 -3.332 1.00 0.00 C ATOM 787 C PRO A 55 -5.662 0.233 -1.819 1.00 0.00 C ATOM 788 O PRO A 55 -4.952 -0.607 -1.265 1.00 0.00 O ATOM 789 CB PRO A 55 -7.012 -0.696 -3.720 1.00 0.00 C ATOM 790 CG PRO A 55 -6.373 -2.004 -4.040 1.00 0.00 C ATOM 791 CD PRO A 55 -5.030 -1.675 -4.631 1.00 0.00 C ATOM 0 HA PRO A 55 -6.001 1.263 -3.608 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.728 -0.794 -2.904 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.558 -0.302 -4.577 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.266 -2.616 -3.144 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.980 -2.573 -4.744 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.285 -2.431 -4.381 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.073 -1.617 -5.719 1.00 0.00 H new ATOM 799 N ILE A 56 -6.304 1.189 -1.156 1.00 0.00 N ATOM 800 CA ILE A 56 -6.209 1.309 0.293 1.00 0.00 C ATOM 801 C ILE A 56 -7.364 0.588 0.981 1.00 0.00 C ATOM 802 O ILE A 56 -7.297 0.284 2.171 1.00 0.00 O ATOM 803 CB ILE A 56 -6.202 2.784 0.737 1.00 0.00 C ATOM 804 CG1 ILE A 56 -5.155 3.572 -0.053 1.00 0.00 C ATOM 805 CG2 ILE A 56 -5.933 2.886 2.231 1.00 0.00 C ATOM 806 CD1 ILE A 56 -5.284 5.071 0.101 1.00 0.00 C ATOM 0 H ILE A 56 -6.896 1.892 -1.600 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.267 0.845 0.587 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.183 3.214 0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.161 3.266 0.272 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -5.239 3.315 -1.109 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.931 3.934 2.530 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.712 2.354 2.778 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.963 2.443 2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.510 5.565 -0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.265 5.390 -0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.170 5.340 1.151 1.00 0.00 H new ATOM 818 N ASN A 57 -8.421 0.317 0.222 1.00 0.00 N ATOM 819 CA ASN A 57 -9.590 -0.369 0.759 1.00 0.00 C ATOM 820 C ASN A 57 -9.304 -1.854 0.962 1.00 0.00 C ATOM 821 O ASN A 57 -10.169 -2.608 1.408 1.00 0.00 O ATOM 822 CB ASN A 57 -10.786 -0.193 -0.180 1.00 0.00 C ATOM 823 CG ASN A 57 -12.112 -0.298 0.547 1.00 0.00 C ATOM 824 OD1 ASN A 57 -12.822 0.820 0.648 1.00 0.00 O flip ATOM 825 ND2 ASN A 57 -12.495 -1.372 1.013 1.00 0.00 N flip ATOM 0 H ASN A 57 -8.492 0.562 -0.766 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.827 0.073 1.727 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.720 0.778 -0.670 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.744 -0.949 -0.964 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.917 -2.207 0.912 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.390 -1.427 1.499 1.00 0.00 H new ATOM 832 N TYR A 58 -8.085 -2.266 0.633 1.00 0.00 N ATOM 833 CA TYR A 58 -7.684 -3.660 0.778 1.00 0.00 C ATOM 834 C TYR A 58 -6.560 -3.800 1.800 1.00 0.00 C ATOM 835 O TYR A 58 -6.300 -4.891 2.310 1.00 0.00 O ATOM 836 CB TYR A 58 -7.237 -4.227 -0.570 1.00 0.00 C ATOM 837 CG TYR A 58 -8.380 -4.710 -1.433 1.00 0.00 C ATOM 838 CD1 TYR A 58 -9.080 -5.866 -1.111 1.00 0.00 C ATOM 839 CD2 TYR A 58 -8.762 -4.009 -2.571 1.00 0.00 C ATOM 840 CE1 TYR A 58 -10.125 -6.311 -1.897 1.00 0.00 C ATOM 841 CE2 TYR A 58 -9.807 -4.446 -3.362 1.00 0.00 C ATOM 842 CZ TYR A 58 -10.485 -5.598 -3.021 1.00 0.00 C ATOM 843 OH TYR A 58 -11.526 -6.037 -3.806 1.00 0.00 O ATOM 0 H TYR A 58 -7.357 -1.654 0.264 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.546 -4.224 1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.683 -3.460 -1.111 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.549 -5.054 -0.396 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.802 -6.427 -0.231 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.233 -3.107 -2.841 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.657 -7.213 -1.633 