USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 438 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 MET CE :methyl -171:sc=-0.00752 (180deg=-0.26) USER MOD Set 1.2: A 17 THR OG1 : rot 70:sc= 1.15 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 7 LYS NZ :NH3+ -167:sc= 0.981 (180deg=0.863) USER MOD Single : A 10 THR OG1 : rot 180:sc= -1.45! USER MOD Single : A 13 GLN : amide:sc= -1.03 K(o=-1,f=-0.0073) USER MOD Single : A 16 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.14) USER MOD Single : A 18 HIS : no HD1:sc= -0.41 K(o=-0.41,f=-3.2!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -30:sc= -0.262! USER MOD Single : A 29 ASN : amide:sc= -0.379 K(o=-0.38,f=0.24) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -22:sc= 0.0424 USER MOD Single : A 36 MET CE :methyl -149:sc= -0.156 (180deg=-1.01) USER MOD Single : A 39 GLN : amide:sc= -0.27 K(o=-0.27,f=-1.4!) USER MOD Single : A 40 ASN : amide:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : A 42 SER OG : rot -98:sc= 0.701 USER MOD Single : A 45 GLN : amide:sc= -1.39! K(o=-1.4!,f=0) USER MOD Single : A 48 ASN : amide:sc= -2.39! K(o=-2.4!,f=-0.057) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.756 K(o=-0.76,f=-4!) USER MOD Single : A 62 ASN : amide:sc= 1.59 K(o=1.6,f=0.28) USER MOD ----------------------------------------------------------------- ATOM 73 N PHE A 5 -6.554 6.804 -2.603 1.00 60.01 N ATOM 74 CA PHE A 5 -5.976 5.482 -2.343 1.00 73.43 C ATOM 75 C PHE A 5 -6.944 4.635 -1.508 1.00 33.21 C ATOM 76 O PHE A 5 -7.269 4.991 -0.374 1.00 61.11 O ATOM 77 CB PHE A 5 -4.631 5.619 -1.615 1.00 43.44 C ATOM 78 CG PHE A 5 -3.589 6.360 -2.413 1.00 23.22 C ATOM 79 CD1 PHE A 5 -2.772 5.685 -3.310 1.00 64.14 C ATOM 80 CD2 PHE A 5 -3.430 7.732 -2.274 1.00 70.35 C ATOM 81 CE1 PHE A 5 -1.822 6.363 -4.050 1.00 13.13 C ATOM 82 CE2 PHE A 5 -2.480 8.412 -3.011 1.00 13.24 C ATOM 83 CZ PHE A 5 -1.676 7.728 -3.899 1.00 61.22 C ATOM 0 HA PHE A 5 -5.806 4.984 -3.298 1.00 73.43 H new ATOM 0 HB2 PHE A 5 -4.790 6.137 -0.669 1.00 43.44 H new ATOM 0 HB3 PHE A 5 -4.254 4.625 -1.374 1.00 43.44 H new ATOM 0 HD1 PHE A 5 -2.880 4.617 -3.431 1.00 64.14 H new ATOM 0 HD2 PHE A 5 -4.057 8.274 -1.581 1.00 70.35 H new ATOM 0 HE1 PHE A 5 -1.194 5.826 -4.746 1.00 13.13 H new ATOM 0 HE2 PHE A 5 -2.367 9.479 -2.892 1.00 13.24 H new ATOM 0 HZ PHE A 5 -0.933 8.259 -4.476 1.00 61.22 H new ATOM 93 N THR A 6 -7.404 3.523 -2.076 1.00 23.13 N ATOM 94 CA THR A 6 -8.386 2.648 -1.409 1.00 63.43 C ATOM 95 C THR A 6 -7.861 1.219 -1.246 1.00 62.15 C ATOM 96 O THR A 6 -6.952 0.796 -1.954 1.00 65.33 O ATOM 97 CB THR A 6 -9.720 2.597 -2.197 1.00 30.21 C ATOM 98 OG1 THR A 6 -10.603 1.616 -1.627 1.00 3.41 O ATOM 99 CG2 THR A 6 -9.480 2.268 -3.668 1.00 35.21 C ATOM 0 H THR A 6 -7.116 3.199 -2.999 1.00 23.13 H new ATOM 0 HA THR A 6 -8.557 3.079 -0.422 1.00 63.43 H new ATOM 0 HB THR A 6 -10.180 3.583 -2.130 1.00 30.21 H new ATOM 0 HG1 THR A 6 -11.441 1.597 -2.134 1.00 3.41 H new ATOM 0 HG21 THR A 6 -10.434 2.239 -4.195 1.00 35.21 H new ATOM 0 HG22 THR A 6 -8.843 3.033 -4.113 1.00 35.21 H new ATOM 0 HG23 THR A 6 -8.992 1.297 -3.749 1.00 35.21 H new ATOM 107 N LYS A 7 -8.454 0.471 -0.320 1.00 44.30 N ATOM 108 CA LYS A 7 -8.075 -0.931 -0.093 1.00 60.12 C ATOM 109 C LYS A 7 -8.284 -1.781 -1.359 1.00 5.20 C ATOM 110 O LYS A 7 -7.619 -2.801 -1.557 1.00 32.23 O ATOM 111 CB LYS A 7 -8.916 -1.511 1.048 1.00 62.33 C ATOM 112 CG LYS A 7 -10.405 -1.613 0.713 1.00 60.40 C ATOM 113 CD LYS A 7 -11.206 -2.267 1.832 1.00 20.33 C ATOM 114 CE LYS A 7 -11.253 -1.405 3.085 1.00 64.33 C ATOM 115 NZ LYS A 7 -12.012 -2.069 4.175 1.00 61.33 N ATOM 0 H LYS A 7 -9.200 0.807 0.289 1.00 44.30 H new ATOM 0 HA LYS A 7 -7.017 -0.957 0.167 1.00 60.12 H new ATOM 0 HB2 LYS A 7 -8.539 -2.502 1.300 1.00 62.33 H new ATOM 0 HB3 LYS A 7 -8.792 -0.888 1.934 1.00 62.33 H new ATOM 0 HG2 LYS A 7 -10.801 -0.616 0.521 1.00 60.40 H new ATOM 0 HG3 LYS A 7 -10.530 -2.188 -0.204 1.00 60.40 H new ATOM 0 HD2 LYS A 7 -12.222 -2.457 1.486 1.00 20.33 H new ATOM 0 HD3 LYS A 7 -10.765 -3.234 2.075 1.00 20.33 H new ATOM 0 HE2 LYS A 7 -10.238 -1.196 3.422 1.00 64.33 H new ATOM 0 HE3 LYS A 7 -11.715 -0.446 2.851 1.00 64.33 H new ATOM 0 HZ1 LYS A 7 -12.215 -1.380 4.927 1.00 61.33 H new ATOM 0 HZ2 LYS A 7 -12.906 -2.443 3.798 1.00 61.33 H new ATOM 0 HZ3 LYS A 7 -11.447 -2.851 4.565 1.00 61.33 H new ATOM 129 N ASP A 8 -9.222 -1.342 -2.195 1.00 53.13 N ATOM 130 CA ASP A 8 -9.600 -2.049 -3.425 1.00 13.42 C ATOM 131 C ASP A 8 -8.436 -2.147 -4.433 1.00 22.41 C ATOM 132 O ASP A 8 -8.200 -3.205 -5.026 1.00 21.20 O ATOM 133 CB ASP A 8 -10.797 -1.322 -4.053 1.00 43.24 C ATOM 134 CG ASP A 8 -11.204 -1.897 -5.396 1.00 51.13 C ATOM 135 OD1 ASP A 8 -11.794 -2.992 -5.423 1.00 33.11 O ATOM 136 OD2 ASP A 8 -10.949 -1.244 -6.432 1.00 52.31 O ATOM 0 H ASP A 8 -9.747 -0.481 -2.041 1.00 53.13 H new ATOM 0 HA ASP A 8 -9.867 -3.074 -3.167 1.00 13.42 H new ATOM 0 HB2 ASP A 8 -11.645 -1.374 -3.370 1.00 43.24 H new ATOM 0 HB3 ASP A 8 -10.550 -0.267 -4.176 1.00 43.24 H new ATOM 141 N MET A 9 -7.709 -1.048 -4.616 1.00 2.51 N ATOM 142 CA MET A 9 -6.623 -0.989 -5.603 1.00 62.30 C ATOM 143 C MET A 9 -5.384 -1.780 -5.144 1.00 21.34 C ATOM 144 O MET A 9 -5.152 -1.970 -3.946 1.00 52.30 O ATOM 145 CB MET A 9 -6.258 0.473 -5.898 1.00 34.33 C ATOM 146 CG MET A 9 -5.806 1.263 -4.676 1.00 4.10 C ATOM 147 SD MET A 9 -5.765 3.045 -4.972 1.00 13.10 S ATOM 148 CE MET A 9 -4.548 3.155 -6.281 1.00 52.03 C ATOM 0 H MET A 9 -7.849 -0.182 -4.095 1.00 2.51 H new ATOM 0 HA MET A 9 -6.980 -1.458 -6.520 1.00 62.30 H new ATOM 0 HB2 MET A 9 -5.464 0.494 -6.644 1.00 34.33 H new ATOM 0 HB3 MET A 9 -7.122 0.970 -6.338 1.00 34.33 H new ATOM 0 HG2 MET A 9 -6.478 1.053 -3.844 1.00 4.10 H new ATOM 0 HG3 MET A 9 -4.813 0.926 -4.377 1.00 4.10 H new ATOM 0 HE1 MET A 9 -4.298 4.201 -6.459 1.00 52.03 H new ATOM 0 HE2 MET A 9 -3.649 2.612 -5.989 1.00 52.03 H new ATOM 0 HE3 MET A 9 -4.955 2.719 -7.193 1.00 52.03 H new ATOM 158 N THR A 10 -4.593 -2.237 -6.110 1.00 53.21 N ATOM 159 CA THR A 10 -3.421 -3.076 -5.826 1.00 44.34 C ATOM 160 C THR A 10 -2.190 -2.244 -5.447 1.00 22.33 C ATOM 161 O THR A 10 -2.143 -1.033 -5.689 1.00 12.11 O ATOM 162 CB THR A 10 -3.049 -3.951 -7.045 1.00 53.02 C ATOM 163 OG1 THR