USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 526 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 61 ASN : amide:sc= 1.86 K(o=3,f=-5.3!) USER MOD Set 1.2: A 64 THR OG1 : rot -49:sc= 1.1 USER MOD Set 2.1: A 9 TYR OH : rot -140:sc= 0.645 USER MOD Set 2.2: A 57 MET CE :methyl 146:sc= -0.0483 (180deg=-0.799) USER MOD Single : A 8 GLN : amide:sc= -0.477 X(o=-0.48,f=-0.31) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.789 K(o=-0.79,f=-4.6!) USER MOD Single : A 50 CYS SG : rot -5:sc= -0.45 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 53 SER OG : rot -25:sc= 0.0578 USER MOD Single : A 66 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.84) USER MOD Single : A 73 THR OG1 : rot -21:sc= 0.0594! USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 6 -1.190 -1.229 12.425 1.00 51.12 N ATOM 67 CA GLY A 6 -0.553 -0.817 11.175 1.00 45.22 C ATOM 68 C GLY A 6 -0.460 0.687 10.945 1.00 63.24 C ATOM 69 O GLY A 6 -0.596 1.492 11.867 1.00 40.01 O ATOM 0 HA2 GLY A 6 0.454 -1.233 11.147 1.00 45.22 H new ATOM 0 HA3 GLY A 6 -1.104 -1.260 10.345 1.00 45.22 H new ATOM 73 N PHE A 7 -0.210 1.050 9.685 1.00 63.11 N ATOM 74 CA PHE A 7 -0.021 2.447 9.276 1.00 12.33 C ATOM 75 C PHE A 7 -0.976 2.813 8.126 1.00 25.43 C ATOM 76 O PHE A 7 -1.758 1.976 7.665 1.00 64.25 O ATOM 77 CB PHE A 7 1.434 2.663 8.825 1.00 64.01 C ATOM 78 CG PHE A 7 2.466 2.206 9.831 1.00 23.01 C ATOM 79 CD1 PHE A 7 2.930 0.896 9.823 1.00 32.23 C ATOM 80 CD2 PHE A 7 2.968 3.080 10.783 1.00 1.31 C ATOM 81 CE1 PHE A 7 3.872 0.473 10.743 1.00 62.55 C ATOM 82 CE2 PHE A 7 3.910 2.661 11.705 1.00 15.14 C ATOM 83 CZ PHE A 7 4.362 1.356 11.684 1.00 33.15 C ATOM 0 H PHE A 7 -0.132 0.384 8.917 1.00 63.11 H new ATOM 0 HA PHE A 7 -0.241 3.089 10.129 1.00 12.33 H new ATOM 0 HB2 PHE A 7 1.595 2.131 7.888 1.00 64.01 H new ATOM 0 HB3 PHE A 7 1.586 3.723 8.620 1.00 64.01 H new ATOM 0 HD1 PHE A 7 2.550 0.200 9.090 1.00 32.23 H new ATOM 0 HD2 PHE A 7 2.619 4.102 10.805 1.00 1.31 H new ATOM 0 HE1 PHE A 7 4.224 -0.548 10.725 1.00 62.55 H new ATOM 0 HE2 PHE A 7 4.292 3.354 12.441 1.00 15.14 H new ATOM 0 HZ PHE A 7 5.098 1.027 12.403 1.00 33.15 H new ATOM 93 N GLN A 8 -0.909 4.061 7.659 1.00 74.33 N ATOM 94 CA GLN A 8 -1.738 4.505 6.528 1.00 50.24 C ATOM 95 C GLN A 8 -0.892 5.107 5.395 1.00 54.45 C ATOM 96 O GLN A 8 0.054 5.863 5.631 1.00 40.12 O ATOM 97 CB GLN A 8 -2.799 5.518 6.985 1.00 5.43 C ATOM 98 CG GLN A 8 -3.843 4.929 7.933 1.00 73.00 C ATOM 99 CD GLN A 8 -4.998 5.878 8.212 1.00 33.45 C ATOM 100 OE1 GLN A 8 -4.844 7.095 8.196 1.00 15.52 O ATOM 101 NE2 GLN A 8 -6.171 5.328 8.465 1.00 20.23 N ATOM 0 H GLN A 8 -0.295 4.781 8.041 1.00 74.33 H new ATOM 0 HA GLN A 8 -2.239 3.619 6.139 1.00 50.24 H new ATOM 0 HB2 GLN A 8 -2.302 6.353 7.479 1.00 5.43 H new ATOM 0 HB3 GLN A 8 -3.304 5.922 6.108 1.00 5.43 H new ATOM 0 HG2 GLN A 8 -4.234 4.006 7.505 1.00 73.00 H new ATOM 0 HG3 GLN A 8 -3.362 4.665 8.875 1.00 73.00 H new ATOM 0 HE21 GLN A 8 -6.267 4.313 8.471 1.00 20.23 H new ATOM 0 HE22 GLN A 8 -6.981 5.918 8.654 1.00 20.23 H new ATOM 110 N TYR A 9 -1.242 4.748 4.164 1.00 62.44 N ATOM 111 CA TYR A 9 -0.595 5.287 2.962 1.00 11.00 C ATOM 112 C TYR A 9 -1.628 6.004 2.077 1.00 34.44 C ATOM 113 O TYR A 9 -2.818 5.695 2.132 1.00 74.03 O ATOM 114 CB TYR A 9 0.074 4.158 2.162 1.00 52.11 C ATOM 115 CG TYR A 9 1.164 3.413 2.915 1.00 14.32 C ATOM 116 CD1 TYR A 9 0.847 2.430 3.850 1.00 15.32 C ATOM 117 CD2 TYR A 9 2.509 3.683 2.684 1.00 32.41 C ATOM 118 CE1 TYR A 9 1.836 1.742 4.528 1.00 44.42 C ATOM 119 CE2 TYR A 9 3.504 3.000 3.361 1.00 53.44 C ATOM 120 CZ TYR A 9 3.161 2.029 4.282 1.00 60.31 C ATOM 121 OH TYR A 9 4.146 1.339 4.955 1.00 2.24 O ATOM 0 H TYR A 9 -1.982 4.075 3.966 1.00 62.44 H new ATOM 0 HA TYR A 9 0.167 6.002 3.274 1.00 11.00 H new ATOM 0 HB2 TYR A 9 -0.691 3.445 1.855 1.00 52.11 H new ATOM 0 HB3 TYR A 9 0.501 4.579 1.252 1.00 52.11 H new ATOM 0 HD1 TYR A 9 -0.190 2.201 4.049 1.00 15.32 H new ATOM 0 HD2 TYR A 9 2.782 4.440 1.963 1.00 32.41 H new ATOM 0 HE1 TYR A 9 1.571 0.982 5.248 1.00 44.42 H new ATOM 0 HE2 TYR A 9 4.543 3.225 3.170 1.00 53.44 H new ATOM 0 HH TYR A 9 4.867 1.955 5.202 1.00 2.24 H new ATOM 131 N ARG A 10 -1.182 6.957 1.263 1.00 4.30 N ATOM 132 CA ARG A 10 -2.092 7.689 0.369 1.00 65.15 C ATOM 133 C ARG A 10 -1.660 7.571 -1.100 1.00 11.30 C ATOM 134 O ARG A 10 -0.544 7.948 -1.459 1.00 13.41 O ATOM 135 CB ARG A 10 -2.174 9.167 0.781 1.00 23.13 C ATOM 136 CG ARG A 10 -3.099 10.009 -0.100 1.00 72.22 C ATOM 137 CD ARG A 10 -3.303 11.412 0.466 1.00 4.43 C ATOM 138 NE ARG A 10 -2.046 12.142 0.615 1.00 15.34 N ATOM 139 CZ ARG A 10 -1.856 13.108 1.473 1.00 64.51 C ATOM 140 NH1 ARG A 10 -2.805 13.490 2.267 1.00 22.35 N ATOM 141 NH2 ARG A 10 -0.713 13.693 1.533 1.00 1.35 N ATOM 0 H ARG A 10 -0.205 7.243 1.199 1.00 4.30 H new ATOM 0 HA ARG A 10 -3.079 7.237 0.463 1.00 65.15 H new ATOM 0 HB2 ARG A 10 -2.519 9.227 1.813 1.00 23.13 H new ATOM 0 HB3 ARG A 10 -1.173 9.597 0.754 1.00 23.13 H new ATOM 0 HG2 ARG A 10 -2.679 10.080 -1.103 1.00 72.22 H new ATOM 0 HG3 ARG A 10 -4.064 9.511 -0.193 1.00 72.22 H new ATOM 0 HD2 ARG A 10 -3.969 11.972 -0.190 1.00 4.43 H new ATOM 0 HD3 ARG A 10 -3.796 11.341 1.436 1.00 4.43 H new ATOM 0 HE ARG A 10 -1.267 11.880 0.010 1.00 15.34 H new ATOM 0 HH11 ARG A 10 -3.717 13.035 2.228 1.00 22.35 H new ATOM 0 HH12 ARG A 10 -2.641 14.246 2.932 1.00 22.35 H new ATOM 0 HH21 ARG A 10 0.042 13.402 0.912 1.00 1.35 H new ATOM 0 HH22 ARG A 10 -0.561 14.448 2.202 1.00 1.35 H new ATOM 155 N ALA A 11 -2.553 7.051 -1.941 1.00 75.22 N ATOM 156 CA ALA A 11 -2.277 6.887 -3.372 1.00 4.10 C ATOM 157 C ALA A 11 -2.310 8.233 -4.113 1.00 12.20 C ATOM 158 O ALA A 11 -3.309 8.956 -4.074 1.00 20.02 O ATOM 159 CB ALA A 11 -3.271 5.909 -3.990 1.00 54.35 C ATOM 0 H ALA A 11 -3.480 6.734 -1.656 1.00 75.22 H new ATOM 0 HA ALA A 11 -1.270 6.482 -3.475 1.00 4.10 H new ATOM 0 HB1 ALA A 11 -3.057 5.795 -5.053 1.00 54.35 H new ATOM 0 HB2 ALA A 11 -3.184 4.941 -3.496 1.00 54.35 H new ATOM 0 HB3 ALA A 11 -4.284 6.291 -3.863 1.00 54.35 H new ATOM 165 N LEU A 12 -1.212 8.562 -4.787 1.00 75.04 N ATOM 166 CA LEU A 12 -1.082 9.839 -5.494 1.00 72.02 C ATOM 167 C LEU A 12 -1.758 9.795 -6.874 1.00 41.11 C ATOM 168 O LEU A 12 -2.545 10.677 -7.224 1.00 33.52 O ATOM 169 CB LEU A 12 0.402 10.201 -5.654 1.00 13.33 C ATOM 170 