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 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -52:sc= -1.29 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 -49:sc= 0.234 USER MOD Single : A 36 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.3) USER MOD Single : A 37 GLN : amide:sc= -2.02 K(o=-2,f=-2.8!) USER MOD Single : A 41 ASN : amide:sc= -0.365 X(o=-0.36,f=-0.11) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -174:sc= 0 (180deg=-0.019) USER MOD Single : A 48 HIS : no HD1:sc= -0.015 X(o=-0.015,f=-0.0099) USER MOD Single : A 50 HIS : no HD1:sc= -0.308 X(o=-0.31,f=0) USER MOD Single : A 51 SER OG : rot 25:sc= 0.136 USER MOD Single : A 57 ASN : amide:sc= -1.4 K(o=-1.4,f=-5.8!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 9.303 2.588 9.022 1.00 0.00 N ATOM 60 CA GLY A 7 8.571 3.643 8.346 1.00 0.00 C ATOM 61 C GLY A 7 7.103 3.309 8.169 1.00 0.00 C ATOM 62 O GLY A 7 6.571 2.398 8.804 1.00 0.00 O ATOM 0 HA2 GLY A 7 8.664 4.568 8.915 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.020 3.824 7.369 1.00 0.00 H new ATOM 66 N PRO A 8 6.423 4.059 7.288 1.00 0.00 N ATOM 67 CA PRO A 8 4.998 3.856 7.010 1.00 0.00 C ATOM 68 C PRO A 8 4.733 2.557 6.257 1.00 0.00 C ATOM 69 O PRO A 8 5.227 2.361 5.146 1.00 0.00 O ATOM 70 CB PRO A 8 4.632 5.062 6.142 1.00 0.00 C ATOM 71 CG PRO A 8 5.912 5.468 5.498 1.00 0.00 C ATOM 72 CD PRO A 8 6.994 5.161 6.496 1.00 0.00 C ATOM 0 HA PRO A 8 4.411 3.778 7.925 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.880 4.800 5.398 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.217 5.871 6.743 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.072 4.921 4.569 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.903 6.528 5.246 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.921 4.865 6.005 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.224 6.026 7.118 1.00 0.00 H new ATOM 80 N CYS A 9 3.951 1.674 6.868 1.00 0.00 N ATOM 81 CA CYS A 9 3.621 0.392 6.255 1.00 0.00 C ATOM 82 C CYS A 9 2.149 0.052 6.465 1.00 0.00 C ATOM 83 O CYS A 9 1.511 0.559 7.389 1.00 0.00 O ATOM 84 CB CYS A 9 4.501 -0.716 6.834 1.00 0.00 C ATOM 85 SG CYS A 9 4.152 -1.106 8.565 1.00 0.00 S ATOM 0 H CYS A 9 3.534 1.822 7.787 1.00 0.00 H new ATOM 0 HA CYS A 9 3.808 0.471 5.184 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.371 -1.618 6.236 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.546 -0.420 6.743 1.00 0.00 H new ATOM 0 HG CYS A 9 4.945 -2.056 8.964 1.00 0.00 H new ATOM 91 N CYS A 10 1.617 -0.806 5.603 1.00 0.00 N ATOM 92 CA CYS A 10 0.219 -1.212 5.692 1.00 0.00 C ATOM 93 C CYS A 10 0.087 -2.730 5.615 1.00 0.00 C ATOM 94 O CYS A 10 0.922 -3.405 5.012 1.00 0.00 O ATOM 95 CB CYS A 10 -0.596 -0.560 4.575 1.00 0.00 C ATOM 96 SG CYS A 10 -0.178 -1.149 2.917 1.00 0.00 S ATOM 0 H CYS A 10 2.132 -1.234 4.834 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.169 -0.880 6.655 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.655 -0.743 4.758 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.448 0.519 4.614 1.00 0.00 H new ATOM 0 HG CYS A 10 1.105 -1.048 2.731 1.00 0.00 H new ATOM 102 N ARG A 11 -0.965 -3.260 6.231 1.00 0.00 N ATOM 103 CA ARG A 11 -1.203 -4.698 6.235 1.00 0.00 C ATOM 104 C ARG A 11 -2.339 -5.063 5.282 1.00 0.00 C ATOM 105 O ARG A 11 -3.372 -4.395 5.249 1.00 0.00 O ATOM 106 CB ARG A 11 -1.535 -5.178 7.649 1.00 0.00 C ATOM 107 CG ARG A 11 -1.842 -6.664 7.731 1.00 0.00 C ATOM 108 CD ARG A 11 -2.077 -7.106 9.167 1.00 0.00 C ATOM 109 NE ARG A 11 -3.298 -6.529 9.724 1.00 0.00 N ATOM 110 CZ ARG A 11 -3.539 -6.438 11.027 1.00 0.00 C ATOM 111 NH1 ARG A 11 -2.649 -6.883 11.903 1.00 0.00 N ATOM 112 NH2 ARG A 11 -4.673 -5.899 11.457 1.00 0.00 N ATOM 0 H ARG A 11 -1.666 -2.715 6.733 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.293 -5.193 5.896 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.696 -4.952 8.307 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.392 -4.617 8.022 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.724 -6.888 7.131 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.015 -7.232 7.305 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.139 -8.194 9.206 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.225 -6.813 9.781 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.004 -6.177 9.077 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.776 -7.297 11.577 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.838 -6.811 12.903 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.360 -5.554 10.787 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.857 -5.829 12.458 1.00 0.00 H new ATOM 126 N ALA A 12 -2.138 -6.126 4.510 1.00 0.00 N ATOM 127 CA ALA A 12 -3.145 -6.580 3.559 1.00 0.00 C ATOM 128 C ALA A 12 -4.228 -7.397 4.255 1.00 0.00 C ATOM 129 O ALA A 12 -3.933 -8.311 5.025 1.00 0.00 O ATOM 130 CB ALA A 12 -2.495 -7.397 2.452 1.00 0.00 C ATOM 0 H ALA A 12 -1.287 -6.689 4.525 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.616 -5.701 3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.259 -7.730 1.749 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.763 -6.783 1.928 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.997 -8.265 2.885 1.00 0.00 H new ATOM 136 N LEU A 13 -5.484 -7.061 3.980 1.00 0.00 N ATOM 137 CA LEU A 13 -6.613 -7.764 4.580 1.00 0.00 C ATOM 138 C LEU A 13 -7.185 -8.798 3.617 1.00 0.00 C ATOM 139 O LEU A 13 -7.817 -9.769 4.035 1.00 0.00 O ATOM 140 CB LEU A 13 -7.702 -6.769 4.984 1.00 0.00 C ATOM 141 CG LEU A 13 -7.287 -5.689 5.985 1.00 0.00 C ATOM 142 CD1 LEU A 13 -8.107 -4.425 5.776 1.00 0.00 C ATOM 143 CD2 LEU A 13 -7.440 -6.197 7.411 1.00 0.00 C ATOM 0 H LEU A 13 -5.746 -6.306 3.346 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.255 -8.283 5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.071 -6.279 4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.537 -7.327 5.407 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.237 -5.448 5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.798 -3.668 6.497 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.947 -4.050 4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.164 -4.650 5.916 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.140 -5.416 8.110 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.481 -6.466 7.592 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.809 -7.074 7.555 1.00 0.00 H new ATOM 155 N TYR A 14 -6.958 -8.586 2.325 1.00 0.00 N ATOM 156 CA TYR A 14 -7.451 -9.500 1.302 1.00 0.00 C ATOM 157 C TYR A 14 -6.358 -9.824 0.289 1.00 0.00 C ATOM 158 O TYR A 14 -5.219 -9.376 0.422 1.00 0.00 O ATOM 159 CB TYR A 14 -8.661 -8.894 0.587 1.00 0.00 C ATOM 160 CG TYR A 14 -9.949 -9.013 1.370 1.00 0.00 C ATOM 161 CD1 TYR A 14 -10.132 -8.311 2.555 1.00 0.00 C ATOM 162 CD2 TYR A 14 -10.982 -9.828 0.925 1.00 0.00 C ATOM 163 CE1 TYR A 14 -11.307 -8.417 3.274 1.00 0.00 C ATOM 164 CE2 TYR A 14 -12.161 -9.940 1.637 1.00 0.00 C ATOM 165 CZ TYR A 14 -12.318 -9.232 2.810 1.00 0.00 C ATOM 166 OH TYR A 14 -13.491 -9.341 3.523 1.00 0.00 O ATOM 0 H TYR A 14 -6.436 -7.789 1.962 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.753 -10.425 1.793 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.464 -7.841 0.386 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.786 -9.385 -0.378 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.342 -7.671 2.920 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.862 -10.384 0.007 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.433 -7.865 4.194 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.955 -10.578 1.277 1.00 0.00 H new ATOM 0 HH TYR A 14 -14.100 -9.953 3.060 1.00 0.00 H new ATOM 176 N ASP A 15 -6.713 -10.606 -0.725 1.00 0.00 N ATOM 177 CA ASP A 15 -5.764 -10.991 -1.763 1.00 0.00 C ATOM 178 C ASP A 15 -6.093 -10.301 -3.083 1.00 0.00 C ATOM 179 O ASP A 15 -7.080 -10.634 -3.740 1.00 0.00 O ATOM 180 CB ASP A 15 -5.768 -12.509 -1.951 1.00 0.00 C ATOM 181 CG ASP A 15 -5.552 -13.254 -0.649 1.00 0.00 C ATOM 182 OD1 ASP A 15 -4.429 -13.190 -0.107 1.00 0.00 O ATOM 183 OD2 ASP A 15 -6.507 -13.901 -0.171 1.00 0.00 O ATOM 0 H ASP A 15 -7.651 -10.986 -0.850 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.770 -10.675 -1.447 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.718 -12.816 -2.388 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.987 -12.787 -2.659 1.00 0.00 H new ATOM 188 N PHE A 16 -5.262 -9.337 -3.465 1.00 0.00 N ATOM 189 CA PHE A 16 -5.466 -8.599 -4.706 1.00 0.00 C ATOM 190 C PHE A 16 -4.902 -9.369 -5.896 1.00 0.00 C ATOM 191 O PHE A 16 -3.759 -9.824 -5.868 1.00 0.00 O ATOM 192 CB PHE A 16 -4.808 -7.220 -4.618 1.00 0.00 C ATOM 193 CG PHE A 16 -4.985 -6.391 -5.857 1.00 0.00 C ATOM 194 CD1 PHE A 16 -6.163 -6.451 -6.584 1.00 0.00 C ATOM 195 CD2 PHE A 16 -3.974 -5.551 -6.296 1.00 0.00 C ATOM 196 CE1 PHE A 16 -6.329 -5.690 -7.726 1.00 0.00 C ATOM 197 CE2 PHE A 16 -4.134 -4.787 -7.436 1.00 0.00 C ATOM 198 CZ PHE A 16 -5.313 -4.856 -8.152 1.00 0.00 C ATOM 0 H PHE A 16 -4.441 -9.049 -2.933 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.539 -8.474 -4.853 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -5.225 -6.681 -3.767 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.743 -7.346 -4.424 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.961 -7.100 -6.255 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.050 -5.493 -5.740 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -7.252 -5.747 -8.285 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.338 -4.136 -7.767 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.441 -4.259 -9.043 1.00 0.00 H new ATOM 208 N GLU A 17 -5.713 -9.511 -6.940 1.00 0.00 N ATOM 209 CA GLU A 17 -5.295 -10.227 -8.140 1.00 0.00 C ATOM 210 C GLU A 17 -5.335 -9.312 -9.361 1.00 0.00 C ATOM 211 O GLU A 17 -6.369 -9.143 -10.007 1.00 0.00 O ATOM 212 CB GLU A 17 -6.191 -11.445 -8.371 1.00 0.00 C ATOM 213 CG GLU A 17 -5.850 -12.221 -9.632 1.00 0.00 C ATOM 214 CD GLU A 17 -6.183 -13.696 -9.518 1.00 0.00 C ATOM 215 OE1 GLU A 17 -5.975 -14.269 -8.429 1.00 0.00 O ATOM 216 OE2 GLU A 17 -6.653 -14.276 -10.519 1.00 0.00 O ATOM 0 H GLU A 17 -6.662 -9.140 -6.979 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.268 -10.563 -7.993 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.112 -12.111 -7.512 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.229 -11.117 -8.426 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.393 -11.794 -10.475 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.787 -12.108 -9.847 1.00 0.00 H new ATOM 223 N PRO A 18 -4.182 -8.708 -9.684 1.00 0.00 N ATOM 224 CA PRO A 18 -4.058 -7.800 -10.829 1.00 0.00 C ATOM 225 C PRO A 18 -4.163 -8.532 -12.163 1.00 0.00 C ATOM 226 O PRO A 18 -3.839 -9.716 -12.258 1.00 0.00 O ATOM 227 CB PRO A 18 -2.661 -7.200 -10.656 1.00 0.00 C ATOM 228 CG PRO A 18 -1.906 -8.216 -9.871 1.00 0.00 C ATOM 229 CD PRO A 18 -2.911 -8.864 -8.958 1.00 0.00 C ATOM 0 HA PRO A 18 -4.856 -7.058 -10.849 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.188 -7.014 -11.620 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.702 -6.245 -10.131 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.444 -8.953 -10.528 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.103 -7.750 -9.300 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.675 -9.913 -8.781 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.942 -8.376 -7.984 1.00 0.00 H new ATOM 288 N GLU A 23 -0.106 -2.466 -11.798 1.00 0.00 N ATOM 289 CA GLU A 23 -0.850 -2.756 -10.577 1.00 0.00 C ATOM 290 C GLU A 23 -0.050 -3.674 -9.658 1.00 0.00 C ATOM 291 O GLU A 23 0.437 -4.724 -10.080 1.00 0.00 O ATOM 292 CB GLU A 23 -2.196 -3.401 -10.915 1.00 0.00 C ATOM 293 CG GLU A 23 -3.127 -2.491 -11.698 1.00 0.00 C ATOM 294 CD GLU A 23 -4.478 -3.127 -11.961 1.00 0.00 C ATOM 295 OE1 GLU A 23 -5.274 -3.244 -11.006 1.00 0.00 O ATOM 296 OE2 GLU A 23 -4.739 -3.508 -13.122 1.00 0.00 O ATOM 0 HA GLU A 23 -1.027 -1.815 -10.057 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.020 -4.309 -11.491 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.688 -3.701 -9.990 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.268 -1.561 -11.147 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.661 -2.231 -12.648 1.00 0.00 H new ATOM 303 N LEU A 24 0.083 -3.270 -8.399 1.00 0.00 N ATOM 304 CA LEU A 24 0.824 -4.055 -7.418 1.00 0.00 C ATOM 305 C LEU A 24 -0.095 -5.037 -6.699 1.00 0.00 C ATOM 306 O LEU A 24 -1.014 -4.635 -5.986 1.00 0.00 O ATOM 307 CB LEU A 24 1.498 -3.132 -6.401 1.00 0.00 C ATOM 308 CG LEU A 24 2.640 -3.747 -5.591 1.00 0.00 C ATOM 309 CD1 LEU A 24 3.849 -3.998 -6.478 1.00 0.00 C ATOM 310 CD2 LEU A 24 3.011 -2.844 -4.423 1.00 0.00 C ATOM 0 H LEU A 24 -0.313 -2.404 -8.034 1.00 0.00 H new ATOM 0 HA LEU A 24 1.589 -4.623 -7.947 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.883 -2.260 -6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.738 -2.773 -5.706 1.00 0.00 H new ATOM 0 HG LEU A 24 2.303 -4.704 -5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.651 -4.436 -5.884 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.576 -4.684 -7.280 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.188 -3.055 -6.907 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.825 -3.297 -3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.328 -1.872 -4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.145 -2.715 -3.773 1.00 0.00 H new ATOM 322 N GLY A 25 0.160 -6.328 -6.891 1.00 0.00 N ATOM 323 CA GLY A 25 -0.652 -7.348 -6.252 1.00 0.00 C ATOM 324 C GLY A 25 -0.076 -7.802 -4.926 1.00 0.00 C ATOM 325 O GLY A 25 1.104 -8.143 -4.838 1.00 0.00 O ATOM 0 H GLY A 25 0.914 -6.686 -7.477 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.658 -6.960 -6.094 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.742 -8.206 -6.918 1.00 0.00 H new ATOM 329 N PHE A 26 -0.908 -7.805 -3.890 1.00 0.00 N ATOM 330 CA PHE A 26 -0.474 -8.218 -2.561 1.00 0.00 C ATOM 331 C PHE A 26 -1.308 -9.392 -2.057 1.00 0.00 C ATOM 332 O PHE A 26 -2.249 -9.830 -2.719 1.00 0.00 O ATOM 333 CB PHE A 26 -0.576 -7.047 -1.581 1.00 0.00 C ATOM 334 CG PHE A 26 -1.964 -6.485 -1.462 1.00 0.00 C ATOM 335 CD1 PHE A 26 -2.990 -7.246 -0.924 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.243 -5.196 -1.887 1.00 0.00 C ATOM 337 CE1 PHE A 26 -4.268 -6.732 -0.812 1.00 0.00 C ATOM 338 CE2 PHE A 26 -3.519 -4.677 -1.777 1.00 0.00 C ATOM 339 CZ PHE A 26 -4.533 -5.446 -1.240 1.00 0.00 C ATOM 0 H PHE A 26 -1.887 -7.526 -3.946 1.00 0.00 H new ATOM 0 HA PHE A 26 0.566 -8.537 -2.628 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.240 -7.376 -0.598 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.102 -6.256 -1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.788 -8.253 -0.588 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.455 -4.590 -2.309 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.058 -7.335 -0.390 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.723 -3.670 -2.111 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.531 -5.042 -1.155 1.00 0.00 H new ATOM 349 N LYS A 27 -0.955 -9.898 -0.880 1.00 0.00 N ATOM 350 CA LYS A 27 -1.669 -11.021 -0.284 1.00 0.00 C ATOM 351 C LYS A 27 -1.910 -10.785 1.203 1.00 0.00 C ATOM 352 O LYS A 27 -1.011 -10.359 1.926 1.00 0.00 O ATOM 353 CB LYS A 27 -0.881 -12.317 -0.485 1.00 0.00 C ATOM 354 CG LYS A 27 -0.835 -12.784 -1.929 1.00 0.00 C ATOM 355 CD LYS A 27 -0.568 -14.277 -2.025 1.00 0.00 C ATOM 356 CE LYS A 27 0.037 -14.651 -3.369 1.00 0.00 C ATOM 357 NZ LYS A 27 1.493 -14.342 -3.427 1.00 0.00 N ATOM 0 H LYS A 27 -0.178 -9.548 -0.320 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.635 -11.110 -0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.138 -12.172 -0.126 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.326 -13.101 0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.781 -12.551 -2.418 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.057 -12.239 -2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.107 -14.579 -1.224 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.499 -14.824 -1.879 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.116 -15.714 -3.553 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.481 -14.112 -4.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.868 -14.611 -4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.638 -13.323 -3.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.991 -14.875 -2.686 1.00 0.00 H new ATOM 371 N GLU A 28 -3.129 -11.067 1.652 1.00 0.00 N ATOM 372 CA GLU A 28 -3.487 -10.885 3.054 1.00 0.00 C ATOM 373 C GLU A 28 -2.330 -11.282 3.967 1.00 0.00 C ATOM 374 O GLU A 28 -1.734 -12.346 3.804 1.00 0.00 O ATOM 375 CB GLU A 28 -4.728 -11.711 3.398 1.00 0.00 C ATOM 376 CG GLU A 28 -5.144 -11.607 4.856 1.00 0.00 C ATOM 377 CD GLU A 28 -4.205 -12.352 5.785 1.00 0.00 C ATOM 378 OE1 GLU A 28 -3.995 -13.564 5.570 1.00 0.00 O ATOM 379 OE2 GLU A 28 -3.678 -11.722 6.726 1.00 0.00 O ATOM 0 H GLU A 28 -3.885 -11.422 1.066 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.707 -9.829 3.212 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.556 -11.386 2.769 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.536 -12.757 3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.179 -10.557 5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.153 -12.003 4.971 1.00 0.00 H new ATOM 386 N GLY A 29 -2.018 -10.417 4.927 1.00 0.00 N ATOM 387 CA GLY A 29 -0.933 -10.694 5.851 1.00 0.00 C ATOM 388 C GLY A 29 0.367 -10.035 5.433 1.00 0.00 C ATOM 389 O GLY A 29 1.219 -9.742 6.272 1.00 0.00 O ATOM 0 H GLY A 29 -2.497 -9.530 5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.210 -10.346 6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.785 -11.772 5.920 1.00 0.00 H new ATOM 393 N ASP A 30 0.519 -9.803 4.135 1.00 0.00 N ATOM 394 CA ASP A 30 1.725 -9.175 3.607 1.00 0.00 C ATOM 395 C ASP A 30 1.703 -7.668 3.847 1.00 0.00 C ATOM 396 O ASP A 30 0.650 -7.035 3.778 1.00 0.00 O ATOM 397 CB ASP A 30 1.863 -9.463 2.111 1.00 0.00 C ATOM 398 CG ASP A 30 2.251 -10.902 1.832 1.00 0.00 C ATOM 399 OD1 ASP A 30 1.469 -11.808 2.193 1.00 0.00 O ATOM 400 OD2 ASP A 30 3.335 -11.123 1.253 1.00 0.00 O ATOM 0 H ASP A 30 -0.177 -10.040 3.428 1.00 0.00 H new ATOM 0 HA ASP A 30 2.583 -9.596 4.131 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.919 -9.241 1.613 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.613 -8.798 1.684 1.00 0.00 H new ATOM 405 N ILE A 31 2.872 -7.102 4.130 1.00 0.00 N ATOM 406 CA ILE A 31 2.986 -5.671 4.380 1.00 0.00 C ATOM 407 C ILE A 31 3.523 -4.940 3.155 1.00 0.00 C ATOM 408 O ILE A 31 4.615 -5.239 2.671 1.00 0.00 O ATOM 409 CB ILE A 31 3.905 -5.381 5.581 1.00 0.00 C ATOM 410 CG1 ILE A 31 3.585 -6.331 6.738 1.00 0.00 C ATOM 411 CG2 ILE A 31 3.759 -3.933 6.023 1.00 0.00 C ATOM 412 CD1 ILE A 31 2.403 -5.890 7.572 1.00 0.00 C ATOM 0 H ILE A 31 3.753 -7.613 4.192 1.00 0.00 H new ATOM 0 HA ILE A 31 1.983 -5.309 4.605 1.00 0.00 H new ATOM 0 HB ILE A 31 4.938 -5.545 5.276 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.386 -7.325 6.337 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.461 -6.416 7.381 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.415 -3.744 6.873 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.032 -3.272 5.200 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.726 -3.744 6.313 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.234 -6.610 8.373 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.607 -4.910 8.002 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.515 -5.832 6.943 1.00 0.00 H new ATOM 424 N ILE A 32 2.750 -3.979 2.660 1.00 0.00 N ATOM 425 CA ILE A 32 3.149 -3.203 1.493 1.00 0.00 C ATOM 426 C ILE A 32 3.762 -1.868 1.904 1.00 0.00 C ATOM 427 O ILE A 