USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=10 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 Set 1.1: A 9 CYS SG : rot -5:sc= -0.32 USER MOD Set 1.2: A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -26:sc= 0.0222 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 133:sc= -1.06 (180deg=-3.3!) USER MOD Single : A 35 THR OG1 : rot -66:sc= 0.919 USER MOD Single : A 36 ASN : amide:sc= -0.781 X(o=-0.78,f=-1.2) USER MOD Single : A 37 GLN : amide:sc= -2.84! C(o=-2.8!,f=-3!) USER MOD Single : A 41 ASN : amide:sc= -0.212 K(o=-0.21,f=-1.7!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -162:sc= -0.104 (180deg=-0.563) USER MOD Single : A 48 HIS : no HD1:sc= -0.0036 X(o=-0.0036,f=-0.091) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 42:sc= 0.531 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 9.888 2.834 8.115 1.00 0.00 N ATOM 60 CA GLY A 7 8.999 3.948 7.838 1.00 0.00 C ATOM 61 C GLY A 7 7.542 3.532 7.803 1.00 0.00 C ATOM 62 O GLY A 7 7.152 2.511 8.371 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.136 4.716 8.599 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.269 4.395 6.881 1.00 0.00 H new ATOM 66 N PRO A 8 6.709 4.335 7.124 1.00 0.00 N ATOM 67 CA PRO A 8 5.274 4.065 7.002 1.00 0.00 C ATOM 68 C PRO A 8 4.983 2.856 6.120 1.00 0.00 C ATOM 69 O PRO A 8 5.438 2.785 4.978 1.00 0.00 O ATOM 70 CB PRO A 8 4.727 5.341 6.357 1.00 0.00 C ATOM 71 CG PRO A 8 5.884 5.918 5.618 1.00 0.00 C ATOM 72 CD PRO A 8 7.106 5.567 6.422 1.00 0.00 C ATOM 0 HA PRO A 8 4.821 3.829 7.965 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.898 5.121 5.685 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.352 6.035 7.109 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.948 5.506 4.611 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.782 6.998 5.515 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.974 5.404 5.783 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.369 6.361 7.121 1.00 0.00 H new ATOM 80 N CYS A 9 4.225 1.906 6.657 1.00 0.00 N ATOM 81 CA CYS A 9 3.874 0.699 5.918 1.00 0.00 C ATOM 82 C CYS A 9 2.431 0.291 6.195 1.00 0.00 C ATOM 83 O CYS A 9 1.774 0.854 7.072 1.00 0.00 O ATOM 84 CB CYS A 9 4.820 -0.444 6.290 1.00 0.00 C ATOM 85 SG CYS A 9 6.554 -0.129 5.884 1.00 0.00 S ATOM 0 H CYS A 9 3.842 1.949 7.601 1.00 0.00 H new ATOM 0 HA CYS A 9 3.973 0.913 4.854 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.738 -0.636 7.360 1.00 0.00 H new ATOM 0 HB3 CYS A 9 4.497 -1.350 5.778 1.00 0.00 H new ATOM 0 HG CYS A 9 6.651 0.995 5.238 1.00 0.00 H new ATOM 91 N CYS A 10 1.944 -0.689 5.442 1.00 0.00 N ATOM 92 CA CYS A 10 0.576 -1.170 5.606 1.00 0.00 C ATOM 93 C CYS A 10 0.504 -2.680 5.403 1.00 0.00 C ATOM 94 O CYS A 10 1.444 -3.295 4.899 1.00 0.00 O ATOM 95 CB CYS A 10 -0.356 -0.466 4.619 1.00 0.00 C ATOM 96 SG CYS A 10 0.100 -0.691 2.883 1.00 0.00 S ATOM 0 H CYS A 10 2.475 -1.166 4.713 1.00 0.00 H new ATOM 0 HA CYS A 10 0.256 -0.942 6.623 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.371 -0.835 4.768 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.368 0.600 4.845 1.00 0.00 H new ATOM 0 HG CYS A 10 1.375 -0.928 2.797 1.00 0.00 H new ATOM 102 N ARG A 11 -0.617 -3.272 5.801 1.00 0.00 N ATOM 103 CA ARG A 11 -0.811 -4.711 5.665 1.00 0.00 C ATOM 104 C ARG A 11 -2.040 -5.016 4.814 1.00 0.00 C ATOM 105 O ARG A 11 -2.998 -4.244 4.789 1.00 0.00 O ATOM 106 CB ARG A 11 -0.959 -5.359 7.043 1.00 0.00 C ATOM 107 CG ARG A 11 -1.297 -6.840 6.987 1.00 0.00 C ATOM 108 CD ARG A 11 -1.604 -7.394 8.370 1.00 0.00 C ATOM 109 NE ARG A 11 -0.508 -7.164 9.307 1.00 0.00 N ATOM 110 CZ ARG A 11 -0.476 -7.664 10.537 1.00 0.00 C ATOM 111 NH1 ARG A 11 -1.474 -8.419 10.976 1.00 0.00 N ATOM 112 NH2 ARG A 11 0.556 -7.410 11.332 1.00 0.00 N ATOM 0 H ARG A 11 -1.405 -2.778 6.220 1.00 0.00 H new ATOM 0 HA ARG A 11 0.066 -5.125 5.168 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.030 -5.228 7.598 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.739 -4.838 7.598 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.156 -6.994 6.333 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.462 -7.389 6.551 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.512 -6.929 8.753 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.800 -8.464 8.297 1.00 0.00 H new ATOM 0 HE ARG A 11 0.276 -6.588 9.000 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.269 -8.617 10.368 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.447 -8.802 11.921 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.326 -6.830 10.999 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.579 -7.795 12.276 1.00 0.00 H new ATOM 126 N ALA A 12 -2.004 -6.147 4.117 1.00 0.00 N ATOM 127 CA ALA A 12 -3.115 -6.555 3.265 1.00 0.00 C ATOM 128 C ALA A 12 -4.186 -7.283 4.071 1.00 0.00 C ATOM 129 O ALA A 12 -3.900 -7.871 5.115 1.00 0.00 O ATOM 130 CB ALA A 12 -2.614 -7.438 2.132 1.00 0.00 C ATOM 0 H ALA A 12 -1.218 -6.797 4.125 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.564 -5.657 2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.454 -7.735 1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.890 -6.885 1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.138 -8.327 2.547 1.00 0.00 H new ATOM 136 N LEU A 13 -5.420 -7.238 3.582 1.00 0.00 N ATOM 137 CA LEU A 13 -6.535 -7.893 4.257 1.00 0.00 C ATOM 138 C LEU A 13 -7.136 -8.987 3.380 1.00 0.00 C ATOM 139 O LEU A 13 -7.467 -10.071 3.862 1.00 0.00 O ATOM 140 CB LEU A 13 -7.610 -6.867 4.620 1.00 0.00 C ATOM 141 CG LEU A 13 -7.229 -5.848 5.695 1.00 0.00 C ATOM 142 CD1 LEU A 13 -8.333 -4.817 5.868 1.00 0.00 C ATOM 143 CD2 LEU A 13 -6.939 -6.548 7.015 1.00 0.00 C ATOM 0 H LEU A 13 -5.674 -6.755 2.720 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.156 -8.352 5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.887 -6.325 3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.498 -7.404 4.955 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.324 -5.331 5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.044 -4.100 6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.493 -4.293 4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.255 -5.317 6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.670 -5.807 7.768 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.826 -7.091 7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.113 -7.247 6.882 1.00 0.00 H new ATOM 155 N TYR A 14 -7.272 -8.697 2.091 1.00 0.00 N ATOM 156 CA TYR A 14 -7.833 -9.656 1.147 1.00 0.00 C ATOM 157 C TYR A 14 -6.919 -9.828 -0.062 1.00 0.00 C ATOM 158 O TYR A 14 -5.826 -9.263 -0.114 1.00 0.00 O ATOM 159 CB TYR A 14 -9.221 -9.203 0.691 1.00 0.00 C ATOM 160 CG TYR A 14 -10.257 -9.224 1.793 1.00 0.00 C ATOM 161 CD1 TYR A 14 -10.288 -8.230 2.763 1.00 0.00 C ATOM 162 CD2 TYR A 14 -11.203 -10.238 1.863 1.00 0.00 C ATOM 163 CE1 TYR A 14 -11.232 -8.246 3.772 1.00 0.00 C ATOM 164 CE2 TYR A 14 -12.152 -10.261 2.867 1.00 0.00 C ATOM 165 CZ TYR A 14 -12.162 -9.263 3.819 1.00 0.00 C ATOM 166 OH TYR A 14 -13.104 -9.283 4.822 1.00 0.00 O ATOM 0 H TYR A 14 -7.001 -7.805 1.676 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.921 -10.617 1.653 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.150 -8.192 0.289 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.555 -9.847 -0.123 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.562 -7.431 2.728 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -11.197 -11.022 1.120 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.241 -7.466 4.519 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.882 -11.056 2.906 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.684 -10.065 4.710 1.00 0.00 H new ATOM 176 N ASP A 15 -7.375 -10.611 -1.033 1.00 0.00 N ATOM 177 CA ASP A 15 -6.601 -10.858 -2.245 1.00 0.00 C ATOM 178 C ASP A 15 -7.036 -9.921 -3.367 1.00 0.00 C ATOM 179 O ASP A 15 -8.222 -9.630 -3.523 1.00 0.00 O ATOM 180 CB ASP A 15 -6.758 -12.313 -2.689 1.00 0.00 C ATOM 181 CG ASP A 15 -8.174 -12.824 -2.508 1.00 0.00 C ATOM 182 OD1 ASP A 15 -8.565 -13.091 -1.352 1.00 0.00 O ATOM 183 OD2 ASP A 15 -8.891 -12.955 -3.522 1.00 0.00 O ATOM 0 H ASP A 15 -8.277 -11.086 -1.005 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.551 -10.666 -2.022 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.474 -12.403 -3.737 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.073 -12.940 -2.118 1.00 0.00 H new ATOM 188 N PHE A 16 -6.067 -9.449 -4.146 1.00 0.00 N ATOM 189 CA PHE A 16 -6.349 -8.543 -5.253 1.00 0.00 C ATOM 190 C PHE A 16 -5.932 -9.163 -6.583 1.00 0.00 C ATOM 191 O PHE A 16 -4.874 -9.784 -6.685 1.00 0.00 O ATOM 192 CB PHE A 16 -5.623 -7.212 -5.047 1.00 0.00 C ATOM 193 CG PHE A 16 -5.693 -6.301 -6.240 1.00 0.00 C ATOM 194 CD1 PHE A 16 -6.883 -6.130 -6.929 1.00 0.00 C ATOM 195 CD2 PHE A 16 -4.569 -5.616 -6.671 1.00 0.00 C ATOM 196 CE1 PHE A 16 -6.949 -5.293 -8.027 1.00 0.00 C ATOM 197 CE2 PHE A 16 -4.629 -4.777 -7.768 1.00 0.00 C ATOM 198 CZ PHE A 16 -5.821 -4.615 -8.446 1.00 0.00 C ATOM 0 H PHE A 16 -5.080 -9.679 -4.031 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.424 -8.363 -5.278 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.053 -6.702 -4.185 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.577 -7.410 -4.812 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.768 -6.656 -6.605 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.635 -5.739 -6.144 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -7.882 -5.169 -8.557 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.745 -4.249 -8.094 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.871 -3.959 -9.303 1.00 0.00 H new ATOM 208 N GLU A 17 -6.771 -8.990 -7.599 1.00 0.00 N ATOM 209 CA GLU A 17 -6.490 -9.534 -8.923 1.00 0.00 C ATOM 210 C GLU A 17 -6.103 -8.424 -9.896 1.00 0.00 C ATOM 211 O GLU A 17 -6.952 -7.777 -10.509 1.00 0.00 O ATOM 212 CB GLU A 17 -7.707 -10.292 -9.456 1.00 0.00 C ATOM 213 CG GLU A 17 -7.441 -11.034 -10.755 1.00 0.00 C ATOM 214 CD GLU A 17 -6.490 -12.201 -10.576 1.00 0.00 C ATOM 215 OE1 GLU A 17 -6.777 -13.075 -9.731 1.00 0.00 O ATOM 216 OE2 GLU A 17 -5.460 -12.242 -11.281 1.00 0.00 O ATOM 0 H GLU A 17 -7.650 -8.478 -7.531 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.651 -10.224 -8.833 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.039 -11.005 -8.702 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.524 -9.587 -9.611 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.385 -11.398 -11.161 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.026 -10.341 -11.487 1.00 0.00 H new ATOM 223 N PRO A 18 -4.789 -8.197 -10.040 1.00 0.00 N ATOM 224 CA PRO A 18 -4.258 -7.165 -10.937 1.00 0.00 C ATOM 225 C PRO A 18 -4.458 -7.516 -12.407 1.00 0.00 C ATOM 226 O PRO A 18 -4.237 -8.654 -12.818 1.00 0.00 O ATOM 227 CB PRO A 18 -2.766 -7.131 -10.594 1.00 0.00 C ATOM 228 CG PRO A 18 -2.471 -8.487 -10.051 1.00 0.00 C ATOM 229 CD PRO A 18 -3.720 -8.929 -9.340 1.00 0.00 C ATOM 0 HA PRO A 18 -4.763 -6.208 -10.802 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.162 -6.918 -11.476 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.546 -6.355 -9.861 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -2.212 -9.180 -10.851 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.622 -8.458 -9.367 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.861 -10.008 -9.408 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.689 -8.678 -8.280 1.00 0.00 H new ATOM 288 N GLU A 23 0.211 -2.247 -11.965 1.00 0.00 N ATOM 289 CA GLU A 23 -0.547 -2.647 -10.785 1.00 0.00 C ATOM 290 C GLU A 23 0.349 -3.368 -9.782 1.00 0.00 C ATOM 291 O GLU A 23 1.419 -3.867 -10.134 1.00 0.00 O ATOM 292 CB GLU A 23 -1.715 -3.550 -11.185 1.00 0.00 C ATOM 293 CG GLU A 23 -1.343 -4.610 -12.208 1.00 0.00 C ATOM 294 CD GLU A 23 -0.284 -5.568 -11.698 1.00 0.00 C ATOM 295 OE1 GLU A 23 -0.236 -5.799 -10.471 1.00 0.00 O ATOM 296 OE2 GLU A 23 0.497 -6.085 -12.524 1.00 0.00 O ATOM 0 HA GLU A 23 -0.939 -1.746 -10.313 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.107 -4.039 -10.293 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.518 -2.933 -11.589 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.235 -5.173 -12.483 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.982 -4.124 -13.114 1.00 0.00 H new ATOM 303 N LEU A 24 -0.096 -3.419 -8.531 1.00 0.00 N ATOM 304 CA LEU A 24 0.665 -4.078 -7.476 1.00 0.00 C ATOM 305 C LEU A 24 -0.206 -5.078 -6.720 1.00 0.00 C ATOM 306 O LEU A 24 -0.807 -4.745 -5.700 1.00 0.00 O ATOM 307 CB LEU A 24 1.231 -3.041 -6.504 1.00 0.00 C ATOM 308 CG LEU A 24 2.219 -3.567 -5.462 1.00 0.00 C ATOM 309 CD1 LEU A 24 3.543 -3.930 -6.116 1.00 0.00 C ATOM 310 CD2 LEU A 24 2.430 -2.539 -4.361 1.00 0.00 C ATOM 0 H LEU A 24 -0.979 -3.012 -8.223 1.00 0.00 H new ATOM 0 HA LEU A 24 1.489 -4.619 -7.940 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.726 -2.261 -7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.399 -2.570 -5.981 1.00 0.00 H new ATOM 0 HG LEU A 24 1.800 -4.468 -5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.233 -4.302 -5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.378 -4.702 -6.867 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.968 -3.046 -6.591 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.136 -2.930 -3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.827 -1.620 -4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.479 -2.329 -3.872 1.00 0.00 H new ATOM 322 N GLY A 25 -0.266 -6.305 -7.229 1.00 0.00 N ATOM 323 CA GLY A 25 -1.064 -7.334 -6.588 1.00 0.00 C ATOM 324 C GLY A 25 -0.543 -7.700 -5.213 1.00 0.00 C ATOM 325 O GLY A 25 0.621 -8.073 -5.061 1.00 0.00 O ATOM 0 H GLY A 25 0.223 -6.604 -8.073 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.095 -6.989 -6.503 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.077 -8.224 -7.217 1.00 0.00 H new ATOM 329 N PHE A 26 -1.404 -7.591 -4.207 1.00 0.00 N ATOM 330 CA PHE A 26 -1.023 -7.911 -2.836 1.00 0.00 C ATOM 331 C PHE A 26 -1.705 -9.193 -2.367 1.00 0.00 C ATOM 332 O PHE A 26 -2.491 -9.796 -3.099 1.00 0.00 O ATOM 333 CB PHE A 26 -1.387 -6.756 -1.901 1.00 0.00 C ATOM 334 CG PHE A 26 -2.819 -6.319 -2.016 1.00 0.00 C ATOM 335 CD1 PHE A 26 -3.850 -7.189 -1.697 1.00 0.00 C ATOM 336 CD2 PHE A 26 -3.135 -5.039 -2.443 1.00 0.00 C ATOM 337 CE1 PHE A 26 -5.169 -6.790 -1.802 1.00 0.00 C ATOM 338 CE2 PHE A 26 -4.453 -4.635 -2.549 1.00 0.00 C ATOM 339 CZ PHE A 26 -5.471 -5.512 -2.229 1.00 0.00 C ATOM 0 H PHE A 26 -2.371 -7.283 -4.315 1.00 0.00 H new ATOM 0 HA PHE A 26 0.056 -8.064 -2.811 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.189 -7.056 -0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.738 -5.907 -2.116 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.620 -8.190 -1.363 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.343 -4.350 -2.696 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.963 -7.477 -1.550 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.686 -3.634 -2.882 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.501 -5.199 -2.313 1.00 0.00 H new ATOM 349 N LYS A 27 -1.397 -9.606 -1.142 1.00 0.00 N ATOM 350 CA LYS A 27 -1.978 -10.816 -0.573 1.00 0.00 C ATOM 351 C LYS A 27 -2.190 -10.662 0.929 1.00 0.00 C ATOM 352 O LYS A 27 -1.282 -10.260 1.655 1.00 0.00 O ATOM 353 CB LYS A 27 -1.075 -12.019 -0.851 1.00 0.00 C ATOM 354 CG LYS A 27 -1.343 -12.684 -2.191 1.00 0.00 C ATOM 355 CD LYS A 27 -2.635 -13.483 -2.168 1.00 0.00 C ATOM 356 CE LYS A 27 -2.454 -14.815 -1.456 1.00 0.00 C ATOM 357 NZ LYS A 27 -2.596 -14.677 0.020 1.00 0.00 N ATOM 0 H LYS A 27 -0.748 -9.120 -0.524 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.947 -10.981 -1.044 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.034 -11.697 -0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.208 -12.754 -0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.398 -11.924 -2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.512 -13.342 -2.445 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.413 -12.905 -1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.974 -13.658 -3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.190 -15.528 -1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.470 -15.222 -1.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.222 -15.426 0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.661 -14.762 0.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.004 -13.747 0.244 1.00 0.00 H new ATOM 371 N GLU A 28 -3.395 -10.987 1.389 1.00 0.00 N ATOM 372 CA GLU A 28 -3.724 -10.886 2.806 1.00 0.00 C ATOM 373 C GLU A 28 -2.514 -11.223 3.671 1.00 0.00 C ATOM 374 O GLU A 28 -1.881 -12.263 3.494 1.00 0.00 O ATOM 375 CB GLU A 28 -4.887 -11.819 3.150 1.00 0.00 C ATOM 376 CG GLU A 28 -5.346 -11.712 4.594 1.00 0.00 C ATOM 377 CD GLU A 28 -4.538 -12.590 5.530 1.00 0.00 C ATOM 378 OE1 GLU A 28 -3.516 -13.151 5.081 1.00 0.00 O ATOM 379 OE2 GLU A 28 -4.927 -12.717 6.709 1.00 0.00 O ATOM 0 H GLU A 28 -4.158 -11.322 0.801 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.020 -9.857 3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.728 -11.596 2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.589 -12.848 2.948 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.270 -10.674 4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.398 -11.990 4.658 1.00 0.00 H new ATOM 386 N GLY A 29 -2.198 -10.335 4.609 1.00 0.00 N ATOM 387 CA GLY A 29 -1.064 -10.555 5.488 1.00 0.00 C ATOM 388 C GLY A 29 0.194 -9.869 4.994 1.00 0.00 C ATOM 389 O GLY A 29 0.896 -9.216 5.766 1.00 0.00 O ATOM 0 H GLY A 29 -2.707 -9.467 4.776 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.306 -10.189 6.486 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.879 -11.626 5.577 1.00 0.00 H new ATOM 393 N ASP A 30 0.481 -10.018 3.706 1.00 0.00 N ATOM 394 CA ASP A 30 1.664 -9.408 3.110 1.00 0.00 C ATOM 395 C ASP A 30 1.723 -7.917 3.425 1.00 0.00 C ATOM 396 O ASP A 30 0.737 -7.198 3.259 1.00 0.00 O ATOM 397 CB ASP A 30 1.667 -9.623 1.596 1.00 0.00 C ATOM 398 CG ASP A 30 2.009 -11.050 1.215 1.00 0.00 C ATOM 399 OD1 ASP A 30 1.091 -11.897 1.201 1.00 0.00 O ATOM 400 OD2 ASP A 30 3.194 -11.319 0.929 1.00 0.00 O ATOM 0 H ASP A 30 -0.090 -10.556 3.054 1.00 0.00 H new ATOM 0 HA ASP A 30 2.545 -9.887 3.538 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.687 -9.368 1.194 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.387 -8.945 1.137 1.00 0.00 H new ATOM 405 N ILE A 31 2.884 -7.459 3.880 1.00 0.00 N ATOM 406 CA ILE A 31 3.071 -6.053 4.218 1.00 0.00 C ATOM 407 C ILE A 31 3.609 -5.268 3.026 1.00 0.00 C ATOM 408 O ILE A 31 4.506 -5.730 2.320 1.00 0.00 O ATOM 409 CB ILE A 31 4.035 -5.883 5.407 1.00 0.00 C ATOM 410 CG1 ILE A 31 3.523 -6.662 6.621 1.00 0.00 C ATOM 411 CG2 ILE A 31 4.201 -4.410 5.748 1.00 0.00 C ATOM 412 CD1 ILE A 31 2.254 -6.090 7.215 1.00 0.00 C ATOM 0 H ILE A 31 3.710 -8.041 4.023 1.00 0.00 H new ATOM 0 HA ILE A 31 2.092 -5.662 4.496 1.00 0.00 H new ATOM 0 HB ILE A 31 5.009 -6.283 5.126 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.344 -7.697 6.329 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.299 -6.677 7.387 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.885 -4.306 6.590 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.605 -3.880 4.885 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.232 -3.987 6.013 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.949 -6.692 8.071 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.434 -5.065 7.538 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.464 -6.101 6.464 1.00 0.00 H new ATOM 424 N ILE A 32 3.057 -4.079 2.810 1.00 0.00 N ATOM 425 CA ILE A 32 3.484 -3.229 1.706 1.00 0.00 C ATOM 426 C ILE A 32 4.018 -1.894 2.215 1.00 0.00 C ATOM 427 O ILE A 32 3.371 -1.217 3.014 