CG LEU A 12 1.222 10.210 -4.350 1.00 74.35 C ATOM 171 CD1 LEU A 12 2.667 10.627 -4.619 1.00 72.54 C ATOM 172 CD2 LEU A 12 0.577 11.124 -3.311 1.00 5.10 C ATOM 0 H LEU A 12 -0.392 7.959 -4.860 1.00 75.04 H new ATOM 0 HA LEU A 12 -1.584 10.601 -4.898 1.00 72.02 H new ATOM 0 HB2 LEU A 12 0.859 9.494 -6.346 1.00 13.33 H new ATOM 0 HB3 LEU A 12 0.471 11.187 -6.114 1.00 13.33 H new ATOM 0 HG LEU A 12 1.233 9.196 -3.949 1.00 74.35 H new ATOM 0 HD11 LEU A 12 3.226 10.626 -3.683 1.00 72.54 H new ATOM 0 HD12 LEU A 12 3.125 9.925 -5.316 1.00 72.54 H new ATOM 0 HD13 LEU A 12 2.683 11.628 -5.050 1.00 72.54 H new ATOM 0 HD21 LEU A 12 1.173 11.115 -2.398 1.00 5.10 H new ATOM 0 HD22 LEU A 12 0.527 12.140 -3.702 1.00 5.10 H new ATOM 0 HD23 LEU A 12 -0.430 10.770 -3.090 1.00 5.10 H new ATOM 184 N TYR A 13 -1.445 8.760 -7.652 1.00 44.52 N ATOM 185 CA TYR A 13 -1.974 8.621 -9.016 1.00 1.42 C ATOM 186 C TYR A 13 -2.633 7.248 -9.223 1.00 61.24 C ATOM 187 O TYR A 13 -2.277 6.277 -8.556 1.00 10.43 O ATOM 188 CB TYR A 13 -0.852 8.842 -10.043 1.00 33.21 C ATOM 189 CG TYR A 13 -0.289 10.251 -10.013 1.00 40.53 C ATOM 190 CD1 TYR A 13 -0.986 11.309 -10.589 1.00 34.40 C ATOM 191 CD2 TYR A 13 0.923 10.529 -9.390 1.00 43.22 C ATOM 192 CE1 TYR A 13 -0.493 12.598 -10.547 1.00 14.15 C ATOM 193 CE2 TYR A 13 1.425 11.815 -9.346 1.00 1.11 C ATOM 194 CZ TYR A 13 0.711 12.846 -9.924 1.00 30.40 C ATOM 195 OH TYR A 13 1.200 14.135 -9.872 1.00 60.32 O ATOM 0 H TYR A 13 -0.827 8.002 -7.364 1.00 44.52 H new ATOM 0 HA TYR A 13 -2.741 9.381 -9.161 1.00 1.42 H new ATOM 0 HB2 TYR A 13 -0.048 8.131 -9.853 1.00 33.21 H new ATOM 0 HB3 TYR A 13 -1.234 8.631 -11.042 1.00 33.21 H new ATOM 0 HD1 TYR A 13 -1.930 11.118 -11.078 1.00 34.40 H new ATOM 0 HD2 TYR A 13 1.481 9.725 -8.933 1.00 43.22 H new ATOM 0 HE1 TYR A 13 -1.047 13.407 -11.000 1.00 14.15 H new ATOM 0 HE2 TYR A 13 2.370 12.013 -8.862 1.00 1.11 H new ATOM 0 HH TYR A 13 2.058 14.141 -9.398 1.00 60.32 H new ATOM 205 N PRO A 14 -3.607 7.152 -10.155 1.00 50.32 N ATOM 206 CA PRO A 14 -4.339 5.899 -10.403 1.00 73.34 C ATOM 207 C PRO A 14 -3.477 4.793 -11.039 1.00 54.52 C ATOM 208 O PRO A 14 -2.773 5.014 -12.027 1.00 54.34 O ATOM 209 CB PRO A 14 -5.468 6.318 -11.355 1.00 72.10 C ATOM 210 CG PRO A 14 -4.959 7.550 -12.031 1.00 11.50 C ATOM 211 CD PRO A 14 -4.079 8.250 -11.027 1.00 42.43 C ATOM 0 HA PRO A 14 -4.687 5.460 -9.468 1.00 73.34 H new ATOM 0 HB2 PRO A 14 -5.688 5.532 -12.078 1.00 72.10 H new ATOM 0 HB3 PRO A 14 -6.391 6.518 -10.811 1.00 72.10 H new ATOM 0 HG2 PRO A 14 -4.398 7.296 -12.930 1.00 11.50 H new ATOM 0 HG3 PRO A 14 -5.783 8.193 -12.340 1.00 11.50 H new ATOM 0 HD2 PRO A 14 -3.248 8.763 -11.511 1.00 42.43 H new ATOM 0 HD3 PRO A 14 -4.632 9.001 -10.463 1.00 42.43 H new ATOM 219 N PHE A 15 -3.555 3.601 -10.458 1.00 60.53 N ATOM 220 CA PHE A 15 -2.868 2.415 -10.973 1.00 72.01 C ATOM 221 C PHE A 15 -3.881 1.396 -11.519 1.00 30.51 C ATOM 222 O PHE A 15 -4.865 1.074 -10.851 1.00 32.35 O ATOM 223 CB PHE A 15 -2.024 1.772 -9.858 1.00 23.14 C ATOM 224 CG PHE A 15 -1.540 0.377 -10.177 1.00 61.01 C ATOM 225 CD1 PHE A 15 -0.424 0.177 -10.973 1.00 14.53 C ATOM 226 CD2 PHE A 15 -2.208 -0.735 -9.675 1.00 43.41 C ATOM 227 CE1 PHE A 15 0.017 -1.101 -11.261 1.00 33.32 C ATOM 228 CE2 PHE A 15 -1.770 -2.012 -9.961 1.00 45.52 C ATOM 229 CZ PHE A 15 -0.657 -2.196 -10.756 1.00 21.32 C ATOM 0 H PHE A 15 -4.098 3.426 -9.613 1.00 60.53 H new ATOM 0 HA PHE A 15 -2.212 2.721 -11.788 1.00 72.01 H new ATOM 0 HB2 PHE A 15 -1.161 2.407 -9.658 1.00 23.14 H new ATOM 0 HB3 PHE A 15 -2.615 1.739 -8.943 1.00 23.14 H new ATOM 0 HD1 PHE A 15 0.107 1.028 -11.373 1.00 14.53 H new ATOM 0 HD2 PHE A 15 -3.080 -0.597 -9.054 1.00 43.41 H new ATOM 0 HE1 PHE A 15 0.889 -1.244 -11.881 1.00 33.32 H new ATOM 0 HE2 PHE A 15 -2.298 -2.866 -9.563 1.00 45.52 H new ATOM 0 HZ PHE A 15 -0.314 -3.194 -10.983 1.00 21.32 H new ATOM 367 N LEU A 23 -4.581 -5.315 -5.988 1.00 34.21 N ATOM 368 CA LEU A 23 -5.213 -4.092 -5.488 1.00 52.25 C ATOM 369 C LEU A 23 -4.760 -2.857 -6.284 1.00 40.20 C ATOM 370 O LEU A 23 -3.575 -2.526 -6.332 1.00 52.41 O ATOM 371 CB LEU A 23 -4.900 -3.913 -3.995 1.00 61.34 C ATOM 372 CG LEU A 23 -5.584 -2.715 -3.315 1.00 23.11 C ATOM 373 CD1 LEU A 23 -7.101 -2.798 -3.474 1.00 20.34 C ATOM 374 CD2 LEU A 23 -5.196 -2.643 -1.839 1.00 53.25 C ATOM 0 HA LEU A 23 -6.291 -4.190 -5.619 1.00 52.25 H new ATOM 0 HB2 LEU A 23 -5.191 -4.822 -3.469 1.00 61.34 H new ATOM 0 HB3 LEU A 23 -3.821 -3.808 -3.878 1.00 61.34 H new ATOM 0 HG LEU A 23 -5.242 -1.802 -3.803 1.00 23.11 H new ATOM 0 HD11 LEU A 23 -7.565 -1.941 -2.986 1.00 20.34 H new ATOM 0 HD12 LEU A 23 -7.357 -2.794 -4.534 1.00 20.34 H new ATOM 0 HD13 LEU A 23 -7.465 -3.718 -3.016 1.00 20.34 H new ATOM 0 HD21 LEU A 23 -5.689 -1.789 -1.374 1.00 53.25 H new ATOM 0 HD22 LEU A 23 -5.506 -3.559 -1.336 1.00 53.25 H new ATOM 0 HD23 LEU A 23 -4.115 -2.529 -1.752 1.00 53.25 H new ATOM 386 N GLU A 24 -5.721 -2.180 -6.905 1.00 4.20 N ATOM 387 CA GLU A 24 -5.440 -0.989 -7.712 1.00 31.53 C ATOM 388 C GLU A 24 -5.513 0.300 -6.876 1.00 13.23 C ATOM 389 O GLU A 24 -6.051 0.309 -5.769 1.00 62.21 O ATOM 390 CB GLU A 24 -6.411 -0.927 -8.895 1.00 2.14 C ATOM 391 CG GLU A 24 -6.231 -2.081 -9.878 1.00 43.54 C ATOM 392 CD GLU A 24 -7.296 -2.116 -10.956 1.00 52.11 C ATOM 393 OE1 GLU A 24 -7.109 -1.462 -12.000 1.00 60.24 O ATOM 394 OE2 GLU A 24 -8.321 -2.797 -10.764 1.00 70.44 O ATOM 0 H GLU A 24 -6.708 -2.435 -6.866 1.00 4.20 H new ATOM 0 HA GLU A 24 -4.420 -1.066 -8.088 1.00 31.53 H new ATOM 0 HB2 GLU A 24 -7.434 -0.934 -8.519 1.00 2.14 H new ATOM 0 HB3 GLU A 24 -6.272 0.017 -9.422 1.00 2.14 H new ATOM 0 HG2 GLU A 24 -5.250 -2.001 -10.347 1.00 43.54 H new ATOM 0 HG3 GLU A 24 -6.246 -3.023 -9.330 1.00 43.54 H new ATOM 401 N LEU A 25 -4.972 1.389 -7.422 1.00 51.55 N ATOM 402 CA LEU A 25 -4.856 2.660 -6.686 1.00 35.24 C ATOM 403 C LEU A 25 -5.576 3.808 -7.412 1.00 64.22 C ATOM 404 O LEU A 25 -5.641 3.832 -8.641 1.00 13.24 O ATOM 405 CB LEU A 25 -3.372 3.011 -6.503 1.00 54.31 C ATOM 406 CG LEU A 25 -2.539 1.950 -5.764 1.00 73.45 C ATOM 407 CD1 LEU A 25 -1.062 2.334 -5.737 1.00 21.43 C ATOM 408 CD2 LEU A 25 -3.066 1.739 -4.347 1.00 55.42 C ATOM 0 H LEU A 25 -4.605 1.422 -8.373 1.00 51.55 H new ATOM 0 HA LEU A 25 -5.334 2.532 -5.715 1.00 35.24 H new ATOM 0 HB2 LEU A 25 -2.930 