32 3.083 -1.006 2.461 1.00 0.00 O ATOM 428 CB ILE A 32 1.956 -2.940 0.556 1.00 0.00 C ATOM 429 CG1 ILE A 32 1.263 -4.256 0.195 1.00 0.00 C ATOM 430 CG2 ILE A 32 2.418 -2.217 -0.701 1.00 0.00 C ATOM 431 CD1 ILE A 32 0.214 -4.682 1.198 1.00 0.00 C ATOM 0 H ILE A 32 1.844 -3.719 3.049 1.00 0.00 H new ATOM 0 HA ILE A 32 3.894 -3.795 0.961 1.00 0.00 H new ATOM 0 HB ILE A 32 1.239 -2.304 1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.797 -4.155 -0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.014 -5.042 0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.563 -2.038 -1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.871 -1.264 -0.427 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.152 -2.830 -1.224 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.235 -5.622 0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.678 -4.816 2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.558 -3.915 1.265 1.00 0.00 H new ATOM 443 N THR A 33 5.051 -1.704 1.623 1.00 0.00 N ATOM 444 CA THR A 33 5.756 -0.474 1.962 1.00 0.00 C ATOM 445 C THR A 33 5.063 0.742 1.358 1.00 0.00 C ATOM 446 O THR A 33 4.339 0.628 0.368 1.00 0.00 O ATOM 447 CB THR A 33 7.217 -0.512 1.477 1.00 0.00 C ATOM 448 OG1 THR A 33 7.879 -1.668 2.002 1.00 0.00 O ATOM 449 CG2 THR A 33 7.963 0.743 1.905 1.00 0.00 C ATOM 0 H THR A 33 5.628 -2.407 1.162 1.00 0.00 H new ATOM 0 HA THR A 33 5.744 -0.392 3.049 1.00 0.00 H new ATOM 0 HB THR A 33 7.213 -0.560 0.388 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.807 -1.685 1.687 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.993 0.693 1.551 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.475 1.620 1.479 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.957 0.817 2.992 1.00 0.00 H new ATOM 457 N LEU A 34 5.289 1.905 1.959 1.00 0.00 N ATOM 458 CA LEU A 34 4.686 3.143 1.480 1.00 0.00 C ATOM 459 C LEU A 34 5.758 4.163 1.109 1.00 0.00 C ATOM 460 O LEU A 34 6.734 4.348 1.837 1.00 0.00 O ATOM 461 CB LEU A 34 3.757 3.728 2.545 1.00 0.00 C ATOM 462 CG LEU A 34 2.386 3.065 2.677 1.00 0.00 C ATOM 463 CD1 LEU A 34 1.846 3.232 4.090 1.00 0.00 C ATOM 464 CD2 LEU A 34 1.413 3.645 1.661 1.00 0.00 C ATOM 0 H LEU A 34 5.886 2.016 2.779 1.00 0.00 H new ATOM 0 HA LEU A 34 4.105 2.912 0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.261 3.670 3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.607 4.785 2.327 1.00 0.00 H new ATOM 0 HG LEU A 34 2.498 2.000 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.869 2.754 4.165 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.532 2.769 4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.749 4.293 4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.442 3.161 1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.306 4.716 1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.793 3.473 0.654 1.00 0.00 H new ATOM 476 N THR A 35 5.570 4.824 -0.029 1.00 0.00 N ATOM 477 CA THR A 35 6.520 5.826 -0.497 1.00 0.00 C ATOM 478 C THR A 35 5.811 7.119 -0.883 1.00 0.00 C ATOM 479 O THR A 35 6.147 8.194 -0.389 1.00 0.00 O ATOM 480 CB THR A 35 7.326 5.315 -1.706 1.00 0.00 C ATOM 481 OG1 THR A 35 6.469 5.184 -2.846 1.00 0.00 O ATOM 482 CG2 THR A 35 7.974 3.973 -1.396 1.00 0.00 C ATOM 0 H THR A 35 4.768 4.683 -0.644 1.00 0.00 H new ATOM 0 HA THR A 35 7.204 6.023 0.329 1.00 0.00 H new ATOM 0 HB THR A 35 8.111 6.039 -1.923 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.665 4.683 -2.595 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.538 3.632 -2.264 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.648 4.082 -0.546 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.201 3.243 -1.155 1.00 0.00 H new ATOM 490 N ASN A 36 4.827 7.006 -1.769 1.00 0.00 N ATOM 491 CA ASN A 36 4.069 8.167 -2.222 1.00 0.00 C ATOM 492 C ASN A 36 2.662 7.764 -2.654 1.00 0.00 C ATOM 493 O ASN A 36 2.333 6.579 -2.701 1.00 0.00 O ATOM 494 CB ASN A 36 4.793 8.854 -3.381 1.00 0.00 C ATOM 495 CG ASN A 36 4.517 10.344 -3.434 1.00 0.00 C ATOM 496 OD1 ASN A 36 3.899 10.840 -4.376 1.00 0.00 O ATOM 497 ND2 ASN A 36 4.975 11.067 -2.418 1.00 0.00 N ATOM 0 H ASN A 36 4.536 6.123 -2.188 1.00 0.00 H new ATOM 0 HA ASN A 36 3.988 8.864 -1.388 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.866 8.689 -3.284 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.484 8.397 -4.321 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.819 12.075 -2.398 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.482 10.614 -1.658 1.00 0.00 H new ATOM 504 N GLN A 37 1.839 8.758 -2.970 1.00 0.00 N ATOM 505 CA GLN A 37 0.468 8.507 -3.398 1.00 0.00 C ATOM 506 C GLN A 37 0.168 9.220 -4.712 1.00 0.00 C ATOM 507 O GLN A 37 0.441 10.412 -4.859 1.00 0.00 O ATOM 508 CB GLN A 37 -0.517 8.963 -2.320 1.00 0.00 C ATOM 509 CG GLN A 37 -1.975 8.761 -2.703 1.00 0.00 C ATOM 510 CD GLN A 37 -2.917 9.626 -1.890 1.00 0.00 C ATOM 511 OE1 GLN A 37 -2.537 10.691 -1.403 1.00 0.00 O ATOM 512 NE2 GLN A 37 -4.156 9.171 -1.738 1.00 0.00 N ATOM 0 H GLN A 37 2.097 9.744 -2.938 1.00 0.00 H new ATOM 0 HA GLN A 37 0.354 7.434 -3.554 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.313 8.417 -1.399 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.348 10.019 -2.109 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.103 8.987 -3.762 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.241 7.713 -2.566 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.428 8.283 -2.159 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.835 9.710 -1.200 1.00 0.00 H new ATOM 521 N ILE A 38 -0.393 8.483 -5.665 1.00 0.00 N ATOM 522 CA ILE A 38 -0.730 9.046 -6.967 1.00 0.00 C ATOM 523 C ILE A 38 -2.220 9.356 -7.063 1.00 0.00 C ATOM 524 O ILE A 38 -2.613 10.424 -7.532 1.00 0.00 O ATOM 525 CB ILE A 38 -0.340 8.092 -8.111 1.00 0.00 C ATOM 526 CG1 ILE A 38 1.180 7.936 -8.179 1.00 0.00 C ATOM 527 CG2 ILE A 38 -0.886 8.602 -9.436 1.00 0.00 C ATOM 528 CD1 ILE A 38 1.710 6.798 -7.335 1.00 0.00 C ATOM 0 H ILE A 38 -0.624 7.495 -5.560 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.162 9.971 -7.067 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.778 7.114 -7.913 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.474 7.776 -9.216 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.647 8.866 -7.855 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.602 7.917 -10.235 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.973 8.665 -9.382 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.475 9.590 -9.643 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.794 6.747 -7.432 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.447 