A 10 -2.636 -3.116 -8.139 1.00 53.03 O ATOM 164 CG2 THR A 10 -4.229 -4.817 -7.478 1.00 1.23 C ATOM 0 H THR A 10 -4.738 -2.043 -7.101 1.00 53.21 H new ATOM 0 HA THR A 10 -3.703 -3.705 -4.982 1.00 44.34 H new ATOM 0 HB THR A 10 -2.228 -4.607 -6.755 1.00 53.02 H new ATOM 0 HG1 THR A 10 -2.400 -3.677 -8.907 1.00 53.03 H new ATOM 0 HG21 THR A 10 -3.940 -5.422 -8.337 1.00 1.23 H new ATOM 0 HG22 THR A 10 -4.522 -5.470 -6.656 1.00 1.23 H new ATOM 0 HG23 THR A 10 -5.069 -4.178 -7.751 1.00 1.23 H new ATOM 172 N PHE A 11 -1.192 -2.907 -4.859 1.00 1.53 N ATOM 173 CA PHE A 11 0.088 -2.259 -4.537 1.00 43.23 C ATOM 174 C PHE A 11 0.717 -1.622 -5.785 1.00 2.24 C ATOM 175 O PHE A 11 1.236 -0.507 -5.728 1.00 73.33 O ATOM 176 CB PHE A 11 1.068 -3.266 -3.914 1.00 35.44 C ATOM 177 CG PHE A 11 0.666 -3.736 -2.537 1.00 12.21 C ATOM 178 CD1 PHE A 11 1.002 -2.995 -1.410 1.00 23.13 C ATOM 179 CD2 PHE A 11 -0.045 -4.915 -2.368 1.00 22.13 C ATOM 180 CE1 PHE A 11 0.635 -3.423 -0.148 1.00 71.31 C ATOM 181 CE2 PHE A 11 -0.413 -5.344 -1.109 1.00 74.21 C ATOM 182 CZ PHE A 11 -0.072 -4.596 0.003 1.00 63.43 C ATOM 0 H PHE A 11 -1.242 -3.891 -4.595 1.00 1.53 H new ATOM 0 HA PHE A 11 -0.116 -1.471 -3.812 1.00 43.23 H new ATOM 0 HB2 PHE A 11 1.153 -4.131 -4.572 1.00 35.44 H new ATOM 0 HB3 PHE A 11 2.056 -2.810 -3.858 1.00 35.44 H new ATOM 0 HD1 PHE A 11 1.556 -2.075 -1.522 1.00 23.13 H new ATOM 0 HD2 PHE A 11 -0.314 -5.504 -3.232 1.00 22.13 H new ATOM 0 HE1 PHE A 11 0.902 -2.838 0.720 1.00 71.31 H new ATOM 0 HE2 PHE A 11 -0.967 -6.264 -0.992 1.00 74.21 H new ATOM 0 HZ PHE A 11 -0.360 -4.931 0.989 1.00 63.43 H new ATOM 192 N ALA A 12 0.654 -2.337 -6.913 1.00 13.34 N ATOM 193 CA ALA A 12 1.171 -1.825 -8.188 1.00 30.24 C ATOM 194 C ALA A 12 0.502 -0.500 -8.579 1.00 64.50 C ATOM 195 O ALA A 12 1.181 0.485 -8.876 1.00 4.23 O ATOM 196 CB ALA A 12 0.973 -2.859 -9.293 1.00 60.33 C ATOM 0 H ALA A 12 0.250 -3.272 -6.970 1.00 13.34 H new ATOM 0 HA ALA A 12 2.237 -1.636 -8.060 1.00 30.24 H new ATOM 0 HB1 ALA A 12 1.361 -2.466 -10.233 1.00 60.33 H new ATOM 0 HB2 ALA A 12 1.506 -3.774 -9.035 1.00 60.33 H new ATOM 0 HB3 ALA A 12 -0.090 -3.076 -9.402 1.00 60.33 H new ATOM 202 N GLN A 13 -0.831 -0.477 -8.565 1.00 12.25 N ATOM 203 CA GLN A 13 -1.584 0.738 -8.901 1.00 0.00 C ATOM 204 C GLN A 13 -1.225 1.899 -7.961 1.00 13.13 C ATOM 205 O GLN A 13 -1.040 3.035 -8.401 1.00 21.40 O ATOM 206 CB GLN A 13 -3.093 0.472 -8.840 1.00 21.02 C ATOM 207 CG GLN A 13 -3.576 -0.624 -9.790 1.00 54.14 C ATOM 208 CD GLN A 13 -5.082 -0.834 -9.740 1.00 0.44 C ATOM 209 OE1 GLN A 13 -5.577 -1.945 -9.912 1.00 22.11 O ATOM 210 NE2 GLN A 13 -5.825 0.233 -9.529 1.00 71.55 N ATOM 0 H GLN A 13 -1.412 -1.281 -8.326 1.00 12.25 H new ATOM 0 HA GLN A 13 -1.310 1.021 -9.917 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.361 0.197 -7.820 1.00 21.02 H new ATOM 0 HB3 GLN A 13 -3.623 1.396 -9.070 1.00 21.02 H new ATOM 0 HG2 GLN A 13 -3.284 -0.369 -10.809 1.00 54.14 H new ATOM 0 HG3 GLN A 13 -3.076 -1.560 -9.540 1.00 54.14 H new ATOM 0 HE21 GLN A 13 -5.384 1.142 -9.390 1.00 71.55 H new ATOM 0 HE22 GLN A 13 -6.841 0.150 -9.505 1.00 71.55 H new ATOM 219 N ALA A 14 -1.134 1.610 -6.664 1.00 50.43 N ATOM 220 CA ALA A 14 -0.755 2.620 -5.669 1.00 40.41 C ATOM 221 C ALA A 14 0.618 3.233 -5.992 1.00 3.54 C ATOM 222 O ALA A 14 0.768 4.456 -6.052 1.00 10.22 O ATOM 223 CB ALA A 14 -0.754 2.004 -4.274 1.00 1.45 C ATOM 0 H ALA A 14 -1.317 0.685 -6.274 1.00 50.43 H new ATOM 0 HA ALA A 14 -1.491 3.424 -5.700 1.00 40.41 H new ATOM 0 HB1 ALA A 14 -0.472 2.761 -3.542 1.00 1.45 H new ATOM 0 HB2 ALA A 14 -1.750 1.628 -4.041 1.00 1.45 H new ATOM 0 HB3 ALA A 14 -0.039 1.182 -4.240 1.00 1.45 H new ATOM 229 N LEU A 15 1.607 2.368 -6.222 1.00 72.31 N ATOM 230 CA LEU A 15 2.964 2.806 -6.576 1.00 64.44 C ATOM 231 C LEU A 15 2.979 3.641 -7.868 1.00 2.23 C ATOM 232 O LEU A 15 3.743 4.599 -7.991 1.00 45.53 O ATOM 233 CB LEU A 15 3.890 1.589 -6.737 1.00 41.12 C ATOM 234 CG LEU A 15 4.097 0.745 -5.467 1.00 31.02 C ATOM 235 CD1 LEU A 15 4.965 -0.477 -5.762 1.00 61.34 C ATOM 236 CD2 LEU A 15 4.713 1.588 -4.352 1.00 74.01 C ATOM 0 H LEU A 15 1.496 1.355 -6.170 1.00 72.31 H new ATOM 0 HA LEU A 15 3.324 3.437 -5.764 1.00 64.44 H new ATOM 0 HB2 LEU A 15 3.484 0.946 -7.518 1.00 41.12 H new ATOM 0 HB3 LEU A 15 4.863 1.937 -7.084 1.00 41.12 H new ATOM 0 HG LEU A 15 3.121 0.395 -5.131 1.00 31.02 H new ATOM 0 HD11 LEU A 15 5.097 -1.058 -4.849 1.00 61.34 H new ATOM 0 HD12 LEU A 15 4.480 -1.094 -6.518 1.00 61.34 H new ATOM 0 HD13 LEU A 15 5.938 -0.152 -6.129 1.00 61.34 H new ATOM 0 HD21 LEU A 15 4.851 0.972 -3.464 1.00 74.01 H new ATOM 0 HD22 LEU A 15 5.678 1.974 -4.679 1.00 74.01 H new ATOM 0 HD23 LEU A 15 4.050 2.421 -4.117 1.00 74.01 H new ATOM 248 N GLN A 16 2.139 3.268 -8.834 1.00 42.41 N ATOM 249 CA GLN A 16 2.072 3.981 -10.116 1.00 20.54 C ATOM 250 C GLN A 16 1.298 5.303 -10.002 1.00 63.32 C ATOM 251 O GLN A 16 1.498 6.216 -10.804 1.00 24.52 O ATOM 252 CB GLN A 16 1.445 3.090 -11.198 1.00 63.13 C ATOM 253 CG GLN A 16 2.225 1.806 -11.465 1.00 2.02 C ATOM 254 CD GLN A 16 3.701 2.061 -11.729 1.00 75.23 C ATOM 255 OE1 GLN A 16 4.112 2.287 -12.862 1.00 22.24 O ATOM 256 NE2 GLN A 16 4.510 2.016 -10.690 1.00 42.41 N ATOM 0 H GLN A 16 1.497 2.480 -8.757 1.00 42.41 H new ATOM 0 HA GLN A 16 3.095 4.223 -10.402 1.00 20.54 H new ATOM 0 HB2 GLN A 16 0.429 2.832 -10.899 1.00 63.13 H new ATOM 0 HB3 GLN A 16 1.370 3.658 -12.125 1.00 63.13 H new ATOM 0 HG2 GLN A 16 2.123 1.139 -10.609 1.00 2.02 H new ATOM 0 HG3 GLN A 16 1.790 1.293 -12.323 1.00 2.02 H new ATOM 0 HE21 GLN A 16 4.136 1.826 -9.760 1.00 42.41 H new ATOM 0 HE22 GLN A 16 5.510 2.172 -10.815 1.00 42.41 H new ATOM 265 N THR A 17 0.409 5.397 -9.015 1.00 31.52 N ATOM 266 CA THR A 17 -0.337 6.641 -8.757 1.00 72.33 C ATOM 267 C THR A 17 0.542 7.656 -8.012 1.00 4.10 C ATOM 268 O THR A 17 0.458 8.861 -8.245 1.00 64.10 O ATOM 269 CB THR A 17 -1.627 6.371 -7.934 1.00 65.45 C ATOM 270 OG1 THR A 17 -2.457 5.420 -8.622 1.00 42.10 O ATOM 271 CG2 THR A 17 -2.426 7.655 -7.691 1.00 51.05 C ATOM 0 H THR A 17 0.184 4.632 -8.379 1.00 31.52 H new ATOM 0 HA THR A 17 -0.623 7.053 -9.725 1.00 72.33 H new ATOM 0 HB THR A 17 -1.321 5.972 -6.967 1.00 65.45 H new ATOM 0 HG1 THR A 17 -2.032 4.537 -8.598 1.00 42.10 