3.179 -7.485 1.00 54.31 H new ATOM 0 HB3 LEU A 25 -3.301 3.952 -5.957 1.00 54.31 H new ATOM 0 HG LEU A 25 -2.634 1.011 -6.309 1.00 73.45 H new ATOM 0 HD11 LEU A 25 -0.496 1.567 -5.209 1.00 21.43 H new ATOM 0 HD12 LEU A 25 -0.690 2.421 -6.758 1.00 21.43 H new ATOM 0 HD13 LEU A 25 -0.944 3.289 -5.225 1.00 21.43 H new ATOM 0 HD21 LEU A 25 -2.462 0.985 -3.843 1.00 55.42 H new ATOM 0 HD22 LEU A 25 -3.010 2.677 -3.795 1.00 55.42 H new ATOM 0 HD23 LEU A 25 -4.103 1.405 -4.390 1.00 55.42 H new ATOM 420 N LEU A 26 -6.128 4.749 -6.645 1.00 74.14 N ATOM 421 CA LEU A 26 -6.799 5.935 -7.205 1.00 72.22 C ATOM 422 C LEU A 26 -6.162 7.237 -6.677 1.00 63.01 C ATOM 423 O LEU A 26 -5.562 7.250 -5.603 1.00 42.32 O ATOM 424 CB LEU A 26 -8.308 5.914 -6.873 1.00 55.12 C ATOM 425 CG LEU A 26 -9.181 4.966 -7.726 1.00 13.15 C ATOM 426 CD1 LEU A 26 -9.016 5.271 -9.213 1.00 62.24 C ATOM 427 CD2 LEU A 26 -8.866 3.501 -7.434 1.00 64.03 C ATOM 0 H LEU A 26 -6.126 4.717 -5.626 1.00 74.14 H new ATOM 0 HA LEU A 26 -6.674 5.906 -8.287 1.00 72.22 H new ATOM 0 HB2 LEU A 26 -8.424 5.637 -5.825 1.00 55.12 H new ATOM 0 HB3 LEU A 26 -8.697 6.927 -6.980 1.00 55.12 H new ATOM 0 HG LEU A 26 -10.222 5.139 -7.453 1.00 13.15 H new ATOM 0 HD11 LEU A 26 -9.639 4.592 -9.795 1.00 62.24 H new ATOM 0 HD12 LEU A 26 -9.319 6.300 -9.409 1.00 62.24 H new ATOM 0 HD13 LEU A 26 -7.972 5.139 -9.498 1.00 62.24 H new ATOM 0 HD21 LEU A 26 -9.498 2.863 -8.051 1.00 64.03 H new ATOM 0 HD22 LEU A 26 -7.819 3.302 -7.660 1.00 64.03 H new ATOM 0 HD23 LEU A 26 -9.056 3.291 -6.381 1.00 64.03 H new ATOM 439 N PRO A 27 -6.285 8.360 -7.420 1.00 75.13 N ATOM 440 CA PRO A 27 -5.712 9.651 -6.993 1.00 51.51 C ATOM 441 C PRO A 27 -6.396 10.211 -5.730 1.00 30.31 C ATOM 442 O PRO A 27 -7.596 10.493 -5.733 1.00 11.43 O ATOM 443 CB PRO A 27 -5.956 10.566 -8.205 1.00 60.31 C ATOM 444 CG PRO A 27 -7.118 9.957 -8.916 1.00 54.35 C ATOM 445 CD PRO A 27 -6.989 8.470 -8.715 1.00 71.31 C ATOM 0 HA PRO A 27 -4.661 9.563 -6.719 1.00 51.51 H new ATOM 0 HB2 PRO A 27 -6.175 11.587 -7.892 1.00 60.31 H new ATOM 0 HB3 PRO A 27 -5.078 10.611 -8.849 1.00 60.31 H new ATOM 0 HG2 PRO A 27 -8.061 10.326 -8.512 1.00 54.35 H new ATOM 0 HG3 PRO A 27 -7.105 10.211 -9.976 1.00 54.35 H new ATOM 0 HD2 PRO A 27 -7.963 7.982 -8.685 1.00 71.31 H new ATOM 0 HD3 PRO A 27 -6.423 8.003 -9.521 1.00 71.31 H new ATOM 453 N GLY A 28 -5.627 10.362 -4.650 1.00 32.44 N ATOM 454 CA GLY A 28 -6.185 10.833 -3.385 1.00 53.50 C ATOM 455 C GLY A 28 -6.871 9.719 -2.595 1.00 63.41 C ATOM 456 O GLY A 28 -7.809 9.968 -1.831 1.00 70.14 O ATOM 0 H GLY A 28 -4.626 10.167 -4.627 1.00 32.44 H new ATOM 0 HA2 GLY A 28 -5.389 11.266 -2.779 1.00 53.50 H new ATOM 0 HA3 GLY A 28 -6.903 11.629 -3.583 1.00 53.50 H new ATOM 460 N ASP A 29 -6.407 8.486 -2.792 1.00 71.32 N ATOM 461 CA ASP A 29 -6.965 7.316 -2.108 1.00 1.30 C ATOM 462 C ASP A 29 -6.175 7.014 -0.819 1.00 72.11 C ATOM 463 O ASP A 29 -5.009 7.393 -0.693 1.00 21.53 O ATOM 464 CB ASP A 29 -6.926 6.102 -3.055 1.00 1.44 C ATOM 465 CG ASP A 29 -7.976 5.051 -2.739 1.00 41.34 C ATOM 466 OD1 ASP A 29 -8.342 4.894 -1.554 1.00 22.11 O ATOM 467 OD2 ASP A 29 -8.433 4.368 -3.679 1.00 64.32 O ATOM 0 H ASP A 29 -5.638 8.268 -3.426 1.00 71.32 H new ATOM 0 HA ASP A 29 -7.998 7.525 -1.832 1.00 1.30 H new ATOM 0 HB2 ASP A 29 -7.065 6.446 -4.080 1.00 1.44 H new ATOM 0 HB3 ASP A 29 -5.938 5.644 -3.004 1.00 1.44 H new ATOM 472 N VAL A 30 -6.807 6.328 0.131 1.00 63.42 N ATOM 473 CA VAL A 30 -6.167 5.984 1.408 1.00 51.52 C ATOM 474 C VAL A 30 -6.146 4.462 1.613 1.00 51.14 C ATOM 475 O VAL A 30 -7.152 3.785 1.411 1.00 44.31 O ATOM 476 CB VAL A 30 -6.893 6.647 2.607 1.00 62.04 C ATOM 477 CG1 VAL A 30 -6.205 6.300 3.929 1.00 54.33 C ATOM 478 CG2 VAL A 30 -6.974 8.161 2.418 1.00 50.14 C ATOM 0 H VAL A 30 -7.767 5.996 0.044 1.00 63.42 H new ATOM 0 HA VAL A 30 -5.145 6.362 1.365 1.00 51.52 H new ATOM 0 HB VAL A 30 -7.908 6.252 2.646 1.00 62.04 H new ATOM 0 HG11 VAL A 30 -6.736 6.779 4.752 1.00 54.33 H new ATOM 0 HG12 VAL A 30 -6.214 5.219 4.071 1.00 54.33 H new ATOM 0 HG13 VAL A 30 -5.175 6.655 3.907 1.00 54.33 H new ATOM 0 HG21 VAL A 30 -7.487 8.607 3.270 1.00 50.14 H new ATOM 0 HG22 VAL A 30 -5.967 8.573 2.344 1.00 50.14 H new ATOM 0 HG23 VAL A 30 -7.525 8.385 1.505 1.00 50.14 H new ATOM 488 N LEU A 31 -4.994 3.925 2.005 1.00 54.42 N ATOM 489 CA LEU A 31 -4.852 2.482 2.239 1.00 60.22 C ATOM 490 C LEU A 31 -4.268 2.194 3.631 1.00 74.14 C ATOM 491 O LEU A 31 -3.191 2.679 3.982 1.00 52.10 O ATOM 492 CB LEU A 31 -3.968 1.831 1.158 1.00 52.41 C ATOM 493 CG LEU A 31 -4.514 1.893 -0.284 1.00 25.44 C ATOM 494 CD1 LEU A 31 -4.247 3.257 -0.925 1.00 72.24 C ATOM 495 CD2 LEU A 31 -3.926 0.770 -1.133 1.00 54.13 C ATOM 0 H LEU A 31 -4.143 4.463 2.169 1.00 54.42 H new ATOM 0 HA LEU A 31 -5.851 2.048 2.187 1.00 60.22 H new ATOM 0 HB2 LEU A 31 -2.990 2.312 1.177 1.00 52.41 H new ATOM 0 HB3 LEU A 31 -3.814 0.785 1.423 1.00 52.41 H new ATOM 0 HG LEU A 31 -5.594 1.757 -0.236 1.00 25.44 H new ATOM 0 HD11 LEU A 31 -4.644 3.266 -1.940 1.00 72.24 H new ATOM 0 HD12 LEU A 31 -4.733 4.036 -0.338 1.00 72.24 H new ATOM 0 HD13 LEU A 31 -3.173 3.441 -0.954 1.00 72.24 H new ATOM 0 HD21 LEU A 31 -4.324 0.833 -2.146 1.00 54.13 H new ATOM 0 HD22 LEU A 31 -2.841 0.867 -1.163 1.00 54.13 H new ATOM 0 HD23 LEU A 31 -4.192 -0.193 -0.697 1.00 54.13 H new ATOM 507 N VAL A 32 -4.987 1.399 4.420 1.00 24.44 N ATOM 508 CA VAL A 32 -4.531 1.007 5.756 1.00 74.01 C ATOM 509 C VAL A 32 -3.797 -0.340 5.706 1.00 42.02 C ATOM 510 O VAL A 32 -4.369 -1.358 5.312 1.00 25.12 O ATOM 511 CB VAL A 32 -5.714 0.908 6.752 1.00 21.31 C ATOM 512 CG1 VAL A 32 -5.221 0.558 8.157 1.00 64.15 C ATOM 513 CG2 VAL A 32 -6.515 2.210 6.766 1.00 32.12 C ATOM 0 H VAL A 32 -5.893 1.011 4.157 1.00 24.44 H new ATOM 0 HA VAL A 32 -3.846 1.781 6.102 1.00 74.01 H new ATOM 0 HB VAL A 32 -6.371 0.105 6.419 1.00 21.31 H new ATOM 0 HG11 VAL A 32 -6.071 0.495 8.836 1.00 64.15 H new ATOM 0 HG12 VAL A 32 -4.704 -0.401 8.133 1.00 64.15 H new ATOM 0 HG13 VAL A 32 -4.536 1.331 8.505 1.00 64.15 H new ATOM 0 HG21 VAL A 32 -7.341 2.121 7.471 1.00 32.12 H new ATOM 0 HG22 VAL A 32 -5.867 3.033 7.068 1.00 32.12 H new ATOM 0 HG23 VAL A 32 -6.909 2.406 5.769 1.00 32.12 H new ATOM 523 N VAL A 33 -2.527 -0.339 6.096 1.00 63.24 N ATOM 524 CA VAL A 33 -1.701 -1.548 6.043 1.00 