6.966 -6.291 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.271 5.859 -7.673 1.00 0.00 H new ATOM 540 N ASP A 39 -3.044 8.416 -6.614 1.00 0.00 N ATOM 541 CA ASP A 39 -4.491 8.590 -6.646 1.00 0.00 C ATOM 542 C ASP A 39 -5.035 8.884 -5.252 1.00 0.00 C ATOM 543 O ASP A 39 -4.274 9.014 -4.294 1.00 0.00 O ATOM 544 CB ASP A 39 -5.164 7.339 -7.216 1.00 0.00 C ATOM 545 CG ASP A 39 -6.477 7.652 -7.906 1.00 0.00 C ATOM 546 OD1 ASP A 39 -6.445 8.045 -9.091 1.00 0.00 O ATOM 547 OD2 ASP A 39 -7.536 7.503 -7.262 1.00 0.00 O ATOM 0 H ASP A 39 -2.735 7.526 -6.224 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.715 9.440 -7.290 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.490 6.858 -7.925 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.341 6.626 -6.411 1.00 0.00 H new ATOM 552 N GLU A 40 -6.356 8.989 -5.147 1.00 0.00 N ATOM 553 CA GLU A 40 -7.000 9.270 -3.869 1.00 0.00 C ATOM 554 C GLU A 40 -7.264 7.980 -3.098 1.00 0.00 C ATOM 555 O GLU A 40 -7.485 8.002 -1.887 1.00 0.00 O ATOM 556 CB GLU A 40 -8.314 10.023 -4.090 1.00 0.00 C ATOM 557 CG GLU A 40 -8.124 11.497 -4.409 1.00 0.00 C ATOM 558 CD GLU A 40 -7.383 11.720 -5.712 1.00 0.00 C ATOM 559 OE1 GLU A 40 -8.014 11.594 -6.782 1.00 0.00 O ATOM 560 OE2 GLU A 40 -6.172 12.021 -5.663 1.00 0.00 O ATOM 0 H GLU A 40 -7.001 8.884 -5.931 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.327 9.893 -3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.861 9.551 -4.906 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.931 9.930 -3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.099 11.982 -4.462 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.575 11.973 -3.597 1.00 0.00 H new ATOM 567 N ASN A 41 -7.241 6.857 -3.808 1.00 0.00 N ATOM 568 CA ASN A 41 -7.479 5.557 -3.191 1.00 0.00 C ATOM 569 C ASN A 41 -6.371 4.572 -3.554 1.00 0.00 C ATOM 570 O ASN A 41 -6.509 3.366 -3.351 1.00 0.00 O ATOM 571 CB ASN A 41 -8.835 5.001 -3.630 1.00 0.00 C ATOM 572 CG ASN A 41 -9.963 5.442 -2.718 1.00 0.00 C ATOM 573 OD1 ASN A 41 -10.986 5.950 -3.177 1.00 0.00 O ATOM 574 ND2 ASN A 41 -9.781 5.249 -1.416 1.00 0.00 N ATOM 0 H ASN A 41 -7.060 6.821 -4.811 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.482 5.691 -2.109 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.046 5.327 -4.648 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.790 3.912 -3.647 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.505 5.526 -0.753 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.917 4.824 -1.079 1.00 0.00 H new ATOM 581 N TRP A 42 -5.275 5.095 -4.090 1.00 0.00 N ATOM 582 CA TRP A 42 -4.143 4.262 -4.480 1.00 0.00 C ATOM 583 C TRP A 42 -2.844 4.795 -3.886 1.00 0.00 C ATOM 584 O TRP A 42 -2.611 6.003 -3.863 1.00 0.00 O ATOM 585 CB TRP A 42 -4.033 4.197 -6.004 1.00 0.00 C ATOM 586 CG TRP A 42 -5.213 3.546 -6.658 1.00 0.00 C ATOM 587 CD1 TRP A 42 -6.413 4.129 -6.952 1.00 0.00 C ATOM 588 CD2 TRP A 42 -5.308 2.186 -7.097 1.00 0.00 C ATOM 589 NE1 TRP A 42 -7.247 3.214 -7.548 1.00 0.00 N ATOM 590 CE2 TRP A 42 -6.593 2.015 -7.649 1.00 0.00 C ATOM 591 CE3 TRP A 42 -4.432 1.098 -7.080 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -7.020 0.799 -8.176 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -4.858 -0.108 -7.603 1.00 0.00 C ATOM 594 CH2 TRP A 42 -6.142 -0.250 -8.146 1.00 0.00 C ATOM 0 H TRP A 42 -5.146 6.092 -4.265 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.312 3.258 -4.092 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.921 5.208 -6.396 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.130 3.649 -6.273 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.669 5.158 -6.746 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.199 3.398 -7.864 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.440 1.198 -6.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.010 0.688 -8.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.190 -0.956 -7.593 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.444 -1.206 -8.548 1.00 0.00 H new ATOM 605 N TYR A 43 -2.001 3.887 -3.407 1.00 0.00 N ATOM 606 CA TYR A 43 -0.726 4.267 -2.810 1.00 0.00 C ATOM 607 C TYR A 43 0.439 3.847 -3.702 1.00 0.00 C ATOM 608 O TYR A 43 0.240 3.269 -4.769 1.00 0.00 O ATOM 609 CB TYR A 43 -0.578 3.633 -1.426 1.00 0.00 C ATOM 610 CG TYR A 43 -1.119 4.491 -0.306 1.00 0.00 C ATOM 611 CD1 TYR A 43 -0.836 5.850 -0.246 1.00 0.00 C ATOM 612 CD2 TYR A 43 -1.914 3.943 0.694 1.00 0.00 C ATOM 613 CE1 TYR A 43 -1.328 6.638 0.776 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.411 4.724 1.719 1.00 0.00 C ATOM 615 CZ TYR A 43 -2.115 6.071 1.757 1.00 0.00 C ATOM 616 OH TYR A 43 -2.608 6.852 2.776 1.00 0.00 O ATOM 0 H TYR A 43 -2.178 2.882 -3.420 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.710 5.352 -2.708 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.094 2.673 -1.418 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.477 3.430 -1.240 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.220 6.298 -1.012 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.147 2.889 0.669 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.098 7.693 0.807 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.028 4.282 2.487 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.144 6.299 3.382 1.00 0.00 H new ATOM 626 N GLU A 44 1.655 4.144 -3.254 1.00 0.00 N ATOM 627 CA GLU A 44 2.852 3.798 -4.011 1.00 0.00 C ATOM 628 C GLU A 44 3.925 3.215 -3.096 1.00 0.00 C ATOM 629 O GLU A 44 4.349 3.853 -2.133 1.00 0.00 O ATOM 630 CB GLU A 44 3.398 5.031 -4.735 1.00 0.00 C ATOM 631 CG GLU A 44 4.238 4.697 -5.956 1.00 0.00 C ATOM 632 CD GLU A 44 5.232 5.790 -6.298 1.00 0.00 C ATOM 633 OE1 GLU A 44 6.248 5.911 -5.582 1.00 0.00 O ATOM 634 OE2 GLU A 44 4.994 6.524 -7.279 1.00 0.00 O ATOM 0 H GLU A 44 1.837 4.623 -2.372 1.00 0.00 H new ATOM 0 HA GLU A 44 2.579 3.043 -4.749 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.563 5.662 -5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.000 5.614 -4.038 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.775 3.765 -5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.581 4.529 -6.809 1.00 0.00 H new ATOM 641 N GLY A 45 4.360 1.997 -3.404 1.00 0.00 N ATOM 642 CA GLY A 45 5.378 1.348 -2.600 1.00 0.00 C ATOM 643 C GLY A 45 6.137 0.287 -3.372 1.00 0.00 C ATOM 644 O GLY A 45 5.924 0.111 -4.572 1.00 0.00 O ATOM 0 H GLY A 45 4.025 1.448 -4.196 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.079 2.097 -2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.911 0.893 -1.726 1.00 0.00 H new ATOM 648 N MET A 46 7.026 -0.422 -2.684 1.00 0.00 N ATOM 649 CA MET A 46 7.819 -1.471 -3.314 1.00 0.00 C ATOM 650 C MET A 46 7.355 -2.851 -2.858 1.00 0.00 C ATOM 651 O MET A 46 7.290 -3.131 -1.661 1.00 0.00 O ATOM 652 CB MET A 46 9.302 -1.285 -2.986 1.00 0.00 C ATOM 653 CG MET A 46 10.040 -0.410 -3.986 1.00 0.00 C ATOM 654 SD MET A 46 11.823 -0.402 -3.719 1.00 0.00 S ATOM 655 CE MET A 46 11.940 0.606 -2.242 1.00 0.00 C ATOM 0 H MET A 46 7.215 -0.289 -1.691 1.00 0.00 H new ATOM 0 HA MET A 46 7.681 -1.398 -4.393 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.394 -0.845 -1.993 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.783 -2.263 -2.947 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.829 -0.762 -4.996 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.662 0.610 -3.919 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.989 0.793 -2.011 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.430 1.555 -2.408 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.472 0.084 -1.407 1.00 0.00 H new ATOM 665 N LEU A 47 7.034 -3.709 -3.820 1.00 0.00 N ATOM 666 CA LEU A 47 6.576 -5.061 -3.518 1.00 0.00 C ATOM 667 C LEU A 47 6.935 -6.023 -4.645 1.00 0.00 C ATOM 668 O LEU A 47 6.720 -5.727 -5.821 1.00 0.00 O ATOM 669 CB LEU A 47 5.063 -5.068 -3.289 1.00 0.00 C ATOM 670 CG LEU A 47 4.497 -6.302 -2.586 1.00 0.00 C ATOM 671 CD1 LEU A 47 5.085 -6.439 -1.190 1.00 0.00 C ATOM 672 CD2 LEU A 47 2.978 -6.230 -2.522 1.00 0.00 C ATOM 0 H LEU A 47 7.082 -3.493 -4.816 1.00 0.00 H new ATOM 0 HA LEU A 47 7.077 -5.393 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.800 -4.188 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.569 -4.966 -4.255 1.00 0.00 H new ATOM 0 HG LEU A 47 4.775 -7.184 -3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.670 -7.323 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.168 -6.538 -1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.839 -5.554 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.593 -7.117 -2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.679 -5.340 -1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.573 -6.182 -3.533 1.00 0.00 H new ATOM 684 N HIS A 48 7.484 -7.177 -4.279 1.00 0.00 N ATOM 685 CA HIS A 48 7.871 -8.185 -5.260 1.00 0.00 C ATOM 686 C HIS A 48 8.963 -7.653 -6.183 1.00 0.00 C ATOM 687 O HIS A 48 8.998 -7.975 -7.370 1.00 0.00 O ATOM 688 CB HIS A 48 6.658 -8.619 -6.083 1.00 0.00 C ATOM 689 CG HIS A 48 5.910 -9.771 -5.487 1.00 0.00 C ATOM 690 ND1 HIS A 48 5.660 -10.941 -6.172 1.00 0.00 N ATOM 691 CD2 HIS A 48 5.359 -9.930 -4.261 1.00 0.00 C ATOM 692 CE1 HIS A 48 4.985 -11.769 -5.394 1.00 0.00 C ATOM 693 NE2 HIS A 48 4.791 -11.179 -4.228 1.00 0.00 N ATOM 0 H HIS A 48 7.671 -7.437 -3.311 1.00 0.00 H new ATOM 0 HA HIS A 48 8.263 -9.048 -4.722 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.980 -7.772 -6.189 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.988 -8.891 -7.086 1.00 0.00 H new ATOM 0 HD2 HIS A 48 5.365 -9.208 -3.458 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.649 -12.759 -5.665 1.00 0.00 H new ATOM 0 HE2 HIS A 48 4.299 -11.586 -3.432 1.00 0.00 H new ATOM 702 N GLY A 49 9.854 -6.836 -5.629 1.00 0.00 N ATOM 703 CA GLY A 49 10.934 -6.272 -6.417 1.00 0.00 C ATOM 704 C GLY A 49 10.432 -5.371 -7.527 1.00 0.00 C ATOM 705 O GLY A 49 11.133 -5.139 -8.513 1.00 0.00 O ATOM 0 H GLY A 49 9.847 -6.555 -4.649 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.598 -5.704 -5.765 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.525 -7.080 -6.848 1.00 0.00 H new ATOM 709 N HIS A 50 9.214 -4.862 -7.370 1.00 0.00 N ATOM 710 CA HIS A 50 8.618 -3.982 -8.369 1.00 0.00 C ATOM 711 C HIS A 50 7.789 -2.888 -7.704 1.00 0.00 C ATOM 712 O HIS A 50 7.013 -3.155 -6.787 1.00 0.00 O ATOM 713 CB HIS A 50 7.744 -4.786 -9.332 1.00 0.00 C ATOM 714 CG HIS A 50 6.631 -3.989 -9.939 1.00 0.00 C ATOM 715 ND1 HIS A 50 6.812 -3.137 -11.009 1.00 0.00 N ATOM 716 CD2 HIS A 50 5.317 -3.917 -9.622 1.00 0.00 C ATOM 717 CE1 HIS A 50 5.658 -2.576 -11.322 1.00 0.00 C ATOM 718 NE2 HIS A 50 4.735 -3.033 -10.495 1.00 0.00 N ATOM 0 H HIS A 50 8.621 -5.044 -6.561 1.00 0.00 H new ATOM 0 HA HIS A 50 9.425 -3.511 -8.930 1.00 0.00 H new ATOM 0 HB2 HIS A 50 8.370 -5.186 -10.130 1.00 0.00 H new ATOM 0 HB3 HIS A 50 7.321 -5.638 -8.800 1.00 0.00 H new ATOM 0 HD2 HIS A 50 4.819 -4.455 -8.829 1.00 0.00 H new ATOM 0 HE1 HIS A 50 5.497 -1.865 -12.119 1.00 0.00 H new ATOM 0 HE2 HIS A 50 3.749 -2.771 -10.504 1.00 0.00 H new ATOM 727 N SER A 51 7.961 -1.655 -8.171 1.00 0.00 N ATOM 728 CA SER A 51 7.232 -0.520 -7.618 1.00 0.00 C ATOM 729 C SER A 51 5.936 -0.280 -8.387 1.00 0.00 C ATOM 730 O SER A 51 5.956 0.072 -9.565 1.00 0.00 O ATOM 731 CB SER A 51 8.101 0.739 -7.656 1.00 0.00 C ATOM 732 OG SER A 51 7.678 1.680 -6.685 1.00 0.00 O ATOM 0 H SER A 51 8.599 -1.417 -8.931 1.00 0.00 H new ATOM 0 HA SER A 51 6.983 -0.750 -6.582 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.143 0.471 -7.478 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.052 1.188 -8.648 1.00 0.00 H new ATOM 0 HG SER A 51 7.209 1.215 -5.961 1.00 0.00 H new ATOM 738 N GLY A 52 4.808 -0.473 -7.709 1.00 0.00 N ATOM 739 CA GLY A 52 3.518 -0.274 -8.342 1.00 0.00 C ATOM 740 C GLY A 52 2.499 0.338 -7.402 1.00 0.00 C ATOM 741 O GLY A 52 2.771 0.524 -6.216 1.00 0.00 O ATOM 0 H GLY A 52 4.765 -0.764 -6.732 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.639 0.372 -9.212 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.144 -1.231 -8.705 1.00 0.00 H new ATOM 745 N PHE A 53 1.321 0.652 -7.931 1.00 0.00 N ATOM 746 CA PHE A 53 0.258 1.249 -7.132 1.00 0.00 C ATOM 747 C PHE A 53 -0.697 0.178 -6.610 1.00 0.00 C ATOM 748 O PHE A 53 -1.032 -0.769 -7.321 1.00 0.00 O ATOM 749 CB PHE A 53 -0.515 2.278 -7.959 1.00 0.00 C ATOM 750 CG PHE A 53 0.328 2.977 -8.986 1.00 0.00 C ATOM 751 CD1 PHE A 53 1.461 3.681 -8.609 1.00 0.00 C ATOM 752 CD2 PHE A 53 -0.011 2.931 -10.328 1.00 0.00 C ATOM 753 CE1 PHE A 53 2.239 4.326 -9.552 1.00 0.00 C ATOM 754 CE2 PHE A 53 0.763 3.574 -11.276 1.00 0.00 C ATOM 755 CZ PHE A 53 1.890 4.271 -10.887 1.00 0.00 C ATOM 0 H PHE A 53 1.079 0.503 -8.910 1.00 0.00 H new ATOM 0 HA PHE A 53 0.716 1.750 -6.279 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.345 1.780 -8.460 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.947 3.021 -7.288 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.739 3.726 -7.566 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.891 2.386 -10.638 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.119 4.872 -9.245 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.487 3.531 -12.319 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.498 4.772 -11.626 1.00 0.00 H new ATOM 765 N PHE A 54 -1.130 0.337 -5.364 1.00 0.00 N ATOM 766 CA PHE A 54 -2.044 -0.616 -4.745 1.00 0.00 C ATOM 767 C PHE A 54 -3.216 0.105 -4.086 1.00 0.00 C ATOM 768 O PHE A 54 -3.114 1.259 -3.670 1.00 0.00 O ATOM 769 CB PHE A 54 -1.305 -1.466 -3.710 1.00 0.00 C ATOM 770 CG PHE A 54 -0.730 -0.665 -2.577 1.00 0.00 C ATOM 771 CD1 PHE A 54 0.339 0.191 -2.789 1.00 0.00 C ATOM 772 CD2 PHE A 54 -1.257 -0.768 -1.300 1.00 0.00 C ATOM 773 CE1 PHE A 54 0.870 0.931 -1.749 1.00 0.00 C ATOM 774 CE2 PHE A 54 -0.730 -0.031 -0.256 1.00 0.00 C ATOM 775 CZ PHE A 54 0.336 0.818 -0.481 1.00 0.00 C ATOM 0 H PHE A 54 -0.863 1.117 -4.763 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.434 -1.268 -5.527 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.991 -2.211 -3.306 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.500 -2.009 -4.205 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.762 0.281 -3.778 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.089 -1.432 -1.118 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.701 1.597 -1.928 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.151 -0.119 0.735 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.751 1.393 0.334 1.00 0.00 H new ATOM 785 N PRO A 55 -4.358 -0.592 -3.987 1.00 0.00 N ATOM 786 CA PRO A 55 -5.573 -0.039 -3.379 1.00 0.00 C ATOM 787 C PRO A 55 -5.436 0.139 -1.871 1.00 0.00 C ATOM 788 O PRO A 55 -4.820 -0.684 -1.193 1.00 0.00 O ATOM 789 CB PRO A 55 -6.639 -1.089 -3.700 1.00 0.00 C ATOM 790 CG PRO A 55 -5.880 -2.360 -3.872 1.00 0.00 C ATOM 791 CD PRO A 55 -4.552 -1.972 -4.461 1.00 0.00 C ATOM 0 HA PRO A 55 -5.806 0.955 -3.762 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.370 -1.170 -2.895 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.189 -0.831 -4.605 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.750 -2.869 -2.917 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.413 -3.047 -4.529 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.753 -2.630 -4.119 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.565 -2.025 -5.550 1.00 0.00 H new ATOM 799 N ILE A 56 -6.015 1.216 -1.353 1.00 0.00 N ATOM 800 CA ILE A 56 -5.959 1.500 0.076 1.00 0.00 C ATOM 801 C ILE A 56 -7.188 0.952 0.794 1.00 0.00 C ATOM 802 O ILE A 56 -7.209 0.850 2.020 1.00 0.00 O ATOM 803 CB ILE A 56 -5.853 3.013 0.346 1.00 0.00 C ATOM 804 CG1 ILE A 56 -4.856 3.657 -0.620 1.00 0.00 C ATOM 805 CG2 ILE A 56 -5.442 3.266 1.788 1.00 0.00 C ATOM 806 CD1 ILE A 56 -4.794 5.164 -0.509 1.00 0.00 C ATOM 0 H ILE A 56 -6.528 1.907 -1.901 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.066 1.007 0.461 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.831 3.466 0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.864 3.246 -0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -5.126 3.387 -1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.371 4.340 1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.186 2.837 2.459 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.473 2.803 1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.067 5.552 -1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.776 5.585 -0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.494 5.442 0.501 1.00 0.00 H new ATOM 818 N ASN A 57 -8.210 0.599 0.021 1.00 0.00 N ATOM 819 CA ASN A 57 -9.443 0.060 0.583 1.00 0.00 C ATOM 820 C ASN A 57 -9.310 -1.436 0.851 1.00 0.00 C ATOM 821 O ASN A 57 -10.283 -2.105 1.198 1.00 0.00 O ATOM 822 CB ASN A 57 -10.616 0.317 -0.365 1.00 0.00 C ATOM 823 CG ASN A 57 -10.244 0.093 -1.818 1.00 0.00 C ATOM 824 OD1 ASN A 57 -9.410 -0.756 -2.133 1.00 0.00 O ATOM 825 ND2 ASN A 57 -10.864 0.855 -2.711 1.00 0.00 N ATOM 0 H ASN A 57 -8.209 0.677 -0.996 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.632 0.566 1.530 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.445 -0.339 -0.100 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.966 1.341 -0.236 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.656 0.749 -3.704 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.548 1.546 -2.404 1.00 0.00 H new ATOM 832 N TYR A 58 -8.098 -1.955 0.687 1.00 0.00 N ATOM 833 CA TYR A 58 -7.837 -3.373 0.909 1.00 0.00 C ATOM 834 C TYR A 58 -6.610 -3.568 1.794 1.00 0.00 C ATOM 835 O TYR A 58 -6.003 -4.639 1.806 1.00 0.00 O ATOM 836 CB TYR A 58 -7.635 -4.091 -0.427 1.00 0.00 C ATOM 837 CG TYR A 58 -8.887 -4.159 -1.272 1.00 0.00 C ATOM 838 CD1 TYR A 58 -10.082 -4.632 -0.744 1.00 0.00 C ATOM 839 CD2 TYR A 58 -8.875 -3.750 -2.600 1.00 0.00 C ATOM 840 CE1 TYR A 58 -11.227 -4.697 -1.513 1.00 0.00 C ATOM 841 CE2 TYR A 58 -10.016 -3.810 -3.377 1.00 0.00 C ATOM 842 CZ TYR A 58 -11.189 -4.285 -2.829 1.00 0.00 C ATOM 843 OH TYR A 58 -12.329 -4.347 -3.598 1.00 0.00 O ATOM 0 H TYR A 58 -7.281 -1.415 0.401 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.701 -3.801 1.417 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.854 -3.580 -0.990 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.280 -5.104 -0.236 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.116 -4.955 0.286 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.958 -3.379 -3.032 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -12.147 -5.068 -1.087 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.989 -3.487 -4.407 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.133 -4.019 -4.500 1.00 0.00 H new ATOM 853 N VAL A 59 -6.252 -2.526 2.537 1.00 0.00 N ATOM 854 CA VAL A 59 -5.099 -2.582 3.428 1.00 0.00 C ATOM 855 C VAL A 59 -5.284 -1.655 4.624 1.00 0.00 C ATOM 856 O VAL A 59 -5.816 -0.554 4.492 1.00 0.00 O ATOM 857 CB VAL A 59 -3.802 -2.199 2.692 1.00 0.00 C ATOM 858 CG1 VAL A 59 -3.552 -3.141 1.524 1.00 0.00 C ATOM 859 CG2 VAL A 59 -3.864 -0.755 2.218 1.00 0.00 C ATOM 0 H VAL A 59 -6.744 -1.632 2.540 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.019 -3.611 3.778 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.969 -2.293 3.389 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.631 -2.854 1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.460 -4.162 1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.386 -3.082 0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.939 -0.502 1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.706 -0.631 1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.991 -0.095 3.076 1.00 0.00 H new ATOM 869 N GLU A 60 -4.840 -2.110 5.792 1.00 0.00 N ATOM 870 CA GLU A 60 -4.958 -1.321 7.013 1.00 0.00 C ATOM 871 C GLU A 60 -3.851 -0.273 7.092 