H new ATOM 0 HG21 THR A 17 -3.320 7.423 -7.112 1.00 51.05 H new ATOM 0 HG22 THR A 17 -1.812 8.367 -7.140 1.00 51.05 H new ATOM 0 HG23 THR A 17 -2.716 8.090 -8.648 1.00 51.05 H new ATOM 279 N HIS A 18 1.378 7.155 -7.106 1.00 35.35 N ATOM 280 CA HIS A 18 2.349 7.985 -6.379 1.00 54.10 C ATOM 281 C HIS A 18 3.570 7.157 -5.954 1.00 2.00 C ATOM 282 O HIS A 18 3.464 6.309 -5.072 1.00 60.24 O ATOM 283 CB HIS A 18 1.704 8.619 -5.131 1.00 3.22 C ATOM 284 CG HIS A 18 1.065 9.954 -5.375 1.00 33.12 C ATOM 285 ND1 HIS A 18 -0.240 10.103 -5.784 1.00 75.30 N ATOM 286 CD2 HIS A 18 1.559 11.208 -5.249 1.00 14.41 C ATOM 287 CE1 HIS A 18 -0.520 11.385 -5.897 1.00 74.22 C ATOM 288 NE2 HIS A 18 0.552 12.079 -5.581 1.00 12.15 N ATOM 0 H HIS A 18 1.406 6.167 -6.852 1.00 35.35 H new ATOM 0 HA HIS A 18 2.673 8.776 -7.055 1.00 54.10 H new ATOM 0 HB2 HIS A 18 0.951 7.935 -4.739 1.00 3.22 H new ATOM 0 HB3 HIS A 18 2.466 8.730 -4.360 1.00 3.22 H new ATOM 0 HD2 HIS A 18 2.560 11.474 -4.944 1.00 14.41 H new ATOM 0 HE1 HIS A 18 -1.471 11.798 -6.199 1.00 74.22 H new ATOM 0 HE2 HIS A 18 0.623 13.097 -5.583 1.00 12.15 H new ATOM 297 N PRO A 19 4.743 7.378 -6.577 1.00 75.51 N ATOM 298 CA PRO A 19 5.994 6.701 -6.177 1.00 31.22 C ATOM 299 C PRO A 19 6.300 6.843 -4.674 1.00 35.14 C ATOM 300 O PRO A 19 6.973 5.996 -4.085 1.00 4.35 O ATOM 301 CB PRO A 19 7.062 7.409 -7.021 1.00 72.42 C ATOM 302 CG PRO A 19 6.322 7.884 -8.224 1.00 60.25 C ATOM 303 CD PRO A 19 4.951 8.273 -7.734 1.00 34.11 C ATOM 0 HA PRO A 19 5.943 5.625 -6.342 1.00 31.22 H new ATOM 0 HB2 PRO A 19 7.513 8.239 -6.478 1.00 72.42 H new ATOM 0 HB3 PRO A 19 7.870 6.729 -7.293 1.00 72.42 H new ATOM 0 HG2 PRO A 19 6.828 8.732 -8.685 1.00 60.25 H new ATOM 0 HG3 PRO A 19 6.260 7.101 -8.980 1.00 60.25 H new ATOM 0 HD2 PRO A 19 4.909 9.323 -7.444 1.00 34.11 H new ATOM 0 HD3 PRO A 19 4.191 8.124 -8.501 1.00 34.11 H new ATOM 311 N GLY A 20 5.794 7.917 -4.063 1.00 64.35 N ATOM 312 CA GLY A 20 5.947 8.119 -2.624 1.00 70.02 C ATOM 313 C GLY A 20 5.331 6.998 -1.793 1.00 44.12 C ATOM 314 O GLY A 20 5.744 6.758 -0.657 1.00 33.21 O ATOM 0 H GLY A 20 5.278 8.655 -4.541 1.00 64.35 H new ATOM 0 HA2 GLY A 20 7.007 8.199 -2.385 1.00 70.02 H new ATOM 0 HA3 GLY A 20 5.485 9.066 -2.345 1.00 70.02 H new ATOM 318 N VAL A 21 4.341 6.310 -2.366 1.00 3.34 N ATOM 319 CA VAL A 21 3.711 5.159 -1.715 1.00 72.12 C ATOM 320 C VAL A 21 4.754 4.092 -1.341 1.00 0.23 C ATOM 321 O VAL A 21 4.609 3.394 -0.339 1.00 25.33 O ATOM 322 CB VAL A 21 2.617 4.532 -2.625 1.00 64.11 C ATOM 323 CG1 VAL A 21 2.065 3.237 -2.029 1.00 13.32 C ATOM 324 CG2 VAL A 21 1.486 5.530 -2.871 1.00 10.43 C ATOM 0 H VAL A 21 3.957 6.532 -3.284 1.00 3.34 H new ATOM 0 HA VAL A 21 3.241 5.521 -0.801 1.00 72.12 H new ATOM 0 HB VAL A 21 3.083 4.287 -3.579 1.00 64.11 H new ATOM 0 HG11 VAL A 21 1.303 2.827 -2.692 1.00 13.32 H new ATOM 0 HG12 VAL A 21 2.874 2.515 -1.916 1.00 13.32 H new ATOM 0 HG13 VAL A 21 1.624 3.444 -1.054 1.00 13.32 H new ATOM 0 HG21 VAL A 21 0.730 5.073 -3.510 1.00 10.43 H new ATOM 0 HG22 VAL A 21 1.035 5.811 -1.919 1.00 10.43 H new ATOM 0 HG23 VAL A 21 1.885 6.419 -3.360 1.00 10.43 H new ATOM 334 N ALA A 22 5.814 3.987 -2.144 1.00 45.02 N ATOM 335 CA ALA A 22 6.909 3.051 -1.864 1.00 54.33 C ATOM 336 C ALA A 22 7.502 3.285 -0.468 1.00 3.33 C ATOM 337 O ALA A 22 7.632 2.352 0.326 1.00 32.30 O ATOM 338 CB ALA A 22 7.996 3.169 -2.927 1.00 53.43 C ATOM 0 H ALA A 22 5.939 4.537 -2.994 1.00 45.02 H new ATOM 0 HA ALA A 22 6.498 2.042 -1.889 1.00 54.33 H new ATOM 0 HB1 ALA A 22 8.800 2.468 -2.704 1.00 53.43 H new ATOM 0 HB2 ALA A 22 7.575 2.939 -3.905 1.00 53.43 H new ATOM 0 HB3 ALA A 22 8.391 4.185 -2.932 1.00 53.43 H new ATOM 344 N GLY A 23 7.847 4.540 -0.168 1.00 22.23 N ATOM 345 CA GLY A 23 8.389 4.880 1.146 1.00 34.45 C ATOM 346 C GLY A 23 7.409 4.597 2.284 1.00 20.21 C ATOM 347 O GLY A 23 7.812 4.199 3.381 1.00 62.21 O ATOM 0 H GLY A 23 7.761 5.328 -0.810 1.00 22.23 H new ATOM 0 HA2 GLY A 23 9.305 4.314 1.313 1.00 34.45 H new ATOM 0 HA3 GLY A 23 8.659 5.936 1.160 1.00 34.45 H new ATOM 351 N VAL A 24 6.117 4.803 2.024 1.00 31.23 N ATOM 352 CA VAL A 24 5.073 4.505 3.013 1.00 30.42 C ATOM 353 C VAL A 24 4.974 2.991 3.276 1.00 42.23 C ATOM 354 O VAL A 24 5.036 2.544 4.422 1.00 73.44 O ATOM 355 CB VAL A 24 3.691 5.038 2.560 1.00 54.33 C ATOM 356 CG1 VAL A 24 2.626 4.752 3.616 1.00 61.53 C ATOM 357 CG2 VAL A 24 3.763 6.533 2.246 1.00 54.43 C ATOM 0 H VAL A 24 5.766 5.174 1.141 1.00 31.23 H new ATOM 0 HA VAL A 24 5.358 5.011 3.935 1.00 30.42 H new ATOM 0 HB VAL A 24 3.407 4.515 1.647 1.00 54.33 H new ATOM 0 HG11 VAL A 24 1.664 5.135 3.276 1.00 61.53 H new ATOM 0 HG12 VAL A 24 2.552 3.676 3.776 1.00 61.53 H new ATOM 0 HG13 VAL A 24 2.901 5.240 4.551 1.00 61.53 H new ATOM 0 HG21 VAL A 24 2.781 6.886 1.930 1.00 54.43 H new ATOM 0 HG22 VAL A 24 4.075 7.077 3.137 1.00 54.43 H new ATOM 0 HG23 VAL A 24 4.484 6.703 1.447 1.00 54.43 H new ATOM 367 N LEU A 25 4.833 2.204 2.209 1.00 10.12 N ATOM 368 CA LEU A 25 4.796 0.740 2.324 1.00 61.44 C ATOM 369 C LEU A 25 6.048 0.215 3.045 1.00 43.13 C ATOM 370 O LEU A 25 5.962 -0.652 3.912 1.00 24.10 O ATOM 371 CB LEU A 25 4.675 0.095 0.935 1.00 33.54 C ATOM 372 CG LEU A 25 3.421 0.490 0.136 1.00 54.24 C ATOM 373 CD1 LEU A 25 3.418 -0.175 -1.237 1.00 52.44 C ATOM 374 CD2 LEU A 25 2.152 0.139 0.909 1.00 3.13 C ATOM 0 H LEU A 25 4.742 2.552 1.255 1.00 10.12 H new ATOM 0 HA LEU A 25 3.921 0.469 2.915 1.00 61.44 H new ATOM 0 HB2 LEU A 25 5.557 0.360 0.351 1.00 33.54 H new ATOM 0 HB3 LEU A 25 4.685 -0.989 1.053 1.00 33.54 H new ATOM 0 HG LEU A 25 3.442 1.570 -0.011 1.00 54.24 H new ATOM 0 HD11 LEU A 25 2.521 0.120 -1.782 1.00 52.44 H new ATOM 0 HD12 LEU A 25 4.301 0.137 -1.795 1.00 52.44 H new ATOM 0 HD13 LEU A 25 3.429 -1.258 -1.117 1.00 52.44 H new ATOM 0 HD21 LEU A 25 1.278 0.427 0.324 1.00 3.13 H new ATOM 0 HD22 LEU A 25 2.125 -0.934 1.096 1.00 3.13 H new ATOM 0 HD23 LEU A 25 2.145 0.673 1.859 1.00 3.13 H new ATOM 386 N ARG A 26 7.210 0.761 2.686 1.00 64.50 N ATOM 387 CA ARG A 26 8.469 0.446 3.379 1.00 3.34 C ATOM 388 C ARG A 26 8.386 0.812 4.871 1.00 44.11 C ATOM 389 O ARG A 26 8.841 0.057 5.731 1.00 42.31 O ATOM 390 CB ARG A 26 9.637 1.193 2.717 1.00 71.44 C ATOM 391 CG ARG A 26 10.012 0.660 1.337 1.00 74.12 C ATOM 