3.20 C ATOM 525 C VAL A 33 -1.277 -2.007 7.447 1.00 22.24 C ATOM 526 O VAL A 33 -0.406 -1.402 8.075 1.00 55.43 O ATOM 527 CB VAL A 33 -0.436 -1.325 5.171 1.00 12.23 C ATOM 528 CG1 VAL A 33 0.423 -2.590 5.111 1.00 31.01 C ATOM 529 CG2 VAL A 33 -0.825 -0.862 3.766 1.00 41.15 C ATOM 0 H VAL A 33 -2.043 0.485 6.453 1.00 63.24 H new ATOM 0 HA VAL A 33 -2.314 -2.328 5.591 1.00 3.20 H new ATOM 0 HB VAL A 33 0.161 -0.540 5.636 1.00 12.23 H new ATOM 0 HG11 VAL A 33 1.302 -2.404 4.494 1.00 31.01 H new ATOM 0 HG12 VAL A 33 0.738 -2.864 6.118 1.00 31.01 H new ATOM 0 HG13 VAL A 33 -0.158 -3.404 4.679 1.00 31.01 H new ATOM 0 HG21 VAL A 33 0.075 -0.711 3.170 1.00 41.15 H new ATOM 0 HG22 VAL A 33 -1.450 -1.620 3.293 1.00 41.15 H new ATOM 0 HG23 VAL A 33 -1.378 0.075 3.832 1.00 41.15 H new ATOM 539 N SER A 34 -1.912 -3.071 7.941 1.00 42.30 N ATOM 540 CA SER A 34 -1.516 -3.686 9.212 1.00 60.24 C ATOM 541 C SER A 34 -0.072 -4.193 9.126 1.00 73.33 C ATOM 542 O SER A 34 0.245 -5.046 8.297 1.00 14.13 O ATOM 543 CB SER A 34 -2.467 -4.835 9.580 1.00 43.43 C ATOM 544 OG SER A 34 -3.794 -4.360 9.768 1.00 74.23 O ATOM 0 H SER A 34 -2.702 -3.525 7.482 1.00 42.30 H new ATOM 0 HA SER A 34 -1.577 -2.930 9.995 1.00 60.24 H new ATOM 0 HB2 SER A 34 -2.455 -5.588 8.792 1.00 43.43 H new ATOM 0 HB3 SER A 34 -2.119 -5.322 10.491 1.00 43.43 H new ATOM 0 HG SER A 34 -4.380 -5.110 10.000 1.00 74.23 H new ATOM 550 N ARG A 35 0.804 -3.670 9.987 1.00 24.14 N ATOM 551 CA ARG A 35 2.249 -3.916 9.862 1.00 30.53 C ATOM 552 C ARG A 35 2.613 -5.403 10.025 1.00 32.12 C ATOM 553 O ARG A 35 3.733 -5.810 9.712 1.00 41.44 O ATOM 554 CB ARG A 35 3.037 -3.046 10.853 1.00 64.41 C ATOM 555 CG ARG A 35 2.922 -3.474 12.309 1.00 3.14 C ATOM 556 CD ARG A 35 3.670 -2.517 13.237 1.00 14.10 C ATOM 557 NE ARG A 35 5.035 -2.238 12.776 1.00 32.14 N ATOM 558 CZ ARG A 35 6.092 -2.247 13.545 1.00 4.21 C ATOM 559 NH1 ARG A 35 6.000 -2.579 14.795 1.00 41.10 N ATOM 560 NH2 ARG A 35 7.246 -1.927 13.055 1.00 4.35 N ATOM 0 H ARG A 35 0.544 -3.077 10.775 1.00 24.14 H new ATOM 0 HA ARG A 35 2.532 -3.634 8.848 1.00 30.53 H new ATOM 0 HB2 ARG A 35 4.089 -3.057 10.568 1.00 64.41 H new ATOM 0 HB3 ARG A 35 2.693 -2.016 10.763 1.00 64.41 H new ATOM 0 HG2 ARG A 35 1.871 -3.513 12.596 1.00 3.14 H new ATOM 0 HG3 ARG A 35 3.322 -4.481 12.425 1.00 3.14 H new ATOM 0 HD2 ARG A 35 3.117 -1.581 13.311 1.00 14.10 H new ATOM 0 HD3 ARG A 35 3.709 -2.944 14.239 1.00 14.10 H new ATOM 0 HE ARG A 35 5.168 -2.022 11.788 1.00 32.14 H new ATOM 0 HH11 ARG A 35 5.095 -2.837 15.189 1.00 41.10 H new ATOM 0 HH12 ARG A 35 6.832 -2.582 15.384 1.00 41.10 H new ATOM 0 HH21 ARG A 35 7.329 -1.669 12.072 1.00 4.35 H new ATOM 0 HH22 ARG A 35 8.073 -1.933 13.652 1.00 4.35 H new ATOM 574 N ALA A 36 1.666 -6.213 10.500 1.00 33.13 N ATOM 575 CA ALA A 36 1.840 -7.671 10.515 1.00 50.53 C ATOM 576 C ALA A 36 2.120 -8.194 9.095 1.00 4.50 C ATOM 577 O ALA A 36 2.919 -9.114 8.897 1.00 71.41 O ATOM 578 CB ALA A 36 0.605 -8.343 11.104 1.00 65.42 C ATOM 0 H ALA A 36 0.775 -5.890 10.878 1.00 33.13 H new ATOM 0 HA ALA A 36 2.697 -7.915 11.142 1.00 50.53 H new ATOM 0 HB1 ALA A 36 0.747 -9.424 11.110 1.00 65.42 H new ATOM 0 HB2 ALA A 36 0.452 -7.992 12.124 1.00 65.42 H new ATOM 0 HB3 ALA A 36 -0.267 -8.094 10.500 1.00 65.42 H new ATOM 584 N ALA A 37 1.461 -7.581 8.110 1.00 43.11 N ATOM 585 CA ALA A 37 1.694 -7.892 6.698 1.00 25.04 C ATOM 586 C ALA A 37 3.094 -7.435 6.253 1.00 30.24 C ATOM 587 O ALA A 37 3.749 -8.097 5.447 1.00 1.13 O ATOM 588 CB ALA A 37 0.616 -7.244 5.836 1.00 14.42 C ATOM 0 H ALA A 37 0.756 -6.861 8.266 1.00 43.11 H new ATOM 0 HA ALA A 37 1.643 -8.973 6.571 1.00 25.04 H new ATOM 0 HB1 ALA A 37 0.797 -7.481 4.788 1.00 14.42 H new ATOM 0 HB2 ALA A 37 -0.362 -7.624 6.130 1.00 14.42 H new ATOM 0 HB3 ALA A 37 0.641 -6.163 5.974 1.00 14.42 H new ATOM 594 N LEU A 38 3.554 -6.303 6.791 1.00 14.50 N ATOM 595 CA LEU A 38 4.920 -5.825 6.536 1.00 11.24 C ATOM 596 C LEU A 38 5.952 -6.831 7.073 1.00 75.32 C ATOM 597 O LEU A 38 7.024 -7.014 6.490 1.00 64.22 O ATOM 598 CB LEU A 38 5.142 -4.443 7.170 1.00 54.40 C ATOM 599 CG LEU A 38 4.240 -3.315 6.632 1.00 23.24 C ATOM 600 CD1 LEU A 38 4.540 -1.994 7.339 1.00 15.51 C ATOM 601 CD2 LEU A 38 4.402 -3.167 5.120 1.00 43.02 C ATOM 0 H LEU A 38 3.005 -5.700 7.404 1.00 14.50 H new ATOM 0 HA LEU A 38 5.052 -5.733 5.458 1.00 11.24 H new ATOM 0 HB2 LEU A 38 4.987 -4.527 8.246 1.00 54.40 H new ATOM 0 HB3 LEU A 38 6.183 -4.156 7.019 1.00 54.40 H new ATOM 0 HG LEU A 38 3.204 -3.583 6.840 1.00 23.24 H new ATOM 0 HD11 LEU A 38 3.891 -1.213 6.942 1.00 15.51 H new ATOM 0 HD12 LEU A 38 4.362 -2.105 8.409 1.00 15.51 H new ATOM 0 HD13 LEU A 38 5.582 -1.720 7.171 1.00 15.51 H new ATOM 0 HD21 LEU A 38 3.756 -2.365 4.762 1.00 43.02 H new ATOM 0 HD22 LEU A 38 5.440 -2.929 4.887 1.00 43.02 H new ATOM 0 HD23 LEU A 38 4.126 -4.101 4.631 1.00 43.02 H new ATOM 613 N GLN A 39 5.617 -7.485 8.187 1.00 35.02 N ATOM 614 CA GLN A 39 6.435 -8.580 8.724 1.00 3.05 C ATOM 615 C GLN A 39 6.476 -9.765 7.743 1.00 14.40 C ATOM 616 O GLN A 39 7.501 -10.437 7.607 1.00 24.43 O ATOM 617 CB GLN A 39 5.892 -9.042 10.085 1.00 10.14 C ATOM 618 CG GLN A 39 5.964 -7.976 11.175 1.00 10.20 C ATOM 619 CD GLN A 39 5.395 -8.458 12.502 1.00 55.21 C ATOM 620 OE1 GLN A 39 4.216 -8.280 12.792 1.00 12.13 O ATOM 621 NE2 GLN A 39 6.224 -9.079 13.314 1.00 74.51 N ATOM 0 H GLN A 39 4.784 -7.277 8.737 1.00 35.02 H new ATOM 0 HA GLN A 39 7.450 -8.207 8.859 1.00 3.05 H new ATOM 0 HB2 GLN A 39 4.855 -9.354 9.964 1.00 10.14 H new ATOM 0 HB3 GLN A 39 6.453 -9.918 10.410 1.00 10.14 H new ATOM 0 HG2 GLN A 39 7.002 -7.676 11.317 1.00 10.20 H new ATOM 0 HG3 GLN A 39 5.418 -7.091 10.849 1.00 10.20 H new ATOM 0 HE21 GLN A 39 7.199 -9.212 13.044 1.00 74.51 H new ATOM 0 HE22 GLN A 39 5.892 -9.428 14.213 1.00 74.51 H new ATOM 630 N ALA A 40 5.357 -10.009 7.061 1.00 2.25 N ATOM 631 CA ALA A 40 5.283 -11.056 6.032 1.00 35.00 C ATOM 632 C ALA A 40 6.135 -10.694 4.805 1.00 70.22 C ATOM 633 O ALA A 40 6.559 -11.566 4.049 1.00 43.31 O ATOM 634 CB ALA A 40 3.834 -11.299 5.623 1.00 44.53 C ATOM 0 H ALA A 40 4.486 -9.497 7.200 1.00 2.25 H new ATOM 0 HA ALA A 40 5.685 -11.975 6.459 1.00 35.00 H new ATOM 0 HB1 ALA A 40 3.797 -12.077 4.860 1.00 44.53 H new ATOM 0 HB2 ALA A 40 3.259 -11.616 6.493 1.00 44.53 H new ATOM 0 HB3 ALA A 40 