1.00 0.00 O ATOM 428 CB ILE A 32 2.330 -2.965 0.721 1.00 0.00 C ATOM 429 CG1 ILE A 32 1.804 -4.285 0.153 1.00 0.00 C ATOM 430 CG2 ILE A 32 2.791 -2.046 -0.401 1.00 0.00 C ATOM 431 CD1 ILE A 32 0.345 -4.233 -0.245 1.00 0.00 C ATOM 0 H ILE A 32 2.313 -3.683 3.385 1.00 0.00 H new ATOM 0 HA ILE A 32 4.280 -3.762 1.186 1.00 0.00 H new ATOM 0 HB ILE A 32 1.519 -2.473 1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.400 -4.560 -0.717 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.942 -5.071 0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.964 -1.869 -1.089 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.123 -1.097 0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.616 -2.513 -0.938 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.041 -5.203 -0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.262 -3.989 0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.204 -3.470 -1.010 1.00 0.00 H new ATOM 443 N THR A 33 5.204 -1.520 1.744 1.00 0.00 N ATOM 444 CA THR A 33 5.826 -0.266 2.150 1.00 0.00 C ATOM 445 C THR A 33 5.135 0.927 1.499 1.00 0.00 C ATOM 446 O THR A 33 4.400 0.774 0.522 1.00 0.00 O ATOM 447 CB THR A 33 7.323 -0.238 1.789 1.00 0.00 C ATOM 448 OG1 THR A 33 7.981 -1.384 2.340 1.00 0.00 O ATOM 449 CG2 THR A 33 7.982 1.031 2.309 1.00 0.00 C ATOM 0 H THR A 33 5.753 -2.068 1.081 1.00 0.00 H new ATOM 0 HA THR A 33 5.720 -0.197 3.233 1.00 0.00 H new ATOM 0 HB THR A 33 7.413 -0.255 0.703 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.932 -1.360 2.105 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.039 1.028 2.042 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.498 1.901 1.865 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.882 1.075 3.394 1.00 0.00 H new ATOM 457 N LEU A 34 5.376 2.114 2.043 1.00 0.00 N ATOM 458 CA LEU A 34 4.777 3.335 1.514 1.00 0.00 C ATOM 459 C LEU A 34 5.852 4.352 1.144 1.00 0.00 C ATOM 460 O LEU A 34 6.803 4.569 1.897 1.00 0.00 O ATOM 461 CB LEU A 34 3.815 3.940 2.537 1.00 0.00 C ATOM 462 CG LEU A 34 2.595 3.091 2.896 1.00 0.00 C ATOM 463 CD1 LEU A 34 2.038 3.503 4.250 1.00 0.00 C ATOM 464 CD2 LEU A 34 1.528 3.209 1.819 1.00 0.00 C ATOM 0 H LEU A 34 5.982 2.258 2.851 1.00 0.00 H new ATOM 0 HA LEU A 34 4.222 3.077 0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.371 4.146 3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.465 4.899 2.154 1.00 0.00 H new ATOM 0 HG LEU A 34 2.907 2.048 2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.170 2.888 4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.802 3.365 5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.742 4.552 4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.667 2.598 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.219 4.250 1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.932 2.863 0.867 1.00 0.00 H new ATOM 476 N THR A 35 5.694 4.977 -0.018 1.00 0.00 N ATOM 477 CA THR A 35 6.649 5.973 -0.487 1.00 0.00 C ATOM 478 C THR A 35 5.947 7.270 -0.871 1.00 0.00 C ATOM 479 O THR A 35 6.344 8.352 -0.442 1.00 0.00 O ATOM 480 CB THR A 35 7.449 5.457 -1.699 1.00 0.00 C ATOM 481 OG1 THR A 35 6.569 5.228 -2.805 1.00 0.00 O ATOM 482 CG2 THR A 35 8.184 4.171 -1.354 1.00 0.00 C ATOM 0 H THR A 35 4.913 4.811 -0.652 1.00 0.00 H new ATOM 0 HA THR A 35 7.336 6.165 0.337 1.00 0.00 H new ATOM 0 HB THR A 35 8.184 6.215 -1.971 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.959 4.491 -2.591 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.742 3.826 -2.225 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.874 4.356 -0.531 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.464 3.408 -1.059 1.00 0.00 H new ATOM 490 N ASN A 36 4.900 7.153 -1.682 1.00 0.00 N ATOM 491 CA ASN A 36 4.142 8.318 -2.124 1.00 0.00 C ATOM 492 C ASN A 36 2.742 7.916 -2.580 1.00 0.00 C ATOM 493 O ASN A 36 2.420 6.730 -2.652 1.00 0.00 O ATOM 494 CB ASN A 36 4.876 9.029 -3.263 1.00 0.00 C ATOM 495 CG ASN A 36 5.957 9.966 -2.758 1.00 0.00 C ATOM 496 OD1 ASN A 36 5.726 10.768 -1.854 1.00 0.00 O ATOM 497 ND2 ASN A 36 7.145 9.867 -3.343 1.00 0.00 N ATOM 0 H ASN A 36 4.558 6.264 -2.046 1.00 0.00 H new ATOM 0 HA ASN A 36 4.048 9.000 -1.279 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.323 8.286 -3.924 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.158 9.594 -3.858 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.912 10.471 -3.046 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.291 9.187 -4.089 1.00 0.00 H new ATOM 504 N GLN A 37 1.917 8.911 -2.886 1.00 0.00 N ATOM 505 CA GLN A 37 0.552 8.661 -3.334 1.00 0.00 C ATOM 506 C GLN A 37 0.268 9.386 -4.646 1.00 0.00 C ATOM 507 O GLN A 37 0.463 10.597 -4.751 1.00 0.00 O ATOM 508 CB GLN A 37 -0.448 9.104 -2.265 1.00 0.00 C ATOM 509 CG GLN A 37 -1.894 9.069 -2.733 1.00 0.00 C ATOM 510 CD GLN A 37 -2.754 10.113 -2.049 1.00 0.00 C ATOM 511 OE1 GLN A 37 -2.279 11.195 -1.701 1.00 0.00 O ATOM 512 NE2 GLN A 37 -4.028 9.794 -1.852 1.00 0.00 N ATOM 0 H GLN A 37 2.169 9.898 -2.832 1.00 0.00 H new ATOM 0 HA GLN A 37 0.442 7.590 -3.501 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.342 8.461 -1.391 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.202 10.117 -1.947 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.927 9.226 -3.811 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.310 8.080 -2.542 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.379 8.886 -2.156 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.655 10.457 -1.396 1.00 0.00 H new ATOM 521 N ILE A 38 -0.192 8.637 -5.642 1.00 0.00 N ATOM 522 CA ILE A 38 -0.503 9.210 -6.946 1.00 0.00 C ATOM 523 C ILE A 38 -1.980 9.575 -7.048 1.00 0.00 C ATOM 524 O ILE A 38 -2.332 10.656 -7.521 1.00 0.00 O ATOM 525 CB ILE A 38 -0.146 8.239 -8.087 1.00 0.00 C ATOM 526 CG1 ILE A 38 1.368 8.029 -8.153 1.00 0.00 C ATOM 527 CG2 ILE A 38 -0.672 8.765 -9.414 1.00 0.00 C ATOM 528 CD1 ILE A 38 1.856 6.876 -7.303 1.00 0.00 C ATOM 0 H ILE A 38 -0.358 7.633 -5.571 1.00 0.00 H new ATOM 0 HA ILE A 38 0.100 10.113 -7.046 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.618 7.277 -7.887 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.658 7.854 -9.189 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.868 8.943 -7.832 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.412 8.068 -10.211 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.756 8.867 -9.361 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.226 9.737 -9.623 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.938 6.786 -7.398 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.598 7.058 -6.260 