392 CD ARG A 26 10.979 1.591 0.610 1.00 74.33 C ATOM 393 NE ARG A 26 12.118 1.979 1.443 1.00 0.21 N ATOM 394 CZ ARG A 26 13.255 2.414 0.974 1.00 23.31 C ATOM 395 NH1 ARG A 26 13.466 2.477 -0.305 1.00 11.31 N ATOM 396 NH2 ARG A 26 14.187 2.774 1.791 1.00 51.15 N ATOM 0 H ARG A 26 7.310 1.425 1.918 1.00 64.50 H new ATOM 0 HA ARG A 26 8.640 -0.628 3.301 1.00 3.34 H new ATOM 0 HB2 ARG A 26 9.377 2.248 2.629 1.00 71.44 H new ATOM 0 HB3 ARG A 26 10.509 1.132 3.368 1.00 71.44 H new ATOM 0 HG2 ARG A 26 10.465 -0.326 1.440 1.00 74.12 H new ATOM 0 HG3 ARG A 26 9.110 0.535 0.739 1.00 74.12 H new ATOM 0 HD2 ARG A 26 11.344 1.099 -0.291 1.00 74.33 H new ATOM 0 HD3 ARG A 26 10.445 2.486 0.291 1.00 74.33 H new ATOM 0 HE ARG A 26 12.016 1.905 2.455 1.00 0.21 H new ATOM 0 HH11 ARG A 26 12.738 2.184 -0.957 1.00 11.31 H new ATOM 0 HH12 ARG A 26 14.360 2.819 -0.658 1.00 11.31 H new ATOM 0 HH21 ARG A 26 14.033 2.718 2.798 1.00 51.15 H new ATOM 0 HH22 ARG A 26 15.078 3.115 1.430 1.00 51.15 H new ATOM 410 N SER A 27 7.796 1.971 5.162 1.00 44.34 N ATOM 411 CA SER A 27 7.603 2.431 6.549 1.00 62.13 C ATOM 412 C SER A 27 6.738 1.447 7.349 1.00 70.42 C ATOM 413 O SER A 27 6.971 1.219 8.536 1.00 21.22 O ATOM 414 CB SER A 27 6.952 3.826 6.562 1.00 1.53 C ATOM 415 OG SER A 27 6.739 4.300 7.884 1.00 12.52 O ATOM 0 H SER A 27 7.440 2.616 4.456 1.00 44.34 H new ATOM 0 HA SER A 27 8.584 2.485 7.021 1.00 62.13 H new ATOM 0 HB2 SER A 27 7.588 4.528 6.023 1.00 1.53 H new ATOM 0 HB3 SER A 27 6.000 3.787 6.033 1.00 1.53 H new ATOM 0 HG SER A 27 6.326 5.188 7.851 1.00 12.52 H new ATOM 421 N TYR A 28 5.750 0.851 6.683 1.00 63.13 N ATOM 422 CA TYR A 28 4.850 -0.123 7.320 1.00 44.11 C ATOM 423 C TYR A 28 5.256 -1.578 7.014 1.00 50.44 C ATOM 424 O TYR A 28 4.420 -2.478 7.031 1.00 74.21 O ATOM 425 CB TYR A 28 3.401 0.140 6.881 1.00 14.42 C ATOM 426 CG TYR A 28 2.833 1.430 7.452 1.00 10.23 C ATOM 427 CD1 TYR A 28 3.120 2.663 6.869 1.00 34.34 C ATOM 428 CD2 TYR A 28 2.024 1.416 8.585 1.00 63.24 C ATOM 429 CE1 TYR A 28 2.624 3.838 7.401 1.00 75.42 C ATOM 430 CE2 TYR A 28 1.520 2.589 9.116 1.00 12.11 C ATOM 431 CZ TYR A 28 1.825 3.796 8.520 1.00 74.42 C ATOM 432 OH TYR A 28 1.337 4.965 9.055 1.00 61.52 O ATOM 0 H TYR A 28 5.548 1.023 5.698 1.00 63.13 H new ATOM 0 HA TYR A 28 4.930 0.007 8.399 1.00 44.11 H new ATOM 0 HB2 TYR A 28 3.359 0.181 5.793 1.00 14.42 H new ATOM 0 HB3 TYR A 28 2.775 -0.696 7.193 1.00 14.42 H new ATOM 0 HD1 TYR A 28 3.741 2.701 5.986 1.00 34.34 H new ATOM 0 HD2 TYR A 28 1.786 0.474 9.057 1.00 63.24 H new ATOM 0 HE1 TYR A 28 2.863 4.785 6.940 1.00 75.42 H new ATOM 0 HE2 TYR A 28 0.891 2.561 9.993 1.00 12.11 H new ATOM 0 HH TYR A 28 1.969 5.694 8.880 1.00 61.52 H new ATOM 442 N ASN A 29 6.546 -1.797 6.733 1.00 32.44 N ATOM 443 CA ASN A 29 7.107 -3.156 6.594 1.00 0.21 C ATOM 444 C ASN A 29 6.488 -3.938 5.407 1.00 21.21 C ATOM 445 O ASN A 29 6.675 -5.149 5.273 1.00 62.34 O ATOM 446 CB ASN A 29 6.911 -3.924 7.916 1.00 75.21 C ATOM 447 CG ASN A 29 7.899 -5.066 8.110 1.00 72.52 C ATOM 448 OD1 ASN A 29 8.402 -5.652 7.158 1.00 4.21 O ATOM 449 ND2 ASN A 29 8.173 -5.400 9.354 1.00 0.41 N ATOM 0 H ASN A 29 7.227 -1.050 6.596 1.00 32.44 H new ATOM 0 HA ASN A 29 8.170 -3.059 6.376 1.00 0.21 H new ATOM 0 HB2 ASN A 29 7.006 -3.227 8.749 1.00 75.21 H new ATOM 0 HB3 ASN A 29 5.897 -4.323 7.948 1.00 75.21 H new ATOM 0 HD21 ASN A 29 8.820 -6.165 9.546 1.00 0.41 H new ATOM 0 HD22 ASN A 29 7.739 -4.894 10.126 1.00 0.41 H new ATOM 456 N LEU A 30 5.765 -3.241 4.536 1.00 32.04 N ATOM 457 CA LEU A 30 5.168 -3.866 3.348 1.00 33.00 C ATOM 458 C LEU A 30 6.135 -3.862 2.152 1.00 62.43 C ATOM 459 O LEU A 30 5.792 -4.318 1.068 1.00 73.34 O ATOM 460 CB LEU A 30 3.864 -3.149 2.964 1.00 34.54 C ATOM 461 CG LEU A 30 2.757 -3.175 4.031 1.00 52.23 C ATOM 462 CD1 LEU A 30 1.537 -2.397 3.555 1.00 15.11 C ATOM 463 CD2 LEU A 30 2.373 -4.612 4.379 1.00 15.30 C ATOM 0 H LEU A 30 5.575 -2.243 4.626 1.00 32.04 H new ATOM 0 HA LEU A 30 4.952 -4.904 3.602 1.00 33.00 H new ATOM 0 HB2 LEU A 30 4.096 -2.110 2.731 1.00 34.54 H new ATOM 0 HB3 LEU A 30 3.476 -3.601 2.051 1.00 34.54 H new ATOM 0 HG LEU A 30 3.142 -2.697 4.932 1.00 52.23 H new ATOM 0 HD11 LEU A 30 0.764 -2.427 4.323 1.00 15.11 H new ATOM 0 HD12 LEU A 30 1.818 -1.362 3.363 1.00 15.11 H new ATOM 0 HD13 LEU A 30 1.154 -2.845 2.638 1.00 15.11 H new ATOM 0 HD21 LEU A 30 1.588 -4.606 5.136 1.00 15.30 H new ATOM 0 HD22 LEU A 30 2.011 -5.119 3.484 1.00 15.30 H new ATOM 0 HD23 LEU A 30 3.246 -5.138 4.766 1.00 15.30 H new ATOM 475 N GLY A 31 7.353 -3.365 2.364 1.00 44.34 N ATOM 476 CA GLY A 31 8.343 -3.294 1.288 1.00 21.32 C ATOM 477 C GLY A 31 8.636 -4.643 0.626 1.00 72.41 C ATOM 478 O GLY A 31 9.031 -4.699 -0.538 1.00 45.21 O ATOM 0 H GLY A 31 7.677 -3.008 3.263 1.00 44.34 H new ATOM 0 HA2 GLY A 31 7.990 -2.596 0.528 1.00 21.32 H new ATOM 0 HA3 GLY A 31 9.272 -2.887 1.688 1.00 21.32 H new ATOM 482 N CYS A 32 8.424 -5.730 1.364 1.00 74.04 N ATOM 483 CA CYS A 32 8.713 -7.082 0.863 1.00 73.44 C ATOM 484 C CYS A 32 7.684 -7.567 -0.178 1.00 30.13 C ATOM 485 O CYS A 32 7.788 -8.689 -0.686 1.00 62.23 O ATOM 486 CB CYS A 32 8.777 -8.073 2.029 1.00 21.13 C ATOM 487 SG CYS A 32 10.021 -7.663 3.279 1.00 4.34 S ATOM 0 H CYS A 32 8.052 -5.706 2.314 1.00 74.04 H new ATOM 0 HA CYS A 32 9.679 -7.032 0.361 1.00 73.44 H new ATOM 0 HB2 CYS A 32 7.798 -8.119 2.507 1.00 21.13 H new ATOM 0 HB3 CYS A 32 8.987 -9.068 1.636 1.00 21.13 H new ATOM 0 HG CYS A 32 9.998 -8.556 4.224 1.00 4.34 H new ATOM 493 N ILE A 33 6.695 -6.725 -0.504 1.00 33.42 N ATOM 494 CA ILE A 33 5.697 -7.065 -1.533 1.00 55.32 C ATOM 495 C ILE A 33 6.361 -7.435 -2.868 1.00 54.12 C ATOM 496 O ILE A 33 5.840 -8.255 -3.626 1.00 71.44 O ATOM 497 CB ILE A 33 4.690 -5.910 -1.777 1.00 23.01 C ATOM 498 CG1 ILE A 33 5.441 -4.601 -2.084 1.00 62.34 C ATOM 499 CG2 ILE A 33 3.749 -5.749 -0.585 1.00 73.15 C ATOM 500 CD1 ILE A 33 4.536 -3.419 -2.357 1.00 2.01 C ATOM 0 H ILE A 33 6.563 -5.809 -0.075 1.00 33.42 H new ATOM 0 HA ILE A 33 5.155 -7.929 -1.147 1.00 55.32 H new ATOM 0 HB ILE A 33 4.079 -6.158 -2.645 1.00 23.01 H new ATOM 0 HG12 ILE A 33 6.090 -4.361 -1.242 1.00 62.34 H new ATOM 0 HG13 ILE A 33 6.086 -4.759 -2.949 1.00 62.34 H new ATOM 0 HG21 ILE A 33 3.052 -4.934 -0.779 1.00 73.15 H new