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.092 -3.889 -4.242 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.651 -5.421 -4.558 1.00 0.00 H new ATOM 853 N VAL A 59 -5.894 -2.688 2.095 1.00 0.00 N ATOM 854 CA VAL A 59 -4.798 -2.684 3.056 1.00 0.00 C ATOM 855 C VAL A 59 -5.065 -1.700 4.189 1.00 0.00 C ATOM 856 O VAL A 59 -5.601 -0.614 3.968 1.00 0.00 O ATOM 857 CB VAL A 59 -3.461 -2.325 2.382 1.00 0.00 C ATOM 858 CG1 VAL A 59 -3.357 -2.987 1.016 1.00 0.00 C ATOM 859 CG2 VAL A 59 -3.313 -0.816 2.265 1.00 0.00 C ATOM 0 H VAL A 59 -6.095 -1.777 1.682 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.730 -3.693 3.463 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.648 -2.700 3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.406 -2.722 0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.416 -4.069 1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.175 -2.645 0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.363 -0.580 1.786 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.131 -0.416 1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.340 -0.370 3.259 1.00 0.00 H new ATOM 869 N GLU A 60 -4.686 -2.086 5.403 1.00 0.00 N ATOM 870 CA GLU A 60 -4.884 -1.236 6.572 1.00 0.00 C ATOM 871 C GLU A 60 -3.633 -0.413 6.864 1.00 0.00 C ATOM 872 O GLU A 60 -2.518 -0.934 6.852 1.00 0.00 O ATOM 873 CB GLU A 60 -5.246 -2.085 7.792 1.00 0.00 C ATOM 874 CG GLU A 60 -5.915 -1.297 8.905 1.00 0.00 C ATOM 875 CD GLU A 60 -7.203 -0.632 8.457 1.00 0.00 C ATOM 876 OE1 GLU A 60 -8.147 -1.360 8.085 1.00 0.00 O ATOM 877 OE2 GLU A 60 -7.266 0.615 8.478 1.00 0.00 O ATOM 0 H GLU A 60 -4.240 -2.981 5.603 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.706 -0.553 6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.910 -2.891 7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.341 -2.551 8.182 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.127 -1.964 9.741 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.226 -0.536 9.271 1.00 0.00 H new ATOM 884 N ILE A 61 -3.828 0.876 7.125 1.00 0.00 N ATOM 885 CA ILE A 61 -2.716 1.771 7.421 1.00 0.00 C ATOM 886 C ILE A 61 -2.373 1.749 8.907 1.00 0.00 C ATOM 887 O ILE A 61 -3.154 2.204 9.743 1.00 0.00 O ATOM 888 CB ILE A 61 -3.032 3.219 7.000 1.00 0.00 C ATOM 889 CG1 ILE A 61 -3.537 3.254 5.556 1.00 0.00 C ATOM 890 CG2 ILE A 61 -1.800 4.097 7.158 1.00 0.00 C ATOM 891 CD1 ILE A 61 -2.481 2.888 4.538 1.00 0.00 C ATOM 0 H ILE A 61 -4.745 1.323 7.137 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.861 1.413 6.848 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.817 3.608 7.649 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.379 2.568 5.457 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.912 4.253 5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.039 5.117 6.857 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.481 4.092 8.200 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.996 3.712 6.530 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.909 2.934 3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.649 3.588 4.609 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.122 1.877 4.733 1.00 0.00 H new ATOM 903 N LEU A 62 -1.199 1.218 9.229 1.00 0.00 N ATOM 904 CA LEU A 62 -0.749 1.138 10.614 1.00 0.00 C ATOM 905 C LEU A 62 0.055 2.376 10.998 1.00 0.00 C ATOM 906 O LEU A 62 -0.094 2.910 12.098 1.00 0.00 O ATOM 907 CB LEU A 62 0.097 -0.119 10.825 1.00 0.00 C ATOM 908 CG LEU A 62 -0.405 -1.389 10.136 1.00 0.00 C ATOM 909 CD1 LEU A 62 0.761 -2.298 9.778 1.00 0.00 C ATOM 910 CD2 LEU A 62 -1.401 -2.120 11.025 1.00 0.00 C ATOM 0 H LEU A 62 -0.541 0.836 8.549 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.630 1.087 11.253 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.109 0.085 10.474 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.164 -0.312 11.896 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.913 -1.104 9.215 