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.384 5.952 -7.638 1.00 0.00 H new ATOM 540 N ASP A 39 -2.840 8.667 -6.600 1.00 0.00 N ATOM 541 CA ASP A 39 -4.280 8.894 -6.637 1.00 0.00 C ATOM 542 C ASP A 39 -4.817 9.211 -5.245 1.00 0.00 C ATOM 543 O ASP A 39 -4.072 9.199 -4.265 1.00 0.00 O ATOM 544 CB ASP A 39 -4.997 7.669 -7.208 1.00 0.00 C ATOM 545 CG ASP A 39 -6.283 8.032 -7.924 1.00 0.00 C ATOM 546 OD1 ASP A 39 -6.214 8.403 -9.114 1.00 0.00 O ATOM 547 OD2 ASP A 39 -7.358 7.945 -7.295 1.00 0.00 O ATOM 0 H ASP A 39 -2.565 7.767 -6.207 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.471 9.751 -7.283 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.332 7.153 -7.901 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.219 6.972 -6.400 1.00 0.00 H new ATOM 552 N GLU A 40 -6.114 9.493 -5.166 1.00 0.00 N ATOM 553 CA GLU A 40 -6.749 9.814 -3.893 1.00 0.00 C ATOM 554 C GLU A 40 -7.143 8.544 -3.146 1.00 0.00 C ATOM 555 O GLU A 40 -7.419 8.576 -1.948 1.00 0.00 O ATOM 556 CB GLU A 40 -7.984 10.689 -4.120 1.00 0.00 C ATOM 557 CG GLU A 40 -7.653 12.133 -4.458 1.00 0.00 C ATOM 558 CD GLU A 40 -8.856 12.905 -4.963 1.00 0.00 C ATOM 559 OE1 GLU A 40 -9.290 12.648 -6.105 1.00 0.00 O ATOM 560 OE2 GLU A 40 -9.365 13.766 -4.214 1.00 0.00 O ATOM 0 H GLU A 40 -6.745 9.506 -5.968 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.030 10.364 -3.286 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.578 10.262 -4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.604 10.667 -3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.255 12.627 -3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.869 12.154 -5.215 1.00 0.00 H new ATOM 567 N ASN A 41 -7.167 7.425 -3.864 1.00 0.00 N ATOM 568 CA ASN A 41 -7.528 6.143 -3.269 1.00 0.00 C ATOM 569 C ASN A 41 -6.482 5.081 -3.591 1.00 0.00 C ATOM 570 O ASN A 41 -6.709 3.889 -3.383 1.00 0.00 O ATOM 571 CB ASN A 41 -8.901 5.693 -3.773 1.00 0.00 C ATOM 572 CG ASN A 41 -10.034 6.224 -2.917 1.00 0.00 C ATOM 573 OD1 ASN A 41 -9.866 6.454 -1.719 1.00 0.00 O ATOM 574 ND2 ASN A 41 -11.195 6.423 -3.529 1.00 0.00 N ATOM 0 H ASN A 41 -6.941 7.380 -4.858 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.569 6.270 -2.187 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.036 6.031 -4.800 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.940 4.604 -3.788 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.993 6.780 -3.004 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.289 6.219 -4.524 1.00 0.00 H new ATOM 581 N TRP A 42 -5.336 5.521 -4.099 1.00 0.00 N ATOM 582 CA TRP A 42 -4.254 4.607 -4.449 1.00 0.00 C ATOM 583 C TRP A 42 -2.940 5.054 -3.819 1.00 0.00 C ATOM 584 O TRP A 42 -2.692 6.249 -3.658 1.00 0.00 O ATOM 585 CB TRP A 42 -4.103 4.522 -5.969 1.00 0.00 C ATOM 586 CG TRP A 42 -5.327 4.000 -6.659 1.00 0.00 C ATOM 587 CD1 TRP A 42 -6.515 4.652 -6.827 1.00 0.00 C ATOM 588 CD2 TRP A 42 -5.482 2.715 -7.272 1.00 0.00 C ATOM 589 NE1 TRP A 42 -7.399 3.850 -7.507 1.00 0.00 N ATOM 590 CE2 TRP A 42 -6.790 2.657 -7.792 1.00 0.00 C ATOM 591 CE3 TRP A 42 -4.644 1.609 -7.434 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -7.276 1.537 -8.461 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -5.128 0.498 -8.097 1.00 0.00 C ATOM 594 CH2 TRP A 42 -6.433 0.468 -8.605 1.00 0.00 C ATOM 0 H TRP A 42 -5.132 6.504 -4.278 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.504 3.620 -4.060 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.869 5.512 -6.360 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.257 3.877 -6.207 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.728 5.651 -6.477 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.355 4.102 -7.759 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.636 1.622 -7.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.282 1.512 -8.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.489 -0.363 -8.226 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.781 -0.415 -9.120 1.00 0.00 H new ATOM 605 N TYR A 43 -2.100 4.087 -3.466 1.00 0.00 N ATOM 606 CA TYR A 43 -0.811 4.382 -2.852 1.00 0.00 C ATOM 607 C TYR A 43 0.337 3.987 -3.776 1.00 0.00 C ATOM 608 O TYR A 43 0.115 3.505 -4.887 1.00 0.00 O ATOM 609 CB TYR A 43 -0.679 3.649 -1.516 1.00 0.00 C ATOM 610 CG TYR A 43 -1.185 4.446 -0.335 1.00 0.00 C ATOM 611 CD1 TYR A 43 -0.854 5.787 -0.184 1.00 0.00 C ATOM 612 CD2 TYR A 43 -1.993 3.859 0.630 1.00 0.00 C ATOM 613 CE1 TYR A 43 -1.313 6.520 0.893 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.458 4.584 1.711 1.00 0.00 C ATOM 615 CZ TYR A 43 -2.115 5.914 1.838 1.00 0.00 C ATOM 616 OH TYR A 43 -2.575 6.640 2.912 1.00 0.00 O ATOM 0 H TYR A 43 -2.289 3.093 -3.595 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.759 5.457 -2.677 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.228 2.709 -1.571 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.369 3.397 -1.351 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.227 6.265 -0.922 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.263 2.818 0.534 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.046 7.561 0.995 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.086 4.112 2.452 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.127 6.066 3.483 1.00 0.00 H new ATOM 626 N GLU A 44 1.564 4.194 -3.309 1.00 0.00 N ATOM 627 CA GLU A 44 2.746 3.860 -4.093 1.00 0.00 C ATOM 628 C GLU A 44 3.875 3.367 -3.193 1.00 0.00 C ATOM 629 O GLU A 44 4.421 4.124 -2.392 1.00 0.00 O ATOM 630 CB GLU A 44 3.214 5.076 -4.896 1.00 0.00 C ATOM 631 CG GLU A 44 4.186 4.732 -6.012 1.00 0.00 C ATOM 632 CD GLU A 44 4.957 5.940 -6.507 1.00 0.00 C ATOM 633 OE1 GLU A 44 5.684 6.552 -5.696 1.00 0.00 O ATOM 634 OE2 GLU A 44 4.833 6.274 -7.704 1.00 0.00 O ATOM 0 H GLU A 44 1.765 4.592 -2.391 1.00 0.00 H new ATOM 0 HA GLU A 44 2.478 3.059 -4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.344 5.575 -5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.688 5.787 -4.219 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.888 3.978 -5.657 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.637 4.290 -6.844 1.00 0.00 H new ATOM 641 N GLY A 45 4.219 2.090 -3.331 1.00 0.00 N ATOM 642 CA GLY A 45 5.280 1.516 -2.524 1.00 0.00 C ATOM 643 C GLY A 45 5.973 0.358 -3.215 1.00 0.00 C ATOM 644 O GLY A 45 5.671 0.043 -4.366 1.00 0.00 O ATOM 0 H GLY A 45 3.782 1.443 -3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.014 2.288 -2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.866 1.174 -1.575 1.00 0.00 H new ATOM 648 N MET A 46 6.906 -0.276 -2.512 1.00 0.00 N ATOM 649 CA MET A 46 7.644 -1.405 -3.066 1.00 0.00 C ATOM 650 C MET A 46 7.224 -2.710 -2.397 1.00 0.00 C ATOM 651 O MET A 46 6.983 -2.751 -1.190 1.00 0.00 O ATOM 652 CB MET A 46 9.149 -1.192 -2.895 1.00 0.00 C ATOM 653 CG MET A 46 9.794 -0.453 -4.056 1.00 0.00 C ATOM 654 SD MET A 46 11.578 -0.279 -3.864 1.00 0.00 S ATOM 655 CE MET A 46 11.662 0.731 -2.387 1.00 0.00 C ATOM 0 H MET A 46 7.169 -0.027 -1.558 1.00 0.00 H new ATOM 0 HA MET A 46 7.413 -1.471 -4.129 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.326 -0.633 -1.976 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.634 -2.161 -2.778 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.583 -0.986 -4.983 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.344 0.536 -4.147 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.649 1.189 -2.315 1.00 0.00 H new ATOM 0 HE2 MET A 46 10.903 1.511 -2.436 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.486 0.108 -1.510 1.00 0.00 H new ATOM 665 N LEU A 47 7.138 -3.774 -3.187 1.00 0.00 N ATOM 666 CA LEU A 47 6.747 -5.081 -2.671 1.00 0.00 C ATOM 667 C LEU A 47 7.373 -6.202 -3.495 1.00 0.00 C ATOM 668 O LEU A 47 7.080 -6.353 -4.681 1.00 0.00 O ATOM 669 CB LEU A 47 5.223 -5.219 -2.676 1.00 0.00 C ATOM 670 CG LEU A 47 4.674 -6.612 -2.369 1.00 0.00 C ATOM 671 CD1 LEU A 47 4.901 -6.965 -0.907 1.00 0.00 C ATOM 672 CD2 LEU A 47 3.194 -6.690 -2.715 1.00 0.00 C ATOM 0 H LEU A 47 7.334 -3.757 -4.188 1.00 0.00 H new ATOM 0 HA LEU A 47 7.110 -5.162 -1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.813 -4.520 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.854 -4.912 -3.655 1.00 0.00 H new ATOM 0 HG LEU A 47 5.209 -7.336 -2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.504 -7.960 -0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.969 -6.951 -0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.393 -6.238 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.820 -7.689 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.644 -5.955 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.057 -6.482 -3.776 1.00 0.00 H new ATOM 684 N HIS A 48 8.235 -6.987 -2.857 1.00 0.00 N ATOM 685 CA HIS A 48 8.901 -8.097 -3.530 1.00 0.00 C ATOM 686 C HIS A 48 9.700 -7.602 -4.732 1.00 0.00 C ATOM 687 O HIS A 48 9.759 -8.265 -5.767 1.00 0.00 O ATOM 688 CB HIS A 48 7.875 -9.138 -3.979 1.00 0.00 C ATOM 689 CG HIS A 48 7.441 -10.062 -2.884 1.00 0.00 C ATOM 690 ND1 HIS A 48 8.319 -10.860 -2.180 1.00 0.00 N ATOM 691 CD2 HIS A 48 6.214 -10.312 -2.371 1.00 0.00 C ATOM 692 CE1 HIS A 48 7.650 -11.562 -1.283 1.00 0.00 C ATOM 693 NE2 HIS A 48 6.370 -11.248 -1.377 1.00 0.00 N ATOM 0 H HIS A 48 8.489 -6.875 -1.875 1.00 0.00 H new ATOM 0 HA HIS A 48 9.590 -8.558 -2.822 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.000 -8.625 -4.378 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.299 -9.726 -4.793 1.00 0.00 H new ATOM 0 HD2 HIS A 48 5.285 -9.860 -2.685 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.077 -12.272 -0.590 1.00 0.00 H new ATOM 0 HE2 HIS A 48 5.620 -11.637 -0.805 1.00 0.00 H new ATOM 702 N GLY A 49 10.314 -6.432 -4.587 1.00 0.00 N ATOM 703 CA GLY A 49 11.101 -5.868 -5.669 1.00 0.00 C ATOM 704 C GLY A 49 10.239 -5.308 -6.782 1.00 0.00 C ATOM 705 O GLY A 49 10.701 -5.142 -7.912 1.00 0.00 O ATOM 0 H GLY A 49 10.281 -5.864 -3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.740 -5.077 -5.276 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.759 -6.637 -6.075 1.00 0.00 H new ATOM 709 N HIS A 50 8.981 -5.017 -6.466 1.00 0.00 N ATOM 710 CA HIS A 50 8.051 -4.474 -7.449 1.00 0.00 C ATOM 711 C HIS A 50 7.497 -3.129 -6.988 1.00 0.00 C ATOM 712 O HIS A 50 7.112 -2.969 -5.830 1.00 0.00 O ATOM 713 CB HIS A 50 6.903 -5.454 -7.694 1.00 0.00 C ATOM 714 CG HIS A 50 7.357 -6.804 -8.158 1.00 0.00 C ATOM 715 ND1 HIS A 50 8.179 -6.987 -9.250 1.00 0.00 N ATOM 716 CD2 HIS A 50 7.101 -8.040 -7.671 1.00 0.00 C ATOM 717 CE1 HIS A 50 8.407 -8.277 -9.416 1.00 0.00 C ATOM 718 NE2 HIS A 50 7.765 -8.939 -8.470 1.00 0.00 N ATOM 0 H HIS A 50 8.582 -5.148 -5.536 1.00 0.00 H new ATOM 0 HA HIS A 50 8.595 -4.323 -8.382 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.331 -5.569 -6.773 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.228 -5.031 -8.438 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.488 -8.276 -6.813 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.015 -8.716 -10.193 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.763 -9.952 -8.352 1.00 0.00 H new ATOM 727 N SER A 51 7.461 -2.165 -7.902 1.00 0.00 N ATOM 728 CA SER A 51 6.959 -0.832 -7.588 1.00 0.00 C ATOM 729 C SER A 51 5.666 -0.546 -8.347 1.00 0.00 C ATOM 730 O SER A 51 5.681 -0.309 -9.554 1.00 0.00 O ATOM 731 CB SER A 51 8.010 0.226 -7.931 1.00 0.00 C ATOM 732 OG SER A 51 8.420 0.118 -9.283 1.00 0.00 O ATOM 0 H SER A 51 7.773 -2.282 -8.866 1.00 0.00 H new ATOM 0 HA SER A 51 6.749 -0.792 -6.519 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.602 1.220 -7.750 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.873 0.111 -7.276 1.00 0.00 H new ATOM 0 HG SER A 51 7.638 -0.050 -9.850 1.00 0.00 H new ATOM 738 N GLY A 52 4.548 -0.570 -7.628 1.00 0.00 N ATOM 739 CA GLY A 52 3.262 -0.312 -8.248 1.00 0.00 C ATOM 740 C GLY A 52 2.278 0.337 -7.295 1.00 0.00 C ATOM 741 O GLY A 52 2.574 0.516 -6.113 1.00 0.00 O ATOM 0 H GLY A 52 4.510 -0.764 -6.627 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.403 0.334 -9.115 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.844 -1.250 -8.614 1.00 0.00 H new ATOM 745 N PHE A 53 1.105 0.691 -7.809 1.00 0.00 N ATOM 746 CA PHE A 53 0.075 1.327 -6.995 1.00 0.00 C ATOM 747 C PHE A 53 -0.977 0.311 -6.558 1.00 0.00 C ATOM 748 O PHE A 53 -1.293 -0.627 -7.291 1.00 0.00 O ATOM 749 CB PHE A 53 -0.591 2.463 -7.774 1.00 0.00 C ATOM 750 CG PHE A 53 0.323 3.126 -8.765 1.00 0.00 C ATOM 751 CD1 PHE A 53 1.521 3.687 -8.355 1.00 0.00 C ATOM 752 CD2 PHE A 53 -0.017 3.188 -10.107 1.00 0.00 C ATOM 753 CE1 PHE A 53 2.363 4.299 -9.264 1.00 0.00 C ATOM 754 CE2 PHE A 53 0.821 3.798 -11.021 1.00 0.00 C ATOM 755 CZ PHE A 53 2.014 4.353 -10.599 1.00 0.00 C ATOM 0 H PHE A 53 0.844 0.549 -8.785 1.00 0.00 H new ATOM 0 HA PHE A 53 0.552 1.736 -6.105 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.461 2.071 -8.300 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.955 3.211 -7.070 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.800 3.646 -7.313 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.948 2.755 -10.442 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.293 4.735 -8.931 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.544 