ATOM 0 HG22 ILE A 33 3.192 -6.674 -0.434 1.00 73.15 H new ATOM 0 HG23 ILE A 33 4.330 -5.525 0.310 1.00 73.15 H new ATOM 0 HD11 ILE A 33 5.142 -2.537 -2.564 1.00 2.01 H new ATOM 0 HD12 ILE A 33 3.904 -3.636 -3.218 1.00 2.01 H new ATOM 0 HD13 ILE A 33 3.909 -3.232 -1.485 1.00 2.01 H new ATOM 512 N GLY A 34 7.515 -6.833 -3.146 1.00 21.52 N ATOM 513 CA GLY A 34 8.253 -7.152 -4.360 1.00 72.41 C ATOM 514 C GLY A 34 8.756 -8.595 -4.372 1.00 25.10 C ATOM 515 O GLY A 34 8.518 -9.337 -5.325 1.00 1.21 O ATOM 0 H GLY A 34 7.954 -6.129 -2.552 1.00 21.52 H new ATOM 0 HA2 GLY A 34 7.612 -6.986 -5.226 1.00 72.41 H new ATOM 0 HA3 GLY A 34 9.101 -6.473 -4.456 1.00 72.41 H new ATOM 519 N CYS A 35 9.424 -8.997 -3.291 1.00 55.24 N ATOM 520 CA CYS A 35 10.000 -10.349 -3.171 1.00 10.35 C ATOM 521 C CYS A 35 8.925 -11.447 -3.229 1.00 33.02 C ATOM 522 O CYS A 35 9.175 -12.554 -3.711 1.00 74.31 O ATOM 523 CB CYS A 35 10.790 -10.475 -1.862 1.00 5.51 C ATOM 524 SG CYS A 35 11.568 -12.088 -1.617 1.00 51.43 S ATOM 0 H CYS A 35 9.584 -8.405 -2.476 1.00 55.24 H new ATOM 0 HA CYS A 35 10.666 -10.489 -4.022 1.00 10.35 H new ATOM 0 HB2 CYS A 35 11.562 -9.705 -1.841 1.00 5.51 H new ATOM 0 HB3 CYS A 35 10.119 -10.277 -1.026 1.00 5.51 H new ATOM 0 HG CYS A 35 10.957 -12.979 -2.340 1.00 51.43 H new ATOM 530 N MET A 36 7.728 -11.146 -2.721 1.00 11.51 N ATOM 531 CA MET A 36 6.611 -12.107 -2.753 1.00 22.40 C ATOM 532 C MET A 36 5.699 -11.888 -3.975 1.00 52.00 C ATOM 533 O MET A 36 4.697 -12.580 -4.140 1.00 12.24 O ATOM 534 CB MET A 36 5.785 -12.019 -1.461 1.00 44.32 C ATOM 535 CG MET A 36 5.116 -10.668 -1.241 1.00 20.11 C ATOM 536 SD MET A 36 4.135 -10.607 0.272 1.00 72.52 S ATOM 537 CE MET A 36 2.896 -11.862 -0.063 1.00 63.01 C ATOM 0 H MET A 36 7.503 -10.252 -2.284 1.00 11.51 H new ATOM 0 HA MET A 36 7.046 -13.103 -2.834 1.00 22.40 H new ATOM 0 HB2 MET A 36 5.018 -12.793 -1.479 1.00 44.32 H new ATOM 0 HB3 MET A 36 6.434 -12.233 -0.612 1.00 44.32 H new ATOM 0 HG2 MET A 36 5.880 -9.892 -1.204 1.00 20.11 H new ATOM 0 HG3 MET A 36 4.475 -10.443 -2.093 1.00 20.11 H new ATOM 0 HE1 MET A 36 1.965 -11.596 0.437 1.00 63.01 H new ATOM 0 HE2 MET A 36 2.725 -11.927 -1.138 1.00 63.01 H new ATOM 0 HE3 MET A 36 3.245 -12.826 0.308 1.00 63.01 H new ATOM 547 N GLY A 37 6.047 -10.911 -4.815 1.00 54.24 N ATOM 548 CA GLY A 37 5.277 -10.641 -6.032 1.00 23.32 C ATOM 549 C GLY A 37 3.864 -10.117 -5.773 1.00 51.23 C ATOM 550 O GLY A 37 3.000 -10.182 -6.648 1.00 61.33 O ATOM 0 H GLY A 37 6.850 -10.298 -4.677 1.00 54.24 H new ATOM 0 HA2 GLY A 37 5.818 -9.913 -6.637 1.00 23.32 H new ATOM 0 HA3 GLY A 37 5.211 -11.557 -6.618 1.00 23.32 H new ATOM 554 N ALA A 38 3.634 -9.551 -4.589 1.00 64.33 N ATOM 555 CA ALA A 38 2.297 -9.078 -4.192 1.00 32.54 C ATOM 556 C ALA A 38 1.889 -7.768 -4.899 1.00 54.30 C ATOM 557 O ALA A 38 0.960 -7.086 -4.469 1.00 75.05 O ATOM 558 CB ALA A 38 2.237 -8.903 -2.678 1.00 64.01 C ATOM 0 H ALA A 38 4.355 -9.406 -3.882 1.00 64.33 H new ATOM 0 HA ALA A 38 1.582 -9.838 -4.506 1.00 32.54 H new ATOM 0 HB1 ALA A 38 1.245 -8.553 -2.391 1.00 64.01 H new ATOM 0 HB2 ALA A 38 2.439 -9.858 -2.193 1.00 64.01 H new ATOM 0 HB3 ALA A 38 2.984 -8.173 -2.366 1.00 64.01 H new ATOM 564 N GLN A 39 2.564 -7.436 -5.997 1.00 31.25 N ATOM 565 CA GLN A 39 2.250 -6.228 -6.769 1.00 61.02 C ATOM 566 C GLN A 39 0.802 -6.252 -7.292 1.00 63.04 C ATOM 567 O GLN A 39 0.150 -5.213 -7.396 1.00 25.42 O ATOM 568 CB GLN A 39 3.224 -6.087 -7.948 1.00 33.12 C ATOM 569 CG GLN A 39 4.673 -5.831 -7.537 1.00 33.14 C ATOM 570 CD GLN A 39 4.866 -4.478 -6.869 1.00 31.31 C ATOM 571 OE1 GLN A 39 5.119 -3.476 -7.528 1.00 72.22 O ATOM 572 NE2 GLN A 39 4.751 -4.438 -5.559 1.00 10.32 N ATOM 0 H GLN A 39 3.335 -7.986 -6.376 1.00 31.25 H new ATOM 0 HA GLN A 39 2.356 -5.372 -6.103 1.00 61.02 H new ATOM 0 HB2 GLN A 39 3.184 -6.996 -8.548 1.00 33.12 H new ATOM 0 HB3 GLN A 39 2.889 -5.269 -8.585 1.00 33.12 H new ATOM 0 HG2 GLN A 39 4.997 -6.617 -6.855 1.00 33.14 H new ATOM 0 HG3 GLN A 39 5.312 -5.890 -8.418 1.00 33.14 H new ATOM 0 HE21 GLN A 39 4.540 -5.290 -5.039 1.00 10.32 H new ATOM 0 HE22 GLN A 39 4.873 -3.555 -5.063 1.00 10.32 H new ATOM 581 N ASN A 40 0.304 -7.450 -7.593 1.00 72.43 N ATOM 582 CA ASN A 40 -1.033 -7.620 -8.183 1.00 62.33 C ATOM 583 C ASN A 40 -2.110 -7.841 -7.106 1.00 73.14 C ATOM 584 O ASN A 40 -3.264 -8.147 -7.420 1.00 21.32 O ATOM 585 CB ASN A 40 -1.022 -8.807 -9.154 1.00 33.45 C ATOM 586 CG ASN A 40 0.141 -8.746 -10.124 1.00 72.24 C ATOM 587 OD1 ASN A 40 0.048 -8.151 -11.193 1.00 50.43 O ATOM 588 ND2 ASN A 40 1.251 -9.361 -9.760 1.00 11.53 N ATOM 0 H ASN A 40 0.805 -8.325 -7.439 1.00 72.43 H new ATOM 0 HA ASN A 40 -1.280 -6.703 -8.718 1.00 62.33 H new ATOM 0 HB2 ASN A 40 -0.971 -9.737 -8.587 1.00 33.45 H new ATOM 0 HB3 ASN A 40 -1.958 -8.825 -9.713 1.00 33.45 H new ATOM 0 HD21 ASN A 40 2.065 -9.351 -10.375 1.00 11.53 H new ATOM 0 HD22 ASN A 40 1.295 -9.847 -8.864 1.00 11.53 H new ATOM 595 N GLU A 41 -1.737 -7.678 -5.839 1.00 33.42 N ATOM 596 CA GLU A 41 -2.666 -7.898 -4.729 1.00 33.44 C ATOM 597 C GLU A 41 -3.146 -6.565 -4.132 1.00 54.42 C ATOM 598 O GLU A 41 -2.394 -5.591 -4.070 1.00 42.34 O ATOM 599 CB GLU A 41 -1.998 -8.775 -3.658 1.00 53.25 C ATOM 600 CG GLU A 41 -2.936 -9.210 -2.539 1.00 41.23 C ATOM 601 CD GLU A 41 -2.355 -10.328 -1.685 1.00 14.41 C ATOM 602 OE1 GLU A 41 -1.601 -10.036 -0.738 1.00 54.00 O ATOM 603 OE2 GLU A 41 -2.650 -11.512 -1.967 1.00 74.23 O ATOM 0 H GLU A 41 -0.800 -7.395 -5.554 1.00 33.42 H new ATOM 0 HA GLU A 41 -3.546 -8.417 -5.109 1.00 33.44 H new ATOM 0 HB2 GLU A 41 -1.584 -9.663 -4.136 1.00 53.25 H new ATOM 0 HB3 GLU A 41 -1.161 -8.227 -3.224 1.00 53.25 H new ATOM 0 HG2 GLU A 41 -3.159 -8.353 -1.904 1.00 41.23 H new ATOM 0 HG3 GLU A 41 -3.880 -9.542 -2.971 1.00 41.23 H new ATOM 610 N SER A 42 -4.416 -6.522 -3.726 1.00 72.52 N ATOM 611 CA SER A 42 -5.014 -5.304 -3.158 1.00 32.02 C ATOM 612 C SER A 42 -4.376 -4.923 -1.813 1.00 44.01 C ATOM 613 O SER A 42 -3.942 -5.789 -1.049 1.00 1.43 O ATOM 614 CB SER A 42 -6.528 -5.482 -2.971 1.00 42.21 C ATOM 615 OG SER A 42 -7.167 -5.795 -4.199 1.00 23.25 O ATOM 0 H SER A 42 -5.054 -7.316 -3.778 1.00 72.52 H new ATOM 0 HA SER A 42 -4.824 -4.497 -3.866 1.00 32.02 H new ATOM 0 HB2 SER A 42 -6.716 -6.276 -2.248 1.00 42.21 