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.385 -3.197 9.289 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.437 -1.773 9.103 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.297 -2.576 10.685 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.748 -3.021 10.519 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.919 -2.394 11.963 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.251 -1.469 11.230 1.00 0.00 H new ATOM 922 N VAL A 63 0.906 2.830 10.084 1.00 0.00 N ATOM 923 CA VAL A 63 1.732 4.007 10.325 1.00 0.00 C ATOM 924 C VAL A 63 1.393 5.125 9.346 1.00 0.00 C ATOM 925 O VAL A 63 1.663 5.020 8.150 1.00 0.00 O ATOM 926 CB VAL A 63 3.231 3.674 10.210 1.00 0.00 C ATOM 927 CG1 VAL A 63 4.056 4.950 10.124 1.00 0.00 C ATOM 928 CG2 VAL A 63 3.679 2.819 11.385 1.00 0.00 C ATOM 0 H VAL A 63 1.042 2.400 9.169 1.00 0.00 H new ATOM 0 HA VAL A 63 1.520 4.341 11.341 1.00 0.00 H new ATOM 0 HB VAL A 63 3.389 3.104 9.295 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.113 4.695 10.043 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.752 5.521 9.247 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.895 5.549 11.020 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.741 2.593 11.287 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.507 3.360 12.315 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.110 1.889 11.396 1.00 0.00 H new ATOM 938 N ALA A 64 0.801 6.197 9.862 1.00 0.00 N ATOM 939 CA ALA A 64 0.428 7.337 9.034 1.00 0.00 C ATOM 940 C ALA A 64 1.653 7.962 8.376 1.00 0.00 C ATOM 941 O ALA A 64 2.648 8.252 9.042 1.00 0.00 O ATOM 942 CB ALA A 64 -0.314 8.373 9.865 1.00 0.00 C ATOM 0 H ALA A 64 0.569 6.300 10.850 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.233 6.980 8.244 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.586 9.219 9.234 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.216 7.926 10.282 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.328 8.717 10.675 1.00 0.00 H new ATOM 948 N LEU A 65 1.576 8.167 7.066 1.00 0.00 N ATOM 949 CA LEU A 65 2.680 8.758 6.317 1.00 0.00 C ATOM 950 C LEU A 65 3.176 10.032 6.993 1.00 0.00 C ATOM 951 O LEU A 65 2.461 10.675 7.762 1.00 0.00 O ATOM 952 CB LEU A 65 2.243 9.065 4.883 1.00 0.00 C ATOM 953 CG LEU A 65 2.331 7.904 3.892 1.00 0.00 C ATOM 954 CD1 LEU A 65 1.414 8.146 2.703 1.00 0.00 C ATOM 955 CD2 LEU A 65 3.767 7.706 3.428 1.00 0.00 C ATOM 0 H LEU A 65 0.760 7.933 6.500 1.00 0.00 H new ATOM 0 HA LEU A 65 3.498 8.038 6.295 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.212 9.419 4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.854 9.885 4.506 1.00 0.00 H new ATOM 0 HG LEU A 65 2.005 6.995 4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.490 7.309 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.385 8.237 3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.709 9.065 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.810 6.876 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.120 8.615 2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.400 7.486 4.288 1.00 0.00 H new ATOM 967 N PRO A 66 4.430 10.408 6.699 1.00 0.00 N ATOM 968 CA PRO A 66 5.049 11.610 7.266 1.00 0.00 C ATOM 969 C PRO A 66 4.432 12.893 6.720 1.00 0.00 C ATOM 970 O PRO A 66 4.826 13.995 7.102 1.00 0.00 O ATOM 971 CB PRO A 66 6.512 11.493 6.832 1.00 0.00 C ATOM 972 CG PRO A 66 6.476 10.654 5.601 1.00 0.00 C ATOM 973 CD PRO A 66 5.339 9.689 5.791 1.00 0.00 C ATOM 0 HA PRO A 66 4.913 11.668 8.346 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.945 12.473 6.631 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.120 11.030 7.609 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.322 11.269 4.714 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.418 10.124 5.462 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.854 9.448 4.845 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.678 8.748 6.224 1.00 0.00 H new