3.410 -10.378 5.223 1.00 44.53 H new ATOM 640 N LEU A 41 6.358 -9.396 4.601 1.00 23.21 N ATOM 641 CA LEU A 41 7.278 -8.921 3.558 1.00 50.54 C ATOM 642 C LEU A 41 8.739 -8.999 4.031 1.00 4.10 C ATOM 643 O LEU A 41 9.664 -9.150 3.225 1.00 61.20 O ATOM 644 CB LEU A 41 6.951 -7.468 3.183 1.00 24.21 C ATOM 645 CG LEU A 41 5.546 -7.220 2.608 1.00 44.33 C ATOM 646 CD1 LEU A 41 5.310 -5.724 2.403 1.00 12.11 C ATOM 647 CD2 LEU A 41 5.356 -7.981 1.298 1.00 42.21 C ATOM 0 H LEU A 41 5.917 -8.652 5.142 1.00 23.21 H new ATOM 0 HA LEU A 41 7.153 -9.565 2.688 1.00 50.54 H new ATOM 0 HB2 LEU A 41 7.073 -6.848 4.071 1.00 24.21 H new ATOM 0 HB3 LEU A 41 7.686 -7.128 2.453 1.00 24.21 H new ATOM 0 HG LEU A 41 4.812 -7.589 3.324 1.00 44.33 H new ATOM 0 HD11 LEU A 41 4.311 -5.566 1.996 1.00 12.11 H new ATOM 0 HD12 LEU A 41 5.398 -5.207 3.359 1.00 12.11 H new ATOM 0 HD13 LEU A 41 6.052 -5.330 1.708 1.00 12.11 H new ATOM 0 HD21 LEU A 41 4.356 -7.791 0.909 1.00 42.21 H new ATOM 0 HD22 LEU A 41 6.097 -7.647 0.572 1.00 42.21 H new ATOM 0 HD23 LEU A 41 5.479 -9.049 1.477 1.00 42.21 H new ATOM 659 N GLY A 42 8.935 -8.886 5.343 1.00 45.32 N ATOM 660 CA GLY A 42 10.280 -8.842 5.908 1.00 71.11 C ATOM 661 C GLY A 42 10.965 -7.495 5.683 1.00 22.21 C ATOM 662 O GLY A 42 12.174 -7.430 5.458 1.00 50.14 O ATOM 0 H GLY A 42 8.184 -8.824 6.030 1.00 45.32 H new ATOM 0 HA2 GLY A 42 10.228 -9.045 6.978 1.00 71.11 H new ATOM 0 HA3 GLY A 42 10.884 -9.632 5.462 1.00 71.11 H new ATOM 666 N VAL A 43 10.185 -6.419 5.755 1.00 60.04 N ATOM 667 CA VAL A 43 10.683 -5.064 5.482 1.00 63.44 C ATOM 668 C VAL A 43 11.831 -4.654 6.425 1.00 40.12 C ATOM 669 O VAL A 43 11.759 -4.848 7.643 1.00 15.44 O ATOM 670 CB VAL A 43 9.542 -4.019 5.592 1.00 72.24 C ATOM 671 CG1 VAL A 43 10.054 -2.616 5.277 1.00 42.23 C ATOM 672 CG2 VAL A 43 8.376 -4.388 4.677 1.00 2.43 C ATOM 0 H VAL A 43 9.196 -6.456 6.002 1.00 60.04 H new ATOM 0 HA VAL A 43 11.070 -5.084 4.463 1.00 63.44 H new ATOM 0 HB VAL A 43 9.181 -4.024 6.620 1.00 72.24 H new ATOM 0 HG11 VAL A 43 9.235 -1.902 5.361 1.00 42.23 H new ATOM 0 HG12 VAL A 43 10.841 -2.349 5.982 1.00 42.23 H new ATOM 0 HG13 VAL A 43 10.452 -2.593 4.263 1.00 42.23 H new ATOM 0 HG21 VAL A 43 7.588 -3.640 4.772 1.00 2.43 H new ATOM 0 HG22 VAL A 43 8.721 -4.422 3.644 1.00 2.43 H new ATOM 0 HG23 VAL A 43 7.985 -5.365 4.962 1.00 2.43 H new ATOM 682 N ALA A 44 12.886 -4.085 5.846 1.00 24.21 N ATOM 683 CA ALA A 44 14.029 -3.577 6.616 1.00 73.24 C ATOM 684 C ALA A 44 13.776 -2.147 7.121 1.00 2.42 C ATOM 685 O ALA A 44 13.019 -1.387 6.506 1.00 0.13 O ATOM 686 CB ALA A 44 15.296 -3.621 5.772 1.00 5.33 C ATOM 0 H ALA A 44 12.977 -3.962 4.838 1.00 24.21 H new ATOM 0 HA ALA A 44 14.158 -4.221 7.486 1.00 73.24 H new ATOM 0 HB1 ALA A 44 16.135 -3.242 6.355 1.00 5.33 H new ATOM 0 HB2 ALA A 44 15.498 -4.649 5.472 1.00 5.33 H new ATOM 0 HB3 ALA A 44 15.163 -3.004 4.884 1.00 5.33 H new ATOM 692 N GLU A 45 14.397 -1.793 8.250 1.00 23.44 N ATOM 693 CA GLU A 45 14.241 -0.456 8.845 1.00 34.24 C ATOM 694 C GLU A 45 14.471 0.654 7.804 1.00 74.32 C ATOM 695 O GLU A 45 15.593 0.872 7.343 1.00 43.44 O ATOM 696 CB GLU A 45 15.204 -0.260 10.032 1.00 74.01 C ATOM 697 CG GLU A 45 14.998 -1.236 11.195 1.00 70.02 C ATOM 698 CD GLU A 45 15.722 -2.564 11.010 1.00 63.52 C ATOM 699 OE1 GLU A 45 15.168 -3.473 10.359 1.00 64.12 O ATOM 700 OE2 GLU A 45 16.855 -2.704 11.523 1.00 43.41 O ATOM 0 H GLU A 45 15.015 -2.413 8.774 1.00 23.44 H new ATOM 0 HA GLU A 45 13.215 -0.386 9.207 1.00 34.24 H new ATOM 0 HB2 GLU A 45 16.228 -0.358 9.671 1.00 74.01 H new ATOM 0 HB3 GLU A 45 15.094 0.758 10.407 1.00 74.01 H new ATOM 0 HG2 GLU A 45 15.344 -0.768 12.117 1.00 70.02 H new ATOM 0 HG3 GLU A 45 13.931 -1.426 11.315 1.00 70.02 H new ATOM 707 N GLY A 46 13.399 1.356 7.448 1.00 62.15 N ATOM 708 CA GLY A 46 13.457 2.351 6.384 1.00 62.51 C ATOM 709 C GLY A 46 12.366 2.137 5.340 1.00 1.42 C ATOM 710 O GLY A 46 11.628 3.061 5.004 1.00 72.40 O ATOM 0 H GLY A 46 12.481 1.254 7.881 1.00 62.15 H new ATOM 0 HA2 GLY A 46 13.357 3.348 6.814 1.00 62.51 H new ATOM 0 HA3 GLY A 46 14.433 2.309 5.901 1.00 62.51 H new ATOM 714 N GLY A 47 12.254 0.907 4.840 1.00 11.12 N ATOM 715 CA GLY A 47 11.226 0.585 3.851 1.00 54.23 C ATOM 716 C GLY A 47 9.809 0.777 4.385 1.00 55.43 C ATOM 717 O GLY A 47 8.880 1.051 3.626 1.00 52.11 O ATOM 0 H GLY A 47 12.855 0.125 5.100 1.00 11.12 H new ATOM 0 HA2 GLY A 47 11.366 1.213 2.971 1.00 54.23 H new ATOM 0 HA3 GLY A 47 11.350 -0.449 3.528 1.00 54.23 H new ATOM 721 N GLU A 48 9.653 0.644 5.700 1.00 51.31 N ATOM 722 CA GLU A 48 8.364 0.853 6.372 1.00 31.21 C ATOM 723 C GLU A 48 7.810 2.266 6.101 1.00 75.23 C ATOM 724 O GLU A 48 6.599 2.461 5.965 1.00 64.23 O ATOM 725 CB GLU A 48 8.547 0.623 7.882 1.00 10.40 C ATOM 726 CG GLU A 48 7.285 0.812 8.716 1.00 40.21 C ATOM 727 CD GLU A 48 7.535 0.564 10.199 1.00 33.43 C ATOM 728 OE1 GLU A 48 8.065 1.473 10.878 1.00 24.23 O ATOM 729 OE2 GLU A 48 7.226 -0.546 10.683 1.00 2.15 O ATOM 0 H GLU A 48 10.412 0.389 6.332 1.00 51.31 H new ATOM 0 HA GLU A 48 7.639 0.142 5.976 1.00 31.21 H new ATOM 0 HB2 GLU A 48 8.920 -0.389 8.038 1.00 10.40 H new ATOM 0 HB3 GLU A 48 9.313 1.306 8.249 1.00 10.40 H new ATOM 0 HG2 GLU A 48 6.908 1.825 8.577 1.00 40.21 H new ATOM 0 HG3 GLU A 48 6.511 0.132 8.361 1.00 40.21 H new ATOM 736 N ARG A 49 8.710 3.249 6.010 1.00 1.11 N ATOM 737 CA ARG A 49 8.323 4.639 5.722 1.00 23.23 C ATOM 738 C ARG A 49 8.560 4.999 4.243 1.00 4.24 C ATOM 739 O ARG A 49 8.363 6.144 3.832 1.00 52.22 O ATOM 740 CB ARG A 49 9.108 5.606 6.623 1.00 4.55 C ATOM 741 CG ARG A 49 10.612 5.587 6.379 1.00 52.40 C ATOM 742 CD ARG A 49 11.342 6.615 7.233 1.00 43.34 C ATOM 743 NE ARG A 49 12.779 6.620 6.972 1.00 20.45 N ATOM 744 CZ ARG A 49 13.595 7.555 7.380 1.00 64.22 C ATOM 745 NH1 ARG A 49 13.154 8.581 8.040 1.00 10.14 N ATOM 746 NH2 ARG A 49 14.858 7.472 7.116 1.00 53.51 N ATOM 0 H ARG A 49 9.713 3.111 6.131 1.00 1.11 H new ATOM 0 HA ARG A 49 7.257 4.733 5.927 1.00 23.23 H new ATOM 0 HB2 ARG A 49 8.736 6.618 6.465 1.00 4.55 H new ATOM 0 HB3 ARG A 49 8.915 5.354 7.666 1.00 4.55 H new ATOM 0 HG2 ARG A 49 11.002 4.593 6.596 1.00 52.40 H new ATOM 0 HG3 ARG A 49 10.811 5.784 5.326 1.00 52.40 H new ATOM 0 HD2 ARG A 49 10.934 7.606 7.035 1.00 43.34 H new ATOM 0 HD3 ARG A 49 11.165 6.402 8.287 1.00 43.34 H new ATOM 0 HE