H new ATOM 0 HB3 SER A 42 -6.955 -4.568 -2.559 1.00 42.21 H new ATOM 0 HG SER A 42 -7.548 -4.980 -4.587 1.00 23.25 H new ATOM 621 N LEU A 43 -4.367 -3.621 -1.519 1.00 34.32 N ATOM 622 CA LEU A 43 -3.718 -3.086 -0.311 1.00 24.11 C ATOM 623 C LEU A 43 -4.148 -3.815 0.979 1.00 53.00 C ATOM 624 O LEU A 43 -3.300 -4.219 1.778 1.00 43.40 O ATOM 625 CB LEU A 43 -4.007 -1.583 -0.180 1.00 73.42 C ATOM 626 CG LEU A 43 -3.441 -0.703 -1.309 1.00 11.11 C ATOM 627 CD1 LEU A 43 -3.849 0.755 -1.121 1.00 1.32 C ATOM 628 CD2 LEU A 43 -1.921 -0.826 -1.383 1.00 12.54 C ATOM 0 H LEU A 43 -4.805 -2.909 -2.104 1.00 34.32 H new ATOM 0 HA LEU A 43 -2.648 -3.254 -0.430 1.00 24.11 H new ATOM 0 HB2 LEU A 43 -5.087 -1.440 -0.137 1.00 73.42 H new ATOM 0 HB3 LEU A 43 -3.601 -1.233 0.769 1.00 73.42 H new ATOM 0 HG LEU A 43 -3.861 -1.057 -2.251 1.00 11.11 H new ATOM 0 HD11 LEU A 43 -3.436 1.356 -1.932 1.00 1.32 H new ATOM 0 HD12 LEU A 43 -4.936 0.832 -1.129 1.00 1.32 H new ATOM 0 HD13 LEU A 43 -3.466 1.120 -0.168 1.00 1.32 H new ATOM 0 HD21 LEU A 43 -1.544 -0.195 -2.188 1.00 12.54 H new ATOM 0 HD22 LEU A 43 -1.484 -0.507 -0.437 1.00 12.54 H new ATOM 0 HD23 LEU A 43 -1.649 -1.864 -1.577 1.00 12.54 H new ATOM 640 N GLU A 44 -5.458 -3.989 1.182 1.00 14.33 N ATOM 641 CA GLU A 44 -5.961 -4.620 2.415 1.00 14.31 C ATOM 642 C GLU A 44 -5.451 -6.061 2.571 1.00 30.24 C ATOM 643 O GLU A 44 -5.082 -6.478 3.669 1.00 34.23 O ATOM 644 CB GLU A 44 -7.500 -4.588 2.467 1.00 0.03 C ATOM 645 CG GLU A 44 -8.083 -5.187 3.750 1.00 2.23 C ATOM 646 CD GLU A 44 -9.572 -4.910 3.923 1.00 12.14 C ATOM 647 OE1 GLU A 44 -10.395 -5.684 3.399 1.00 41.40 O ATOM 648 OE2 GLU A 44 -9.925 -3.910 4.586 1.00 12.31 O ATOM 0 H GLU A 44 -6.183 -3.708 0.522 1.00 14.33 H new ATOM 0 HA GLU A 44 -5.573 -4.038 3.251 1.00 14.31 H new ATOM 0 HB2 GLU A 44 -7.837 -3.556 2.372 1.00 0.03 H new ATOM 0 HB3 GLU A 44 -7.896 -5.132 1.609 1.00 0.03 H new ATOM 0 HG2 GLU A 44 -7.919 -6.265 3.747 1.00 2.23 H new ATOM 0 HG3 GLU A 44 -7.544 -4.785 4.608 1.00 2.23 H new ATOM 655 N GLN A 45 -5.401 -6.804 1.468 1.00 13.52 N ATOM 656 CA GLN A 45 -4.942 -8.201 1.499 1.00 43.42 C ATOM 657 C GLN A 45 -3.471 -8.300 1.947 1.00 43.52 C ATOM 658 O GLN A 45 -3.151 -9.027 2.890 1.00 13.54 O ATOM 659 CB GLN A 45 -5.122 -8.860 0.123 1.00 51.25 C ATOM 660 CG GLN A 45 -6.576 -8.988 -0.328 1.00 41.33 C ATOM 661 CD GLN A 45 -6.722 -9.720 -1.655 1.00 51.21 C ATOM 662 OE1 GLN A 45 -6.829 -10.940 -1.697 1.00 60.33 O ATOM 663 NE2 GLN A 45 -6.745 -8.982 -2.749 1.00 53.34 N ATOM 0 H GLN A 45 -5.670 -6.469 0.543 1.00 13.52 H new ATOM 0 HA GLN A 45 -5.554 -8.733 2.228 1.00 43.42 H new ATOM 0 HB2 GLN A 45 -4.574 -8.280 -0.619 1.00 51.25 H new ATOM 0 HB3 GLN A 45 -4.673 -9.853 0.147 1.00 51.25 H new ATOM 0 HG2 GLN A 45 -7.143 -9.517 0.438 1.00 41.33 H new ATOM 0 HG3 GLN A 45 -7.012 -7.993 -0.418 1.00 41.33 H new ATOM 0 HE21 GLN A 45 -6.654 -7.968 -2.682 1.00 53.34 H new ATOM 0 HE22 GLN A 45 -6.854 -9.425 -3.661 1.00 53.34 H new ATOM 672 N GLY A 46 -2.589 -7.551 1.279 1.00 22.42 N ATOM 673 CA GLY A 46 -1.175 -7.525 1.658 1.00 1.25 C ATOM 674 C GLY A 46 -0.953 -7.010 3.080 1.00 4.53 C ATOM 675 O GLY A 46 -0.087 -7.511 3.809 1.00 43.24 O ATOM 0 H GLY A 46 -2.826 -6.961 0.482 1.00 22.42 H new ATOM 0 HA2 GLY A 46 -0.762 -8.530 1.572 1.00 1.25 H new ATOM 0 HA3 GLY A 46 -0.627 -6.894 0.958 1.00 1.25 H new ATOM 679 N ALA A 47 -1.737 -6.007 3.477 1.00 2.44 N ATOM 680 CA ALA A 47 -1.695 -5.487 4.848 1.00 42.04 C ATOM 681 C ALA A 47 -2.023 -6.594 5.859 1.00 74.43 C ATOM 682 O ALA A 47 -1.292 -6.805 6.831 1.00 34.02 O ATOM 683 CB ALA A 47 -2.666 -4.321 5.002 1.00 72.32 C ATOM 0 H ALA A 47 -2.409 -5.537 2.870 1.00 2.44 H new ATOM 0 HA ALA A 47 -0.685 -5.129 5.049 1.00 42.04 H new ATOM 0 HB1 ALA A 47 -2.624 -3.945 6.024 1.00 72.32 H new ATOM 0 HB2 ALA A 47 -2.390 -3.524 4.311 1.00 72.32 H new ATOM 0 HB3 ALA A 47 -3.678 -4.659 4.781 1.00 72.32 H new ATOM 689 N ASN A 48 -3.116 -7.316 5.608 1.00 34.54 N ATOM 690 CA ASN A 48 -3.519 -8.441 6.462 1.00 23.33 C ATOM 691 C ASN A 48 -2.442 -9.537 6.485 1.00 14.31 C ATOM 692 O ASN A 48 -2.200 -10.161 7.521 1.00 72.12 O ATOM 693 CB ASN A 48 -4.857 -9.024 5.985 1.00 23.15 C ATOM 694 CG ASN A 48 -6.046 -8.126 6.297 1.00 12.32 C ATOM 695 OD1 ASN A 48 -7.154 -8.604 6.503 1.00 22.34 O ATOM 696 ND2 ASN A 48 -5.835 -6.824 6.334 1.00 20.11 N ATOM 0 H ASN A 48 -3.740 -7.144 4.820 1.00 34.54 H new ATOM 0 HA ASN A 48 -3.639 -8.063 7.477 1.00 23.33 H new ATOM 0 HB2 ASN A 48 -4.810 -9.193 4.909 1.00 23.15 H new ATOM 0 HB3 ASN A 48 -5.011 -9.996 6.454 1.00 23.15 H new ATOM 0 HD21 ASN A 48 -6.606 -6.188 6.538 1.00 20.11 H new ATOM 0 HD22 ASN A 48 -4.901 -6.454 6.158 1.00 20.11 H new ATOM 703 N ALA A 49 -1.789 -9.752 5.342 1.00 64.41 N ATOM 704 CA ALA A 49 -0.693 -10.724 5.238 1.00 45.14 C ATOM 705 C ALA A 49 0.448 -10.397 6.218 1.00 13.40 C ATOM 706 O ALA A 49 1.143 -11.293 6.694 1.00 2.13 O ATOM 707 CB ALA A 49 -0.170 -10.777 3.803 1.00 33.43 C ATOM 0 H ALA A 49 -1.999 -9.265 4.471 1.00 64.41 H new ATOM 0 HA ALA A 49 -1.087 -11.704 5.508 1.00 45.14 H new ATOM 0 HB1 ALA A 49 0.642 -11.501 3.738 1.00 33.43 H new ATOM 0 HB2 ALA A 49 -0.976 -11.075 3.133 1.00 33.43 H new ATOM 0 HB3 ALA A 49 0.197 -9.793 3.513 1.00 33.43 H new ATOM 713 N HIS A 50 0.642 -9.107 6.508 1.00 3.11 N ATOM 714 CA HIS A 50 1.635 -8.672 7.509 1.00 50.41 C ATOM 715 C HIS A 50 0.979 -8.335 8.862 1.00 65.23 C ATOM 716 O HIS A 50 1.641 -7.850 9.780 1.00 20.30 O ATOM 717 CB HIS A 50 2.420 -7.456 6.993 1.00 52.25 C ATOM 718 CG HIS A 50 3.360 -7.780 5.868 1.00 41.41 C ATOM 719 ND1 HIS A 50 4.731 -7.670 5.976 1.00 54.41 N ATOM 720 CD2 HIS A 50 3.122 -8.202 4.603 1.00 3.33 C ATOM 721 CE1 HIS A 50 5.290 -8.010 4.834 1.00 20.44 C ATOM 722 NE2 HIS A 50 4.339 -8.338 3.982 1.00 70.20 N ATOM 0 H HIS A 50 0.129 -8.343 6.068 1.00 3.11 H new ATOM 0 HA HIS A 50 2.320 -9.505 7.668 1.00 50.41 H new ATOM 0 HB2 HIS A 50 1.715 -6.695 6.659 1.00 52.25 H new ATOM 0 HB3 HIS A 50 2.988 -7.025 7.817 1.00 52.25 H new ATOM 0 HD2 HIS A 50 2.154 -8.396 4.164 1.00 3.33 H new ATOM 0 HE1 HIS A 50 6.350 -8.019 4.629 1.00 20.44 H new ATOM 0 HE2 HIS A 50 4.484 -8.643 3.019 1.00 70.20 H new ATOM 731 N GLY A 51 -0.321 -8.601 8.977 1.00 53.24 N ATOM 732 CA GLY A 51 -1.047 -8.347 10.219 1.00 