3.841 -12.064 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.672 4.828 -11.312 1.00 0.00 H new ATOM 765 N PHE A 54 -1.514 0.504 -5.358 1.00 0.00 N ATOM 766 CA PHE A 54 -2.529 -0.395 -4.821 1.00 0.00 C ATOM 767 C PHE A 54 -3.586 0.381 -4.041 1.00 0.00 C ATOM 768 O PHE A 54 -3.331 1.462 -3.508 1.00 0.00 O ATOM 769 CB PHE A 54 -1.882 -1.447 -3.918 1.00 0.00 C ATOM 770 CG PHE A 54 -0.894 -0.874 -2.943 1.00 0.00 C ATOM 771 CD1 PHE A 54 0.391 -0.552 -3.347 1.00 0.00 C ATOM 772 CD2 PHE A 54 -1.251 -0.658 -1.621 1.00 0.00 C ATOM 773 CE1 PHE A 54 1.303 -0.024 -2.452 1.00 0.00 C ATOM 774 CE2 PHE A 54 -0.344 -0.130 -0.722 1.00 0.00 C ATOM 775 CZ PHE A 54 0.935 0.186 -1.138 1.00 0.00 C ATOM 0 H PHE A 54 -1.263 1.275 -4.739 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.016 -0.895 -5.659 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.663 -1.971 -3.366 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.379 -2.188 -4.539 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.684 -0.715 -4.374 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.249 -0.905 -1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.302 0.224 -2.780 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.635 0.035 0.305 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.646 0.597 -0.436 1.00 0.00 H new ATOM 785 N PRO A 55 -4.801 -0.182 -3.970 1.00 0.00 N ATOM 786 CA PRO A 55 -5.921 0.440 -3.257 1.00 0.00 C ATOM 787 C PRO A 55 -5.722 0.431 -1.746 1.00 0.00 C ATOM 788 O PRO A 55 -5.027 -0.431 -1.206 1.00 0.00 O ATOM 789 CB PRO A 55 -7.116 -0.435 -3.644 1.00 0.00 C ATOM 790 CG PRO A 55 -6.524 -1.759 -3.982 1.00 0.00 C ATOM 791 CD PRO A 55 -5.175 -1.468 -4.581 1.00 0.00 C ATOM 0 HA PRO A 55 -6.040 1.491 -3.522 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.828 -0.518 -2.823 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.656 -0.015 -4.493 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.430 -2.383 -3.093 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.155 -2.301 -4.686 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.453 -2.250 -4.345 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.225 -1.397 -5.668 1.00 0.00 H new ATOM 799 N ILE A 56 -6.336 1.395 -1.067 1.00 0.00 N ATOM 800 CA ILE A 56 -6.227 1.497 0.383 1.00 0.00 C ATOM 801 C ILE A 56 -7.411 0.827 1.071 1.00 0.00 C ATOM 802 O ILE A 56 -7.366 0.543 2.267 1.00 0.00 O ATOM 803 CB ILE A 56 -6.146 2.966 0.839 1.00 0.00 C ATOM 804 CG1 ILE A 56 -4.977 3.673 0.151 1.00 0.00 C ATOM 805 CG2 ILE A 56 -6.002 3.043 2.352 1.00 0.00 C ATOM 806 CD1 ILE A 56 -5.342 4.284 -1.184 1.00 0.00 C ATOM 0 H ILE A 56 -6.914 2.116 -1.498 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.307 0.986 0.668 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.069 3.471 0.555 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.599 4.456 0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.166 2.959 0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.946 4.087 2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.864 2.571 2.824 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.093 2.525 2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.465 4.768 -1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.692 3.502 -1.858 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.131 5.022 -1.043 1.00 0.00 H new ATOM 818 N ASN A 57 -8.468 0.575 0.306 1.00 0.00 N ATOM 819 CA ASN A 57 -9.664 -0.064 0.843 1.00 0.00 C ATOM 820 C ASN A 57 -9.466 -1.572 0.969 1.00 0.00 C ATOM 821 O ASN A 57 -10.414 -2.313 1.229 1.00 0.00 O ATOM 822 CB ASN A 57 -10.870 0.230 -0.053 1.00 0.00 C ATOM 823 CG ASN A 57 -11.185 1.711 -0.130 1.00 0.00 C ATOM 824 OD1 ASN A 57 -11.851 2.262 0.748 1.00 0.00 O ATOM 825 ND2 ASN A 57 -10.708 2.364 -1.183 1.00 0.00 N ATOM 0 H ASN A 57 -8.521 0.803 -0.687 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.849 0.344 1.837 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.675 -0.150 -1.056 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.741 -0.305 0.327 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.889 3.362 -1.289 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.161 1.867 -1.886 1.00 0.00 H new ATOM 832 N TYR A 58 -8.229 -2.017 0.783 1.00 0.00 N ATOM 833 CA TYR A 58 -7.906 -3.436 0.874 1.00 0.00 C ATOM 834 C TYR A 58 -6.795 -3.678 1.892 1.00 0.00 C ATOM 835 O TYR A 58 -6.733 -4.733 2.522 1.00 0.00 O ATOM 836 CB TYR A 58 -7.485 -3.974 -0.494 1.00 0.00 C ATOM 837 CG TYR A 58 -8.650 -4.290 -1.405 1.00 0.00 C ATOM 838 CD1 TYR A 58 -9.374 -5.467 -1.257 1.00 0.00 C ATOM 839 CD2 TYR A 58 -9.028 -3.411 -2.412 1.00 0.00 C ATOM 840 CE1 TYR A 58 -10.439 -5.759 -2.087 1.00 0.00 C ATOM 841 CE2 TYR A 58 -10.092 -3.694 -3.246 1.00 0.00 C ATOM 842 CZ TYR A 58 -10.794 -4.870 -3.080 1.00 0.00 C ATOM 843 OH TYR A 58 -11.855 -5.158 -3.908 1.00 0.00 O ATOM 0 H TYR A 58 -7.433 -1.416 0.568 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.800 -3.965 1.206 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.842 -3.241 -0.981 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.890 -4.876 -0.353 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.099 -6.165 -0.480 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.480 -2.490 -2.545 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.991 -6.679 -1.959 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.373 -2.999 -4.023 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.974 -4.429 -4.552 1.00 0.00 H new ATOM 853 N VAL A 59 -5.918 -2.691 2.046 1.00 0.00 N ATOM 854 CA VAL A 59 -4.809 -2.793 2.987 1.00 0.00 C ATOM 855 C VAL A 59 -5.012 -1.865 4.179 1.00 0.00 C ATOM 856 O VAL A 59 -5.433 -0.719 4.021 1.00 0.00 O ATOM 857 CB VAL A 59 -3.466 -2.457 2.311 1.00 0.00 C ATOM 858 CG1 VAL A 59 -3.291 -3.270 1.038 1.00 0.00 C ATOM 859 CG2 VAL A 59 -3.376 -0.967 2.019 1.00 0.00 C ATOM 0 H VAL A 59 -5.954 -1.811 1.531 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.784 -3.826 3.335 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.659 -2.720 2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.337 -3.019 0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.309 -4.333 1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.102 -3.042 0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.421 -0.747 1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.190 -0.677 1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.453 -0.408 2.952 1.00 0.00 H new ATOM 869 N GLU A 60 -4.710 -2.367 5.372 1.00 0.00 N ATOM 870 CA GLU A 60 -4.860 -1.582 6.591 1.00 0.00 C ATOM 871 C GLU A 60 -3.644 -0.687 