ARG A 49 13.170 5.844 6.437 1.00 20.45 H new ATOM 0 HH11 ARG A 49 12.159 8.665 8.247 1.00 10.14 H new ATOM 0 HH12 ARG A 49 13.803 9.304 8.352 1.00 10.14 H new ATOM 0 HH21 ARG A 49 15.218 6.676 6.589 1.00 53.51 H new ATOM 0 HH22 ARG A 49 15.495 8.202 7.435 1.00 53.51 H new ATOM 760 N CYS A 50 8.983 4.017 3.449 1.00 61.22 N ATOM 761 CA CYS A 50 9.263 4.235 2.022 1.00 72.32 C ATOM 762 C CYS A 50 8.842 3.020 1.181 1.00 31.53 C ATOM 763 O CYS A 50 9.670 2.169 0.837 1.00 14.52 O ATOM 764 CB CYS A 50 10.752 4.541 1.805 1.00 33.31 C ATOM 765 SG CYS A 50 11.326 6.042 2.640 1.00 1.40 S ATOM 0 H CYS A 50 9.141 3.060 3.765 1.00 61.22 H new ATOM 0 HA CYS A 50 8.677 5.094 1.695 1.00 72.32 H new ATOM 0 HB2 CYS A 50 11.341 3.694 2.157 1.00 33.31 H new ATOM 0 HB3 CYS A 50 10.940 4.638 0.736 1.00 33.31 H new ATOM 0 HG CYS A 50 10.316 6.643 3.195 1.00 1.40 H new ATOM 771 N PRO A 51 7.543 2.929 0.831 1.00 70.53 N ATOM 772 CA PRO A 51 6.983 1.773 0.099 1.00 41.23 C ATOM 773 C PRO A 51 7.659 1.532 -1.266 1.00 14.23 C ATOM 774 O PRO A 51 7.670 0.408 -1.778 1.00 31.25 O ATOM 775 CB PRO A 51 5.499 2.143 -0.079 1.00 1.51 C ATOM 776 CG PRO A 51 5.439 3.622 0.117 1.00 30.30 C ATOM 777 CD PRO A 51 6.512 3.943 1.118 1.00 51.23 C ATOM 0 HA PRO A 51 7.141 0.842 0.643 1.00 41.23 H new ATOM 0 HB2 PRO A 51 5.139 1.862 -1.069 1.00 1.51 H new ATOM 0 HB3 PRO A 51 4.874 1.624 0.647 1.00 1.51 H new ATOM 0 HG2 PRO A 51 5.609 4.149 -0.822 1.00 30.30 H new ATOM 0 HG3 PRO A 51 4.459 3.929 0.482 1.00 30.30 H new ATOM 0 HD2 PRO A 51 6.894 4.956 0.990 1.00 51.23 H new ATOM 0 HD3 PRO A 51 6.145 3.868 2.142 1.00 51.23 H new ATOM 785 N GLN A 52 8.237 2.588 -1.842 1.00 21.52 N ATOM 786 CA GLN A 52 8.952 2.485 -3.123 1.00 63.44 C ATOM 787 C GLN A 52 10.094 1.452 -3.058 1.00 64.35 C ATOM 788 O GLN A 52 10.473 0.869 -4.073 1.00 44.34 O ATOM 789 CB GLN A 52 9.523 3.853 -3.525 1.00 23.44 C ATOM 790 CG GLN A 52 10.555 4.403 -2.541 1.00 30.13 C ATOM 791 CD GLN A 52 11.205 5.694 -3.018 1.00 75.31 C ATOM 792 OE1 GLN A 52 10.597 6.488 -3.724 1.00 63.42 O ATOM 793 NE2 GLN A 52 12.450 5.909 -2.642 1.00 31.41 N ATOM 0 H GLN A 52 8.226 3.527 -1.444 1.00 21.52 H new ATOM 0 HA GLN A 52 8.233 2.152 -3.871 1.00 63.44 H new ATOM 0 HB2 GLN A 52 9.982 3.770 -4.510 1.00 23.44 H new ATOM 0 HB3 GLN A 52 8.704 4.566 -3.615 1.00 23.44 H new ATOM 0 HG2 GLN A 52 10.073 4.579 -1.579 1.00 30.13 H new ATOM 0 HG3 GLN A 52 11.328 3.653 -2.377 1.00 30.13 H new ATOM 0 HE21 GLN A 52 12.930 5.228 -2.053 1.00 31.41 H new ATOM 0 HE22 GLN A 52 12.934 6.756 -2.940 1.00 31.41 H new ATOM 802 N SER A 53 10.640 1.236 -1.861 1.00 43.31 N ATOM 803 CA SER A 53 11.761 0.297 -1.672 1.00 13.31 C ATOM 804 C SER A 53 11.272 -1.156 -1.540 1.00 11.21 C ATOM 805 O SER A 53 12.059 -2.099 -1.616 1.00 74.42 O ATOM 806 CB SER A 53 12.577 0.692 -0.428 1.00 51.31 C ATOM 807 OG SER A 53 13.767 -0.073 -0.317 1.00 23.55 O ATOM 0 H SER A 53 10.329 1.695 -1.005 1.00 43.31 H new ATOM 0 HA SER A 53 12.394 0.356 -2.557 1.00 13.31 H new ATOM 0 HB2 SER A 53 12.829 1.751 -0.479 1.00 51.31 H new ATOM 0 HB3 SER A 53 11.969 0.551 0.466 1.00 51.31 H new ATOM 0 HG SER A 53 13.648 -0.931 -0.775 1.00 23.55 H new ATOM 813 N VAL A 54 9.967 -1.334 -1.340 1.00 12.13 N ATOM 814 CA VAL A 54 9.376 -2.672 -1.209 1.00 35.25 C ATOM 815 C VAL A 54 8.751 -3.143 -2.535 1.00 33.52 C ATOM 816 O VAL A 54 8.840 -4.319 -2.898 1.00 64.22 O ATOM 817 CB VAL A 54 8.297 -2.699 -0.098 1.00 52.33 C ATOM 818 CG1 VAL A 54 7.743 -4.111 0.092 1.00 11.20 C ATOM 819 CG2 VAL A 54 8.854 -2.148 1.217 1.00 12.20 C ATOM 0 H VAL A 54 9.295 -0.570 -1.265 1.00 12.13 H new ATOM 0 HA VAL A 54 10.185 -3.351 -0.940 1.00 35.25 H new ATOM 0 HB VAL A 54 7.475 -2.056 -0.411 1.00 52.33 H new ATOM 0 HG11 VAL A 54 6.987 -4.103 0.878 1.00 11.20 H new ATOM 0 HG12 VAL A 54 7.294 -4.454 -0.840 1.00 11.20 H new ATOM 0 HG13 VAL A 54 8.552 -4.784 0.374 1.00 11.20 H new ATOM 0 HG21 VAL A 54 8.078 -2.177 1.982 1.00 12.20 H new ATOM 0 HG22 VAL A 54 9.701 -2.755 1.536 1.00 12.20 H new ATOM 0 HG23 VAL A 54 9.181 -1.118 1.071 1.00 12.20 H new ATOM 829 N GLY A 55 8.120 -2.217 -3.256 1.00 12.33 N ATOM 830 CA GLY A 55 7.478 -2.555 -4.523 1.00 52.44 C ATOM 831 C GLY A 55 6.008 -2.928 -4.357 1.00 75.14 C ATOM 832 O GLY A 55 5.137 -2.055 -4.365 1.00 54.21 O ATOM 0 H GLY A 55 8.040 -1.236 -2.987 1.00 12.33 H new ATOM 0 HA2 GLY A 55 7.559 -1.708 -5.204 1.00 52.44 H new ATOM 0 HA3 GLY A 55 8.010 -3.387 -4.985 1.00 52.44 H new ATOM 836 N TRP A 56 5.731 -4.221 -4.207 1.00 21.20 N ATOM 837 CA TRP A 56 4.365 -4.703 -3.968 1.00 31.54 C ATOM 838 C TRP A 56 4.096 -4.844 -2.462 1.00 50.11 C ATOM 839 O TRP A 56 4.947 -5.327 -1.711 1.00 15.45 O ATOM 840 CB TRP A 56 4.131 -6.045 -4.687 1.00 72.44 C ATOM 841 CG TRP A 56 5.013 -7.164 -4.205 1.00 5.53 C ATOM 842 CD1 TRP A 56 6.292 -7.435 -4.603 1.00 70.02 C ATOM 843 CD2 TRP A 56 4.671 -8.172 -3.242 1.00 45.41 C ATOM 844 NE1 TRP A 56 6.769 -8.538 -3.938 1.00 43.42 N ATOM 845 CE2 TRP A 56 5.792 -9.011 -3.101 1.00 71.24 C ATOM 846 CE3 TRP A 56 3.527 -8.444 -2.486 1.00 22.21 C ATOM 847 CZ2 TRP A 56 5.801 -10.099 -2.232 1.00 61.34 C ATOM 848 CZ3 TRP A 56 3.537 -9.524 -1.626 1.00 74.13 C ATOM 849 CH2 TRP A 56 4.668 -10.342 -1.507 1.00 60.43 C ATOM 0 H TRP A 56 6.434 -4.959 -4.246 1.00 21.20 H new ATOM 0 HA TRP A 56 3.668 -3.970 -4.373 1.00 31.54 H new ATOM 0 HB2 TRP A 56 3.089 -6.337 -4.557 1.00 72.44 H new ATOM 0 HB3 TRP A 56 4.292 -5.905 -5.756 1.00 72.44 H new ATOM 0 HD1 TRP A 56 6.847 -6.865 -5.334 1.00 70.02 H new ATOM 0 HE1 TRP A 56 7.700 -8.940 -4.049 1.00 43.42 H new ATOM 0 HE3 TRP A 56 2.650 -7.820 -2.573 1.00 22.21 H new ATOM 0 HZ2 TRP A 56 6.673 -10.729 -2.134 1.00 61.34 H new ATOM 0 HZ3 TRP A 56 2.659 -9.742 -1.036 1.00 74.13 H new ATOM 0 HH2 TRP A 56 4.644 -11.182 -0.828 1.00 60.43 H new ATOM 860 N MET A 57 2.922 -4.404 -2.016 1.00 72.44 N ATOM 861 CA MET A 57 2.583 -4.410 -0.586 1.00 13.20 C ATOM 862 C MET A 57 1.122 -4.834 -0.343 1.00 50.02 C ATOM 863 O MET A 57 0.202 -4.303 -0.962 1.00 73.05 O ATOM 864 CB MET A 57 2.821 -3.014 0.009 1.00 45.31 C ATOM 865 CG MET A 57 4.261 -2.528 -0.118 1.00 15.43 C ATOM 866 SD MET A 57 4.474 -0.817 0.403 1.00 10.44 S ATOM 867 CE MET A 57 3.917 -0.891 2.104 1.00 44.12 C ATOM 0 H MET A 57 2.186 -4.038 -2.620 1.00 72.44 H new ATOM 0 HA MET A 57 3.227 -5.140 -0.096 1.00 13.20 H new