32.05 C ATOM 733 C GLY A 51 -1.179 -6.865 10.554 1.00 23.22 C ATOM 734 O GLY A 51 -1.026 -6.466 11.709 1.00 72.40 O ATOM 0 H GLY A 51 -0.892 -8.991 8.227 1.00 53.24 H new ATOM 0 HA2 GLY A 51 -2.042 -8.785 10.145 1.00 32.05 H new ATOM 0 HA3 GLY A 51 -0.537 -8.853 11.039 1.00 32.05 H new ATOM 738 N LEU A 52 -1.465 -6.049 9.544 1.00 1.05 N ATOM 739 CA LEU A 52 -1.601 -4.594 9.725 1.00 5.55 C ATOM 740 C LEU A 52 -2.975 -4.101 9.257 1.00 72.00 C ATOM 741 O LEU A 52 -3.561 -4.656 8.321 1.00 32.42 O ATOM 742 CB LEU A 52 -0.502 -3.858 8.944 1.00 54.44 C ATOM 743 CG LEU A 52 0.941 -4.192 9.359 1.00 15.21 C ATOM 744 CD1 LEU A 52 1.943 -3.493 8.444 1.00 32.34 C ATOM 745 CD2 LEU A 52 1.186 -3.814 10.820 1.00 22.33 C ATOM 0 H LEU A 52 -1.609 -6.365 8.585 1.00 1.05 H new ATOM 0 HA LEU A 52 -1.500 -4.381 10.789 1.00 5.55 H new ATOM 0 HB2 LEU A 52 -0.619 -4.086 7.884 1.00 54.44 H new ATOM 0 HB3 LEU A 52 -0.656 -2.785 9.058 1.00 54.44 H new ATOM 0 HG LEU A 52 1.083 -5.268 9.258 1.00 15.21 H new ATOM 0 HD11 LEU A 52 2.957 -3.743 8.756 1.00 32.34 H new ATOM 0 HD12 LEU A 52 1.788 -3.822 7.416 1.00 32.34 H new ATOM 0 HD13 LEU A 52 1.801 -2.414 8.505 1.00 32.34 H new ATOM 0 HD21 LEU A 52 2.213 -4.059 11.092 1.00 22.33 H new ATOM 0 HD22 LEU A 52 1.021 -2.745 10.952 1.00 22.33 H new ATOM 0 HD23 LEU A 52 0.499 -4.369 11.459 1.00 22.33 H new ATOM 757 N ASN A 53 -3.486 -3.055 9.906 1.00 31.42 N ATOM 758 CA ASN A 53 -4.764 -2.454 9.518 1.00 3.14 C ATOM 759 C ASN A 53 -4.587 -1.502 8.327 1.00 74.15 C ATOM 760 O ASN A 53 -3.935 -0.461 8.433 1.00 0.21 O ATOM 761 CB ASN A 53 -5.395 -1.708 10.702 1.00 22.33 C ATOM 762 CG ASN A 53 -6.726 -1.073 10.335 1.00 51.01 C ATOM 763 OD1 ASN A 53 -7.419 -1.539 9.438 1.00 34.25 O ATOM 764 ND2 ASN A 53 -7.099 -0.012 11.020 1.00 54.34 N ATOM 0 H ASN A 53 -3.035 -2.605 10.703 1.00 31.42 H new ATOM 0 HA ASN A 53 -5.433 -3.260 9.216 1.00 3.14 H new ATOM 0 HB2 ASN A 53 -5.541 -2.401 11.530 1.00 22.33 H new ATOM 0 HB3 ASN A 53 -4.709 -0.936 11.050 1.00 22.33 H new ATOM 0 HD21 ASN A 53 -7.986 0.445 10.809 1.00 54.34 H new ATOM 0 HD22 ASN A 53 -6.501 0.353 11.761 1.00 54.34 H new ATOM 771 N VAL A 54 -5.199 -1.860 7.200 1.00 22.41 N ATOM 772 CA VAL A 54 -5.076 -1.082 5.964 1.00 11.12 C ATOM 773 C VAL A 54 -5.530 0.379 6.147 1.00 42.43 C ATOM 774 O VAL A 54 -5.033 1.276 5.471 1.00 5.04 O ATOM 775 CB VAL A 54 -5.890 -1.732 4.813 1.00 23.43 C ATOM 776 CG1 VAL A 54 -7.388 -1.706 5.120 1.00 60.45 C ATOM 777 CG2 VAL A 54 -5.591 -1.051 3.475 1.00 54.42 C ATOM 0 H VAL A 54 -5.789 -2.688 7.115 1.00 22.41 H new ATOM 0 HA VAL A 54 -4.017 -1.080 5.705 1.00 11.12 H new ATOM 0 HB VAL A 54 -5.582 -2.775 4.732 1.00 23.43 H new ATOM 0 HG11 VAL A 54 -7.936 -2.167 4.298 1.00 60.45 H new ATOM 0 HG12 VAL A 54 -7.581 -2.258 6.040 1.00 60.45 H new ATOM 0 HG13 VAL A 54 -7.717 -0.674 5.241 1.00 60.45 H new ATOM 0 HG21 VAL A 54 -6.175 -1.526 2.686 1.00 54.42 H new ATOM 0 HG22 VAL A 54 -5.856 0.004 3.537 1.00 54.42 H new ATOM 0 HG23 VAL A 54 -4.529 -1.146 3.248 1.00 54.42 H new ATOM 787 N GLU A 55 -6.461 0.612 7.074 1.00 50.03 N ATOM 788 CA GLU A 55 -7.018 1.956 7.304 1.00 14.11 C ATOM 789 C GLU A 55 -5.936 2.977 7.700 1.00 63.20 C ATOM 790 O GLU A 55 -5.946 4.122 7.240 1.00 54.42 O ATOM 791 CB GLU A 55 -8.095 1.905 8.395 1.00 22.21 C ATOM 792 CG GLU A 55 -9.207 0.899 8.121 1.00 22.31 C ATOM 793 CD GLU A 55 -10.296 0.928 9.182 1.00 62.43 C ATOM 794 OE1 GLU A 55 -9.972 0.763 10.379 1.00 73.23 O ATOM 795 OE2 GLU A 55 -11.477 1.134 8.827 1.00 34.11 O ATOM 0 H GLU A 55 -6.849 -0.110 7.681 1.00 50.03 H new ATOM 0 HA GLU A 55 -7.457 2.284 6.362 1.00 14.11 H new ATOM 0 HB2 GLU A 55 -7.623 1.659 9.346 1.00 22.21 H new ATOM 0 HB3 GLU A 55 -8.535 2.896 8.504 1.00 22.21 H new ATOM 0 HG2 GLU A 55 -9.649 1.108 7.147 1.00 22.31 H new ATOM 0 HG3 GLU A 55 -8.781 -0.103 8.070 1.00 22.31 H new ATOM 802 N ASP A 56 -5.007 2.564 8.561 1.00 2.21 N ATOM 803 CA ASP A 56 -3.929 3.453 9.001 1.00 4.34 C ATOM 804 C ASP A 56 -2.940 3.715 7.855 1.00 72.45 C ATOM 805 O ASP A 56 -2.365 4.799 7.746 1.00 4.31 O ATOM 806 CB ASP A 56 -3.206 2.860 10.218 1.00 61.11 C ATOM 807 CG ASP A 56 -2.257 3.857 10.866 1.00 73.15 C ATOM 808 OD1 ASP A 56 -2.704 4.976 11.201 1.00 22.25 O ATOM 809 OD2 ASP A 56 -1.063 3.542 11.031 1.00 52.02 O ATOM 0 H ASP A 56 -4.977 1.628 8.966 1.00 2.21 H new ATOM 0 HA ASP A 56 -4.368 4.406 9.295 1.00 4.34 H new ATOM 0 HB2 ASP A 56 -3.943 2.533 10.952 1.00 61.11 H new ATOM 0 HB3 ASP A 56 -2.647 1.976 9.911 1.00 61.11 H new ATOM 814 N ILE A 57 -2.769 2.718 6.991 1.00 12.34 N ATOM 815 CA ILE A 57 -1.927 2.855 5.800 1.00 3.53 C ATOM 816 C ILE A 57 -2.568 3.825 4.793 1.00 24.44 C ATOM 817 O ILE A 57 -1.916 4.745 4.299 1.00 41.52 O ATOM 818 CB ILE A 57 -1.695 1.482 5.121 1.00 53.14 C ATOM 819 CG1 ILE A 57 -1.149 0.468 6.142 1.00 23.45 C ATOM 820 CG2 ILE A 57 -0.743 1.618 3.931 1.00 13.54 C ATOM 821 CD1 ILE A 57 -1.029 -0.941 5.600 1.00 73.35 C ATOM 0 H ILE A 57 -3.204 1.801 7.092 1.00 12.34 H new ATOM 0 HA ILE A 57 -0.965 3.254 6.120 1.00 3.53 H new ATOM 0 HB ILE A 57 -2.651 1.116 4.747 1.00 53.14 H new ATOM 0 HG12 ILE A 57 -0.168 0.801 6.482 1.00 23.45 H new ATOM 0 HG13 ILE A 57 -1.802 0.457 7.014 1.00 23.45 H new ATOM 0 HG21 ILE A 57 -0.595 0.641 3.470 1.00 13.54 H new ATOM 0 HG22 ILE A 57 -1.171 2.304 3.199 1.00 13.54 H new ATOM 0 HG23 ILE A 57 0.216 2.006 4.275 1.00 13.54 H new ATOM 0 HD11 ILE A 57 -0.638 -1.598 6.377 1.00 73.35 H new ATOM 0 HD12 ILE A 57 -2.011 -1.295 5.286 1.00 73.35 H new ATOM 0 HD13 ILE A 57 -0.352 -0.946 4.746 1.00 73.35 H new ATOM 833 N LEU A 58 -3.856 3.618 4.508 1.00 54.33 N ATOM 834 CA LEU A 58 -4.608 4.490 3.591 1.00 25.23 C ATOM 835 C LEU A 58 -4.536 5.958 4.031 1.00 71.43 C ATOM 836 O LEU A 58 -4.415 6.856 3.198 1.00 13.03 O ATOM 837 CB LEU A 58 -6.075 4.042 3.497 1.00 11.24 C ATOM 838 CG LEU A 58 -6.300 2.638 2.910 1.00 3.32 C ATOM 839 CD1 LEU A 58 -7.788 2.295 2.879 1.00 11.13 C ATOM 840 CD2 LEU A 58 -5.689 2.530 1.510 1.00 63.03 C ATOM 0 H LEU A 58 -4.405 2.852 4.899 1.00 54.33 H new ATOM 0 HA LEU A 58 -4.148 4.405 2.607 1.00 25.23 H new ATOM 0 HB2 LEU A 58 -6.512 4.074 4.495 1.00 11.24 H new ATOM 0 HB3 LEU A 58 -6.619 4.764 2.888 1.00 11.24 H new ATOM 0 HG LEU A 58 -5.799 1.917 3.556 1.00 3.32 H new ATOM 0 HD11 LEU A 