1.00 0.00 C ATOM 872 O GLU A 60 -2.731 -0.503 6.635 1.00 0.00 O ATOM 873 CB GLU A 60 -4.903 -2.231 8.242 1.00 0.00 C ATOM 874 CG GLU A 60 -6.265 -2.734 8.688 1.00 0.00 C ATOM 875 CD GLU A 60 -7.316 -1.641 8.699 1.00 0.00 C ATOM 876 OE1 GLU A 60 -7.306 -0.817 9.637 1.00 0.00 O ATOM 877 OE2 GLU A 60 -8.149 -1.610 7.769 1.00 0.00 O ATOM 0 H GLU A 60 -4.396 -3.020 5.918 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.920 -0.808 6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.263 -3.086 8.022 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.438 -1.688 9.065 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.587 -3.536 8.024 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.181 -3.162 9.687 1.00 0.00 H new ATOM 884 N ILE A 61 -4.174 0.877 7.674 1.00 0.00 N ATOM 885 CA ILE A 61 -3.207 1.959 7.814 1.00 0.00 C ATOM 886 C ILE A 61 -2.756 2.109 9.262 1.00 0.00 C ATOM 887 O ILE A 61 -3.407 2.784 10.061 1.00 0.00 O ATOM 888 CB ILE A 61 -3.790 3.299 7.328 1.00 0.00 C ATOM 889 CG1 ILE A 61 -4.293 3.170 5.889 1.00 0.00 C ATOM 890 CG2 ILE A 61 -2.745 4.400 7.432 1.00 0.00 C ATOM 891 CD1 ILE A 61 -3.222 2.744 4.910 1.00 0.00 C ATOM 0 H ILE A 61 -5.097 1.083 8.056 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.349 1.699 7.194 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.634 3.563 7.966 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.108 2.446 5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.706 4.127 5.570 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.172 5.341 7.085 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.430 4.506 8.470 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.883 4.143 6.816 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.650 2.673 3.910 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.417 3.479 4.909 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.826 1.772 5.204 1.00 0.00 H new ATOM 903 N LEU A 62 -1.635 1.478 9.595 1.00 0.00 N ATOM 904 CA LEU A 62 -1.093 1.543 10.948 1.00 0.00 C ATOM 905 C LEU A 62 -0.280 2.817 11.149 1.00 0.00 C ATOM 906 O LEU A 62 -0.356 3.456 12.198 1.00 0.00 O ATOM 907 CB LEU A 62 -0.221 0.318 11.228 1.00 0.00 C ATOM 908 CG LEU A 62 -0.771 -1.023 10.741 1.00 0.00 C ATOM 909 CD1 LEU A 62 0.301 -2.099 10.817 1.00 0.00 C ATOM 910 CD2 LEU A 62 -1.992 -1.427 11.554 1.00 0.00 C ATOM 0 H LEU A 62 -1.084 0.916 8.947 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.929 1.554 11.647 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.753 0.477 10.766 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.057 0.252 12.304 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.073 -0.912 9.700 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.109 -3.046 10.466 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.146 -1.815 10.190 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.635 -2.208 11.849 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.369 -2.384 11.193 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.716 -1.519 12.604 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.767 -0.668 11.448 1.00 0.00 H new ATOM 922 N VAL A 63 0.499 3.182 10.134 1.00 0.00 N ATOM 923 CA VAL A 63 1.324 4.382 10.198 1.00 0.00 C ATOM 924 C VAL A 63 0.902 5.396 9.141 1.00 0.00 C ATOM 925 O VAL A 63 0.888 5.095 7.947 1.00 0.00 O ATOM 926 CB VAL A 63 2.816 4.048 10.006 1.00 0.00 C ATOM 927 CG1 VAL A 63 3.615 5.312 9.732 1.00 0.00 C ATOM 928 CG2 VAL A 63 3.358 3.317 11.225 1.00 0.00 C ATOM 0 H VAL A 63 0.575 2.664 9.259 1.00 0.00 H new ATOM 0 HA VAL A 63 1.180 4.813 11.189 1.00 0.00 H new ATOM 0 HB VAL A 63 2.916 3.391 9.142 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.666 5.056 9.599 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.241 5.790 8.827 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.512 5.997 10.573 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.413 3.089 11.073 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.247 3.948 12.107 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.803 2.390 11.370 1.00 0.00 H new ATOM 938 N ALA A 64 0.558 6.599 9.587 1.00 0.00 N ATOM 939 CA ALA A 64 0.137 7.660 8.680 1.00 0.00 C ATOM 940 C ALA A 64 1.338 8.313 8.005 1.00 0.00 C ATOM 941 O ALA A 64 2.279 8.745 8.672 1.00 0.00 O ATOM 942 CB ALA A 64 -0.682 8.701 9.428 1.00 0.00 C ATOM 0 H ALA A 64 0.562 6.864 10.572 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.485 7.215 7.904 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.989 9.487 8.738 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.566 8.229 9.857 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.079 9.134 10.226 1.00 0.00 H new ATOM 948 N LEU A 65 1.301 8.383 6.679 1.00 0.00 N ATOM 949 CA LEU A 65 2.387 8.984 5.913 1.00 0.00 C ATOM 950 C LEU A 65 2.768 10.346 6.485 1.00 0.00 C ATOM 951 O LEU A 65 1.980 11.003 7.166 1.00 0.00 O ATOM 952 CB LEU A 65 1.983 9.130 4.445 1.00 0.00 C ATOM 953 CG LEU A 65 2.212 7.903 3.561 1.00 0.00 C ATOM 954 CD1 LEU A 65 1.252 7.909 2.381 1.00 0.00 C ATOM 955 CD2 LEU A 65 3.654 7.856 3.077 1.00 0.00 C ATOM 0 H LEU A 65 0.530 8.031 6.112 1.00 0.00 H new ATOM 0 HA LEU A 65 3.253 8.326 5.981 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.925 9.390 4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.534 9.968 4.019 1.00 0.00 H new ATOM 0 HG LEU A 65 2.020 7.010 4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.429 7.029 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.225 7.894 2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.412 8.808 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.799 6.977 2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.873 8.754 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.324 7.804 3.935 1.00 0.00 H new ATOM 967 N PRO A 66 4.004 10.782 6.202 1.00 0.00 N ATOM 968 CA PRO A 66 4.517 12.071 6.676 1.00 0.00 C ATOM 969 C PRO A 66 3.837 13.253 5.992 1.00 0.00 C ATOM 970 O PRO A 66 3.283 13.116 4.901 1.00 0.00 O ATOM 971 CB PRO A 66 6.001 12.021 6.305 1.00 0.00 C ATOM 972 CG PRO A 66 6.073 11.074 5.157 1.00 0.00 C ATOM 973 CD PRO A 66 4.997 10.051 5.396 1.00 0.00 C ATOM 0 HA PRO A 66 4.334 12.215 7.741 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.373 13.007 6.028 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.607 11.675 7.142 1.00 0.00 H new ATOM 0 HG2 PRO A 66 5.915 11.594 4.212 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.054 10.603 5.101 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.569 9.692 4.460 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.382 9.180 5.926 1.00 0.00 H new