ATOM 0 HB2 MET A 57 2.162 -2.301 -0.486 1.00 45.31 H new ATOM 0 HB3 MET A 57 2.543 -3.026 1.063 1.00 45.31 H new ATOM 0 HG2 MET A 57 4.909 -3.168 0.481 1.00 15.43 H new ATOM 0 HG3 MET A 57 4.583 -2.629 -1.154 1.00 15.43 H new ATOM 0 HE1 MET A 57 4.496 -0.192 2.707 1.00 44.12 H new ATOM 0 HE2 MET A 57 2.861 -0.625 2.153 1.00 44.12 H new ATOM 0 HE3 MET A 57 4.054 -1.902 2.488 1.00 44.12 H new ATOM 877 N PRO A 58 0.891 -5.809 0.556 1.00 70.54 N ATOM 878 CA PRO A 58 -0.466 -6.216 0.950 1.00 4.24 C ATOM 879 C PRO A 58 -1.120 -5.233 1.941 1.00 62.10 C ATOM 880 O PRO A 58 -0.626 -5.036 3.052 1.00 23.12 O ATOM 881 CB PRO A 58 -0.237 -7.578 1.616 1.00 44.33 C ATOM 882 CG PRO A 58 1.144 -7.491 2.175 1.00 61.22 C ATOM 883 CD PRO A 58 1.925 -6.613 1.231 1.00 63.43 C ATOM 0 HA PRO A 58 -1.147 -6.244 0.099 1.00 4.24 H new ATOM 0 HB2 PRO A 58 -0.971 -7.766 2.399 1.00 44.33 H new ATOM 0 HB3 PRO A 58 -0.324 -8.392 0.896 1.00 44.33 H new ATOM 0 HG2 PRO A 58 1.131 -7.068 3.180 1.00 61.22 H new ATOM 0 HG3 PRO A 58 1.596 -8.480 2.251 1.00 61.22 H new ATOM 0 HD2 PRO A 58 2.635 -5.982 1.767 1.00 63.43 H new ATOM 0 HD3 PRO A 58 2.499 -7.205 0.518 1.00 63.43 H new ATOM 891 N GLY A 59 -2.230 -4.618 1.534 1.00 3.40 N ATOM 892 CA GLY A 59 -2.934 -3.683 2.413 1.00 14.41 C ATOM 893 C GLY A 59 -4.435 -3.610 2.148 1.00 25.23 C ATOM 894 O GLY A 59 -4.963 -4.334 1.298 1.00 74.44 O ATOM 0 H GLY A 59 -2.656 -4.747 0.616 1.00 3.40 H new ATOM 0 HA2 GLY A 59 -2.770 -3.978 3.449 1.00 14.41 H new ATOM 0 HA3 GLY A 59 -2.503 -2.689 2.292 1.00 14.41 H new ATOM 898 N LEU A 60 -5.126 -2.742 2.886 1.00 13.01 N ATOM 899 CA LEU A 60 -6.572 -2.551 2.722 1.00 25.31 C ATOM 900 C LEU A 60 -6.888 -1.161 2.146 1.00 1.40 C ATOM 901 O LEU A 60 -6.612 -0.140 2.774 1.00 74.13 O ATOM 902 CB LEU A 60 -7.288 -2.734 4.070 1.00 72.13 C ATOM 903 CG LEU A 60 -8.817 -2.545 4.038 1.00 15.34 C ATOM 904 CD1 LEU A 60 -9.473 -3.573 3.118 1.00 15.42 C ATOM 905 CD2 LEU A 60 -9.402 -2.624 5.447 1.00 43.41 C ATOM 0 H LEU A 60 -4.707 -2.156 3.608 1.00 13.01 H new ATOM 0 HA LEU A 60 -6.932 -3.302 2.018 1.00 25.31 H new ATOM 0 HB2 LEU A 60 -7.070 -3.734 4.445 1.00 72.13 H new ATOM 0 HB3 LEU A 60 -6.867 -2.027 4.785 1.00 72.13 H new ATOM 0 HG LEU A 60 -9.028 -1.553 3.639 1.00 15.34 H new ATOM 0 HD11 LEU A 60 -10.552 -3.420 3.112 1.00 15.42 H new ATOM 0 HD12 LEU A 60 -9.084 -3.457 2.106 1.00 15.42 H new ATOM 0 HD13 LEU A 60 -9.251 -4.578 3.478 1.00 15.42 H new ATOM 0 HD21 LEU A 60 -10.482 -2.488 5.401 1.00 43.41 H new ATOM 0 HD22 LEU A 60 -9.177 -3.599 5.880 1.00 43.41 H new ATOM 0 HD23 LEU A 60 -8.964 -1.842 6.067 1.00 43.41 H new ATOM 917 N ASN A 61 -7.461 -1.134 0.948 1.00 44.43 N ATOM 918 CA ASN A 61 -7.870 0.119 0.304 1.00 43.40 C ATOM 919 C ASN A 61 -9.177 0.651 0.921 1.00 53.54 C ATOM 920 O ASN A 61 -10.119 -0.106 1.125 1.00 62.04 O ATOM 921 CB ASN A 61 -8.047 -0.119 -1.199 1.00 33.43 C ATOM 922 CG ASN A 61 -8.472 1.127 -1.946 1.00 43.20 C ATOM 923 OD1 ASN A 61 -9.656 1.406 -2.082 1.00 10.40 O ATOM 924 ND2 ASN A 61 -7.518 1.879 -2.444 1.00 52.11 N ATOM 0 H ASN A 61 -7.656 -1.969 0.396 1.00 44.43 H new ATOM 0 HA ASN A 61 -7.096 0.869 0.464 1.00 43.40 H new ATOM 0 HB2 ASN A 61 -7.109 -0.485 -1.617 1.00 33.43 H new ATOM 0 HB3 ASN A 61 -8.791 -0.901 -1.353 1.00 33.43 H new ATOM 0 HD21 ASN A 61 -7.754 2.725 -2.963 1.00 52.11 H new ATOM 0 HD22 ASN A 61 -6.541 1.617 -2.312 1.00 52.11 H new ATOM 931 N GLU A 62 -9.238 1.949 1.211 1.00 51.21 N ATOM 932 CA GLU A 62 -10.421 2.541 1.859 1.00 71.33 C ATOM 933 C GLU A 62 -11.527 2.909 0.855 1.00 70.54 C ATOM 934 O GLU A 62 -12.714 2.715 1.133 1.00 11.24 O ATOM 935 CB GLU A 62 -10.024 3.784 2.673 1.00 52.41 C ATOM 936 CG GLU A 62 -9.217 3.474 3.931 1.00 43.02 C ATOM 937 CD GLU A 62 -10.014 2.694 4.968 1.00 43.01 C ATOM 938 OE1 GLU A 62 -10.729 3.322 5.782 1.00 2.51 O ATOM 939 OE2 GLU A 62 -9.939 1.452 4.976 1.00 74.42 O ATOM 0 H GLU A 62 -8.490 2.613 1.011 1.00 51.21 H new ATOM 0 HA GLU A 62 -10.825 1.778 2.524 1.00 71.33 H new ATOM 0 HB2 GLU A 62 -9.443 4.451 2.037 1.00 52.41 H new ATOM 0 HB3 GLU A 62 -10.928 4.322 2.958 1.00 52.41 H new ATOM 0 HG2 GLU A 62 -8.330 2.903 3.656 1.00 43.02 H new ATOM 0 HG3 GLU A 62 -8.870 4.408 4.374 1.00 43.02 H new ATOM 946 N ARG A 63 -11.149 3.447 -0.306 1.00 12.02 N ATOM 947 CA ARG A 63 -12.134 3.930 -1.286 1.00 75.12 C ATOM 948 C ARG A 63 -12.954 2.780 -1.899 1.00 44.21 C ATOM 949 O ARG A 63 -14.113 2.961 -2.271 1.00 42.42 O ATOM 950 CB ARG A 63 -11.431 4.725 -2.396 1.00 12.11 C ATOM 951 CG ARG A 63 -12.386 5.487 -3.309 1.00 1.12 C ATOM 952 CD ARG A 63 -11.647 6.306 -4.364 1.00 41.42 C ATOM 953 NE ARG A 63 -12.562 7.174 -5.105 1.00 20.42 N ATOM 954 CZ ARG A 63 -12.308 7.692 -6.274 1.00 25.20 C ATOM 955 NH1 ARG A 63 -11.191 7.453 -6.876 1.00 20.33 N ATOM 956 NH2 ARG A 63 -13.175 8.458 -6.845 1.00 61.30 N ATOM 0 H ARG A 63 -10.177 3.560 -0.593 1.00 12.02 H new ATOM 0 HA ARG A 63 -12.829 4.581 -0.755 1.00 75.12 H new ATOM 0 HB2 ARG A 63 -10.738 5.432 -1.940 1.00 12.11 H new ATOM 0 HB3 ARG A 63 -10.836 4.040 -3.000 1.00 12.11 H new ATOM 0 HG2 ARG A 63 -13.055 4.781 -3.802 1.00 1.12 H new ATOM 0 HG3 ARG A 63 -13.009 6.150 -2.708 1.00 1.12 H new ATOM 0 HD2 ARG A 63 -10.878 6.911 -3.884 1.00 41.42 H new ATOM 0 HD3 ARG A 63 -11.138 5.635 -5.057 1.00 41.42 H new ATOM 0 HE ARG A 63 -13.462 7.389 -4.677 1.00 20.42 H new ATOM 0 HH11 ARG A 63 -10.494 6.852 -6.437 1.00 20.33 H new ATOM 0 HH12 ARG A 63 -11.006 7.865 -7.790 1.00 20.33 H new ATOM 0 HH21 ARG A 63 -14.061 8.659 -6.382 1.00 61.30 H new ATOM 0 HH22 ARG A 63 -12.974 8.862 -7.760 1.00 61.30 H new ATOM 970 N THR A 64 -12.347 1.602 -2.006 1.00 11.40 N ATOM 971 CA THR A 64 -13.017 0.424 -2.583 1.00 12.14 C ATOM 972 C THR A 64 -13.216 -0.687 -1.545 1.00 60.23 C ATOM 973 O THR A 64 -14.152 -1.482 -1.650 1.00 52.40 O ATOM 974 CB THR A 64 -12.209 -0.166 -3.762 1.00 24.14 C ATOM 975 OG1 THR A 64 -10.964 -0.700 -3.283 1.00 1.24 O ATOM 976 CG2 THR A 64 -11.936 0.895 -4.826 1.00 52.02 C ATOM 0 H THR A 64 -11.389 1.430 -1.702 1.00 11.40 H new ATOM 0 HA THR A 64 -13.988 0.775 -2.934 1.00 12.14 H new ATOM 0 HB THR A 64 -12.800 -0.963 -4.213 1.00 24.14 H new ATOM 0 HG1 THR A 64 -10.524 -0.039 -2.709 1.00 1.24 H new ATOM 0 HG21 THR A 64 -11.366 0.453 -5.643 1.00 52.02 H new ATOM 0 HG22 THR A 64 -12.882 1.278 -5.209 1.00 52.02 H new