6.815 1.00 0.00 C ATOM 872 O GLU A 60 -2.504 -1.151 6.782 1.00 0.00 O ATOM 873 CB GLU A 60 -5.058 -2.503 7.797 1.00 0.00 C ATOM 874 CG GLU A 60 -5.765 -1.836 8.964 1.00 0.00 C ATOM 875 CD GLU A 60 -6.568 -2.815 9.797 1.00 0.00 C ATOM 876 OE1 GLU A 60 -7.488 -3.452 9.243 1.00 0.00 O ATOM 877 OE2 GLU A 60 -6.275 -2.946 11.005 1.00 0.00 O ATOM 0 H GLU A 60 -4.360 -3.314 5.520 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.740 -0.949 6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.632 -3.376 7.486 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.085 -2.864 8.131 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.027 -1.345 9.598 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.428 -1.058 8.585 1.00 0.00 H new ATOM 884 N ILE A 61 -3.897 0.597 7.043 1.00 0.00 N ATOM 885 CA ILE A 61 -2.824 1.557 7.272 1.00 0.00 C ATOM 886 C ILE A 61 -2.495 1.669 8.757 1.00 0.00 C ATOM 887 O ILE A 61 -3.291 2.183 9.544 1.00 0.00 O ATOM 888 CB ILE A 61 -3.191 2.952 6.733 1.00 0.00 C ATOM 889 CG1 ILE A 61 -3.293 2.922 5.207 1.00 0.00 C ATOM 890 CG2 ILE A 61 -2.164 3.981 7.181 1.00 0.00 C ATOM 891 CD1 ILE A 61 -2.169 2.159 4.541 1.00 0.00 C ATOM 0 H ILE A 61 -4.835 0.997 7.074 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.951 1.188 6.735 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.162 3.238 7.138 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.245 2.472 4.923 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.299 3.945 4.831 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.438 4.962 6.792 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.137 4.018 8.270 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.181 3.702 6.803 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.306 2.179 3.460 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.215 2.621 4.795 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.175 1.126 4.888 1.00 0.00 H new ATOM 903 N LEU A 62 -1.317 1.186 9.134 1.00 0.00 N ATOM 904 CA LEU A 62 -0.880 1.233 10.526 1.00 0.00 C ATOM 905 C LEU A 62 -0.184 2.554 10.833 1.00 0.00 C ATOM 906 O LEU A 62 -0.389 3.144 11.894 1.00 0.00 O ATOM 907 CB LEU A 62 0.062 0.065 10.825 1.00 0.00 C ATOM 908 CG LEU A 62 -0.412 -1.314 10.364 1.00 0.00 C ATOM 909 CD1 LEU A 62 0.777 -2.210 10.054 1.00 0.00 C ATOM 910 CD2 LEU A 62 -1.302 -1.953 11.420 1.00 0.00 C ATOM 0 H LEU A 62 -0.647 0.757 8.496 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.762 1.152 11.161 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.025 0.272 10.357 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.232 0.028 11.901 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.996 -1.190 9.452 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.421 -3.187 9.728 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.376 -1.759 9.263 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.388 -2.327 10.949 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.630 -2.934 11.075 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.742 -2.064 12.349 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.172 -1.320 11.594 1.00 0.00 H new ATOM 922 N VAL A 63 0.640 3.016 9.897 1.00 0.00 N ATOM 923 CA VAL A 63 1.364 4.269 10.067 1.00 0.00 C ATOM 924 C VAL A 63 0.947 5.292 9.015 1.00 0.00 C ATOM 925 O VAL A 63 1.248 5.139 7.832 1.00 0.00 O ATOM 926 CB VAL A 63 2.887 4.054 9.981 1.00 0.00 C ATOM 927 CG1 VAL A 63 3.618 5.387 10.014 1.00 0.00 C ATOM 928 CG2 VAL A 63 3.361 3.149 11.108 1.00 0.00 C ATOM 0 H VAL A 63 0.822 2.540 9.013 1.00 0.00 H new ATOM 0 HA VAL A 63 1.113 4.647 11.058 1.00 0.00 H new ATOM 0 HB VAL A 63 3.114 3.566 9.033 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.692 5.214 9.952 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.299 5.998 9.169 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.387 5.906 10.944 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.439 3.008 11.032 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.122 3.607 12.068 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.862 2.183 11.033 1.00 0.00 H new ATOM 938 N ALA A 64 0.251 6.335 9.456 1.00 0.00 N ATOM 939 CA ALA A 64 -0.205 7.385 8.554 1.00 0.00 C ATOM 940 C ALA A 64 0.972 8.165 7.979 1.00 0.00 C ATOM 941 O ALA A 64 1.896 8.538 8.703 1.00 0.00 O ATOM 942 CB ALA A 64 -1.161 8.323 9.276 1.00 0.00 C ATOM 0 H ALA A 64 -0.009 6.475 10.432 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.733 6.913 7.725 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.493 9.102 8.590 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.024 7.760 9.631 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.651 8.780 10.124 1.00 0.00 H new ATOM 948 N LEU A 65 0.933 8.409 6.673 1.00 0.00 N ATOM 949 CA LEU A 65 1.997 9.145 6.000 1.00 0.00 C ATOM 950 C LEU A 65 2.183 10.525 6.623 1.00 0.00 C ATOM 951 O LEU A 65 1.269 11.089 7.226 1.00 0.00 O ATOM 952 CB LEU A 65 1.684 9.284 4.509 1.00 0.00 C ATOM 953 CG LEU A 65 1.974 8.056 3.645 1.00 0.00 C ATOM 954 CD1 LEU A 65 1.071 8.040 2.422 1.00 0.00 C ATOM 955 CD2 LEU A 65 3.438 8.029 3.231 1.00 0.00 C ATOM 0 H LEU A 65 0.176 8.108 6.060 1.00 0.00 H new ATOM 0 HA LEU A 65 2.924 8.585 6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.629 9.538 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.256 10.124 4.115 1.00 0.00 H new ATOM 0 HG LEU A 65 1.768 7.163 4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.291 7.159 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.029 8.011 2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.245 8.938 1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.626 7.148 2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.671 8.927 2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.067 7.992 4.120 1.00 0.00 H new ATOM 967 N PRO A 66 3.393 11.084 6.474 1.00 0.00 N ATOM 968 CA PRO A 66 3.726 12.406 7.013 1.00 0.00 C ATOM 969 C PRO A 66 3.008 13.530 6.275 1.00 0.00 C ATOM 970 O PRO A 66 2.997 14.676 6.728 1.00 0.00 O ATOM 971 CB PRO A 66 5.239 12.505 6.798 1.00 0.00 C ATOM 972 CG PRO A 66 5.519 11.594 5.653 1.00 0.00 C ATOM 973 CD PRO A 66 4.529 10.468 5.768 1.00 0.00 C ATOM 0 HA PRO A 66 3.422 12.511 8.054 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.541 13.528 6.573 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.786 12.200 7.690 1.00 0.00 H new ATOM 0 HG2 PRO A 66 5.408 12.116 4.703 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.542 11.220 5.693 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.236 10.089 4.789 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.940 9.627 6.326 1.00 0.00 H new