58 -7.923 1.298 2.460 1.00 11.13 H new ATOM 0 HD12 LEU A 58 -8.188 2.320 3.893 1.00 11.13 H new ATOM 0 HD13 LEU A 58 -8.316 3.022 2.262 1.00 11.13 H new ATOM 0 HD21 LEU A 58 -5.860 1.529 1.115 1.00 63.03 H new ATOM 0 HD22 LEU A 58 -6.154 3.264 0.852 1.00 63.03 H new ATOM 0 HD23 LEU A 58 -4.617 2.720 1.565 1.00 63.03 H new ATOM 852 N ARG A 59 -4.616 6.194 5.341 1.00 4.14 N ATOM 853 CA ARG A 59 -4.434 7.537 5.906 1.00 1.02 C ATOM 854 C ARG A 59 -3.124 8.174 5.410 1.00 32.12 C ATOM 855 O ARG A 59 -3.119 9.281 4.869 1.00 11.03 O ATOM 856 CB ARG A 59 -4.414 7.461 7.443 1.00 52.40 C ATOM 857 CG ARG A 59 -3.982 8.764 8.124 1.00 41.10 C ATOM 858 CD ARG A 59 -3.612 8.551 9.589 1.00 24.30 C ATOM 859 NE ARG A 59 -2.669 7.444 9.754 1.00 51.24 N ATOM 860 CZ ARG A 59 -1.419 7.462 9.367 1.00 44.13 C ATOM 861 NH1 ARG A 59 -0.878 8.537 8.889 1.00 12.14 N ATOM 862 NH2 ARG A 59 -0.704 6.398 9.495 1.00 40.53 N ATOM 0 H ARG A 59 -4.806 5.471 6.035 1.00 4.14 H new ATOM 0 HA ARG A 59 -5.268 8.157 5.577 1.00 1.02 H new ATOM 0 HB2 ARG A 59 -5.409 7.190 7.796 1.00 52.40 H new ATOM 0 HB3 ARG A 59 -3.739 6.662 7.749 1.00 52.40 H new ATOM 0 HG2 ARG A 59 -3.128 9.185 7.592 1.00 41.10 H new ATOM 0 HG3 ARG A 59 -4.790 9.493 8.057 1.00 41.10 H new ATOM 0 HD2 ARG A 59 -3.174 9.465 9.990 1.00 24.30 H new ATOM 0 HD3 ARG A 59 -4.514 8.350 10.167 1.00 24.30 H new ATOM 0 HE ARG A 59 -3.012 6.595 10.204 1.00 51.24 H new ATOM 0 HH11 ARG A 59 -1.428 9.392 8.808 1.00 12.14 H new ATOM 0 HH12 ARG A 59 0.098 8.529 8.593 1.00 12.14 H new ATOM 0 HH21 ARG A 59 -1.113 5.553 9.894 1.00 40.53 H new ATOM 0 HH22 ARG A 59 0.271 6.400 9.197 1.00 40.53 H new ATOM 876 N ASP A 60 -2.022 7.450 5.587 1.00 35.23 N ATOM 877 CA ASP A 60 -0.693 7.957 5.240 1.00 71.30 C ATOM 878 C ASP A 60 -0.530 8.071 3.709 1.00 64.12 C ATOM 879 O ASP A 60 0.160 8.963 3.210 1.00 51.21 O ATOM 880 CB ASP A 60 0.379 7.038 5.850 1.00 35.22 C ATOM 881 CG ASP A 60 1.603 7.804 6.320 1.00 42.14 C ATOM 882 OD1 ASP A 60 1.524 8.445 7.392 1.00 41.41 O ATOM 883 OD2 ASP A 60 2.646 7.773 5.634 1.00 25.31 O ATOM 0 H ASP A 60 -2.021 6.505 5.971 1.00 35.23 H new ATOM 0 HA ASP A 60 -0.572 8.959 5.652 1.00 71.30 H new ATOM 0 HB2 ASP A 60 -0.050 6.493 6.691 1.00 35.22 H new ATOM 0 HB3 ASP A 60 0.681 6.296 5.110 1.00 35.22 H new ATOM 888 N LEU A 61 -1.186 7.172 2.970 1.00 53.44 N ATOM 889 CA LEU A 61 -1.157 7.195 1.499 1.00 51.33 C ATOM 890 C LEU A 61 -1.917 8.405 0.928 1.00 35.33 C ATOM 891 O LEU A 61 -1.385 9.153 0.111 1.00 0.14 O ATOM 892 CB LEU A 61 -1.759 5.902 0.930 1.00 0.15 C ATOM 893 CG LEU A 61 -1.002 4.609 1.274 1.00 43.00 C ATOM 894 CD1 LEU A 61 -1.695 3.395 0.659 1.00 35.04 C ATOM 895 CD2 LEU A 61 0.448 4.697 0.807 1.00 52.24 C ATOM 0 H LEU A 61 -1.746 6.416 3.364 1.00 53.44 H new ATOM 0 HA LEU A 61 -0.112 7.277 1.201 1.00 51.33 H new ATOM 0 HB2 LEU A 61 -2.783 5.809 1.292 1.00 0.15 H new ATOM 0 HB3 LEU A 61 -1.811 5.993 -0.155 1.00 0.15 H new ATOM 0 HG LEU A 61 -1.007 4.488 2.357 1.00 43.00 H new ATOM 0 HD11 LEU A 61 -1.142 2.492 0.916 1.00 35.04 H new ATOM 0 HD12 LEU A 61 -2.711 3.321 1.047 1.00 35.04 H new ATOM 0 HD13 LEU A 61 -1.728 3.505 -0.425 1.00 35.04 H new ATOM 0 HD21 LEU A 61 0.968 3.773 1.059 1.00 52.24 H new ATOM 0 HD22 LEU A 61 0.474 4.845 -0.273 1.00 52.24 H new ATOM 0 HD23 LEU A 61 0.939 5.536 1.300 1.00 52.24 H new ATOM 907 N ASN A 62 -3.166 8.590 1.359 1.00 61.35 N ATOM 908 CA ASN A 62 -3.979 9.724 0.897 1.00 75.11 C ATOM 909 C ASN A 62 -3.381 11.065 1.352 1.00 5.32 C ATOM 910 O ASN A 62 -3.619 12.102 0.731 1.00 73.05 O ATOM 911 CB ASN A 62 -5.436 9.592 1.366 1.00 31.51 C ATOM 912 CG ASN A 62 -6.192 8.511 0.607 1.00 20.11 C ATOM 913 OD1 ASN A 62 -6.732 8.754 -0.468 1.00 30.11 O ATOM 914 ND2 ASN A 62 -6.252 7.316 1.159 1.00 31.43 N ATOM 0 H ASN A 62 -3.637 7.975 2.023 1.00 61.35 H new ATOM 0 HA ASN A 62 -3.972 9.706 -0.193 1.00 75.11 H new ATOM 0 HB2 ASN A 62 -5.453 9.364 2.432 1.00 31.51 H new ATOM 0 HB3 ASN A 62 -5.945 10.547 1.236 1.00 31.51 H new ATOM 0 HD21 ASN A 62 -6.757 6.563 0.692 1.00 31.43 H new ATOM 0 HD22 ASN A 62 -5.793 7.144 2.054 1.00 31.43 H new ATOM 921 N ALA A 63 -2.607 11.040 2.437 1.00 45.43 N ATOM 922 CA ALA A 63 -1.874 12.228 2.889 1.00 71.41 C ATOM 923 C ALA A 63 -0.930 12.758 1.791 1.00 24.14 C ATOM 924 O ALA A 63 -0.648 13.959 1.730 1.00 73.33 O ATOM 925 CB ALA A 63 -1.088 11.916 4.158 1.00 43.10 C ATOM 0 H ALA A 63 -2.470 10.214 3.019 1.00 45.43 H new ATOM 0 HA ALA A 63 -2.604 13.007 3.107 1.00 71.41 H new ATOM 0 HB1 ALA A 63 -0.550 12.807 4.481 1.00 43.10 H new ATOM 0 HB2 ALA A 63 -1.775 11.603 4.944 1.00 43.10 H new ATOM 0 HB3 ALA A 63 -0.377 11.115 3.958 1.00 43.10 H new ATOM 931 N LEU A 64 -0.450 11.854 0.930 1.00 74.40 N ATOM 932 CA LEU A 64 0.391 12.229 -0.220 1.00 34.30 C ATOM 933 C LEU A 64 -0.424 12.974 -1.293 1.00 32.42 C ATOM 934 O LEU A 64 0.138 13.628 -2.172 1.00 14.54 O ATOM 935 CB LEU A 64 1.023 10.976 -0.848 1.00 53.45 C ATOM 936 CG LEU A 64 1.929 10.148 0.076 1.00 62.54 C ATOM 937 CD1 LEU A 64 2.373 8.861 -0.617 1.00 22.14 C ATOM 938 CD2 LEU A 64 3.142 10.963 0.517 1.00 23.23 C ATOM 0 H LEU A 64 -0.629 10.853 1.006 1.00 74.40 H new ATOM 0 HA LEU A 64 1.173 12.893 0.148 1.00 34.30 H new ATOM 0 HB2 LEU A 64 0.222 10.332 -1.212 1.00 53.45 H new ATOM 0 HB3 LEU A 64 1.606 11.283 -1.717 1.00 53.45 H new ATOM 0 HG LEU A 64 1.355 9.881 0.963 1.00 62.54 H new ATOM 0 HD11 LEU A 64 3.014 8.289 0.054 1.00 22.14 H new ATOM 0 HD12 LEU A 64 1.497 8.267 -0.877 1.00 22.14 H new ATOM 0 HD13 LEU A 64 2.926 9.108 -1.524 1.00 22.14 H new ATOM 0 HD21 LEU A 64 3.769 10.357 1.170 1.00 23.23 H new ATOM 0 HD22 LEU A 64 3.716 11.265 -0.359 1.00 23.23 H new ATOM 0 HD23 LEU A 64 2.808 11.850 1.055 1.00 23.23 H new ATOM 950 N ALA A 65 -1.749 12.848 -1.227 1.00 62.54 N ATOM 951 CA ALA A 65 -2.651 13.519 -2.170 1.00 33.01 C ATOM 952 C ALA A 65 -3.203 14.831 -1.586 1.00 14.22 C ATOM 953 O ALA A 65 -3.202 15.871 -2.252 1.00 13.24 O ATOM 954 CB ALA A 65 -3.795 12.582 -2.549 1.00 51.45 C ATOM 0 H ALA A 65 -2.227 12.283 -0.525 1.00 62.54 H new ATOM 0 HA ALA A 65 -2.081 13.771 -3.064 1.00 33.01 H new ATOM 0 HB1 ALA A 65 -4.461 13.086 -3.249 1.00 51.45 H new ATOM 0 HB2 ALA A 65 -3.390 11.684 -3.015 1.00 51.45 H new ATOM 0 HB3 ALA A 65 -4.351 12.306 -1.653 1.00 51.45 H new