ATOM 0 HG23 THR A 64 -11.365 1.713 -4.386 1.00 52.02 H new ATOM 984 N ARG A 65 -12.323 -0.741 -0.554 1.00 44.24 N ATOM 985 CA ARG A 65 -12.337 -1.791 0.478 1.00 25.10 C ATOM 986 C ARG A 65 -12.077 -3.185 -0.110 1.00 60.31 C ATOM 987 O ARG A 65 -12.510 -4.198 0.438 1.00 41.12 O ATOM 988 CB ARG A 65 -13.640 -1.749 1.299 1.00 12.52 C ATOM 989 CG ARG A 65 -13.599 -0.709 2.419 1.00 41.14 C ATOM 990 CD ARG A 65 -12.509 -1.044 3.441 1.00 33.02 C ATOM 991 NE ARG A 65 -12.291 0.028 4.411 1.00 61.04 N ATOM 992 CZ ARG A 65 -12.785 0.047 5.618 1.00 23.41 C ATOM 993 NH1 ARG A 65 -13.561 -0.905 6.034 1.00 53.13 N ATOM 994 NH2 ARG A 65 -12.480 1.018 6.413 1.00 12.12 N ATOM 0 H ARG A 65 -11.570 -0.062 -0.441 1.00 44.24 H new ATOM 0 HA ARG A 65 -11.512 -1.584 1.160 1.00 25.10 H new ATOM 0 HB2 ARG A 65 -14.476 -1.529 0.635 1.00 12.52 H new ATOM 0 HB3 ARG A 65 -13.825 -2.733 1.729 1.00 12.52 H new ATOM 0 HG2 ARG A 65 -13.415 0.279 1.996 1.00 41.14 H new ATOM 0 HG3 ARG A 65 -14.568 -0.667 2.916 1.00 41.14 H new ATOM 0 HD2 ARG A 65 -12.782 -1.957 3.971 1.00 33.02 H new ATOM 0 HD3 ARG A 65 -11.576 -1.248 2.916 1.00 33.02 H new ATOM 0 HE ARG A 65 -11.712 0.817 4.124 1.00 61.04 H new ATOM 0 HH11 ARG A 65 -13.792 -1.682 5.415 1.00 53.13 H new ATOM 0 HH12 ARG A 65 -13.940 -0.877 6.981 1.00 53.13 H new ATOM 0 HH21 ARG A 65 -11.858 1.761 6.095 1.00 12.12 H new ATOM 0 HH22 ARG A 65 -12.861 1.042 7.359 1.00 12.12 H new ATOM 1008 N GLN A 66 -11.327 -3.224 -1.208 1.00 21.34 N ATOM 1009 CA GLN A 66 -10.871 -4.488 -1.794 1.00 5.00 C ATOM 1010 C GLN A 66 -9.504 -4.901 -1.229 1.00 33.12 C ATOM 1011 O GLN A 66 -8.649 -4.054 -0.952 1.00 41.12 O ATOM 1012 CB GLN A 66 -10.796 -4.370 -3.324 1.00 61.11 C ATOM 1013 CG GLN A 66 -12.163 -4.318 -4.000 1.00 2.12 C ATOM 1014 CD GLN A 66 -12.932 -5.623 -3.862 1.00 13.12 C ATOM 1015 OE1 GLN A 66 -12.348 -6.703 -3.805 1.00 4.13 O ATOM 1016 NE2 GLN A 66 -14.245 -5.538 -3.807 1.00 53.32 N ATOM 0 H GLN A 66 -11.020 -2.393 -1.714 1.00 21.34 H new ATOM 0 HA GLN A 66 -11.594 -5.260 -1.531 1.00 5.00 H new ATOM 0 HB2 GLN A 66 -10.237 -3.471 -3.584 1.00 61.11 H new ATOM 0 HB3 GLN A 66 -10.237 -5.218 -3.719 1.00 61.11 H new ATOM 0 HG2 GLN A 66 -12.749 -3.508 -3.566 1.00 2.12 H new ATOM 0 HG3 GLN A 66 -12.033 -4.087 -5.057 1.00 2.12 H new ATOM 0 HE21 GLN A 66 -14.700 -4.626 -3.857 1.00 53.32 H new ATOM 0 HE22 GLN A 66 -14.807 -6.384 -3.714 1.00 53.32 H new ATOM 1025 N ARG A 67 -9.309 -6.204 -1.046 1.00 71.41 N ATOM 1026 CA ARG A 67 -8.031 -6.742 -0.562 1.00 52.42 C ATOM 1027 C ARG A 67 -7.137 -7.219 -1.717 1.00 21.15 C ATOM 1028 O ARG A 67 -7.592 -7.407 -2.848 1.00 53.04 O ATOM 1029 CB ARG A 67 -8.274 -7.886 0.439 1.00 5.41 C ATOM 1030 CG ARG A 67 -8.356 -7.427 1.895 1.00 2.21 C ATOM 1031 CD ARG A 67 -6.994 -6.974 2.416 1.00 65.24 C ATOM 1032 NE ARG A 67 -6.019 -8.068 2.391 1.00 75.41 N ATOM 1033 CZ ARG A 67 -4.856 -8.020 1.799 1.00 12.03 C ATOM 1034 NH1 ARG A 67 -4.442 -6.935 1.226 1.00 73.52 N ATOM 1035 NH2 ARG A 67 -4.097 -9.064 1.802 1.00 33.11 N ATOM 0 H ARG A 67 -10.020 -6.913 -1.225 1.00 71.41 H new ATOM 0 HA ARG A 67 -7.506 -5.933 -0.055 1.00 52.42 H new ATOM 0 HB2 ARG A 67 -9.201 -8.395 0.176 1.00 5.41 H new ATOM 0 HB3 ARG A 67 -7.471 -8.617 0.343 1.00 5.41 H new ATOM 0 HG2 ARG A 67 -9.070 -6.608 1.980 1.00 2.21 H new ATOM 0 HG3 ARG A 67 -8.731 -8.242 2.514 1.00 2.21 H new ATOM 0 HD2 ARG A 67 -6.628 -6.145 1.810 1.00 65.24 H new ATOM 0 HD3 ARG A 67 -7.098 -6.601 3.435 1.00 65.24 H new ATOM 0 HE ARG A 67 -6.268 -8.932 2.872 1.00 75.41 H new ATOM 0 HH11 ARG A 67 -5.027 -6.100 1.232 1.00 73.52 H new ATOM 0 HH12 ARG A 67 -3.531 -6.916 0.768 1.00 73.52 H new ATOM 0 HH21 ARG A 67 -4.407 -9.919 2.265 1.00 33.11 H new ATOM 0 HH22 ARG A 67 -3.187 -9.034 1.342 1.00 33.11 H new ATOM 1049 N GLY A 68 -5.859 -7.415 -1.407 1.00 12.42 N ATOM 1050 CA GLY A 68 -4.875 -7.789 -2.413 1.00 13.53 C ATOM 1051 C GLY A 68 -3.546 -7.067 -2.213 1.00 74.12 C ATOM 1052 O GLY A 68 -3.302 -6.476 -1.154 1.00 73.03 O ATOM 0 H GLY A 68 -5.482 -7.320 -0.464 1.00 12.42 H new ATOM 0 HA2 GLY A 68 -4.711 -8.866 -2.376 1.00 13.53 H new ATOM 0 HA3 GLY A 68 -5.266 -7.560 -3.404 1.00 13.53 H new ATOM 1056 N ASP A 69 -2.687 -7.110 -3.224 1.00 4.22 N ATOM 1057 CA ASP A 69 -1.382 -6.445 -3.166 1.00 32.03 C ATOM 1058 C ASP A 69 -1.359 -5.208 -4.077 1.00 65.43 C ATOM 1059 O ASP A 69 -1.791 -5.269 -5.229 1.00 73.15 O ATOM 1060 CB ASP A 69 -0.282 -7.424 -3.582 1.00 53.20 C ATOM 1061 CG ASP A 69 -0.351 -8.722 -2.798 1.00 44.42 C ATOM 1062 OD1 ASP A 69 0.033 -8.729 -1.610 1.00 11.11 O ATOM 1063 OD2 ASP A 69 -0.812 -9.739 -3.355 1.00 73.31 O ATOM 0 H ASP A 69 -2.868 -7.600 -4.100 1.00 4.22 H new ATOM 0 HA ASP A 69 -1.205 -6.118 -2.141 1.00 32.03 H new ATOM 0 HB2 ASP A 69 -0.371 -7.638 -4.647 1.00 53.20 H new ATOM 0 HB3 ASP A 69 0.693 -6.960 -3.431 1.00 53.20 H new ATOM 1068 N PHE A 70 -0.864 -4.089 -3.554 1.00 33.20 N ATOM 1069 CA PHE A 70 -0.777 -2.845 -4.329 1.00 52.13 C ATOM 1070 C PHE A 70 0.682 -2.377 -4.468 1.00 11.44 C ATOM 1071 O PHE A 70 1.501 -2.596 -3.575 1.00 73.22 O ATOM 1072 CB PHE A 70 -1.627 -1.740 -3.675 1.00 34.31 C ATOM 1073 CG PHE A 70 -1.113 -1.258 -2.333 1.00 30.02 C ATOM 1074 CD1 PHE A 70 -1.481 -1.901 -1.157 1.00 45.34 C ATOM 1075 CD2 PHE A 70 -0.268 -0.157 -2.249 1.00 21.01 C ATOM 1076 CE1 PHE A 70 -1.013 -1.459 0.068 1.00 43.32 C ATOM 1077 CE2 PHE A 70 0.200 0.287 -1.027 1.00 42.15 C ATOM 1078 CZ PHE A 70 -0.172 -0.365 0.132 1.00 14.40 C ATOM 0 H PHE A 70 -0.516 -4.014 -2.598 1.00 33.20 H new ATOM 0 HA PHE A 70 -1.167 -3.047 -5.327 1.00 52.13 H new ATOM 0 HB2 PHE A 70 -1.680 -0.890 -4.355 1.00 34.31 H new ATOM 0 HB3 PHE A 70 -2.644 -2.110 -3.548 1.00 34.31 H new ATOM 0 HD1 PHE A 70 -2.140 -2.756 -1.200 1.00 45.34 H new ATOM 0 HD2 PHE A 70 0.027 0.358 -3.151 1.00 21.01 H new ATOM 0 HE1 PHE A 70 -1.305 -1.969 0.974 1.00 43.32 H new ATOM 0 HE2 PHE A 70 0.856 1.143 -0.978 1.00 42.15 H new ATOM 0 HZ PHE A 70 0.194 -0.020 1.088 1.00 14.40 H new ATOM 1088 N PRO A 71 1.031 -1.734 -5.599 1.00 50.33 N ATOM 1089 CA PRO A 71 2.380 -1.187 -5.810 1.00 63.01 C ATOM 1090 C PRO A 71 2.630 0.104 -5.004 1.00 42.23 C ATOM 1091 O PRO A 71 2.163 1.188 -5.371 1.00 61.04 O ATOM 1092 CB PRO A 71 2.411 -0.912 -7.317 1.00 33.43 C ATOM 1093 CG PRO A 71 0.987 -0.649 -7.680 1.00 72.44 C ATOM 1094 CD PRO A 71 0.150 -1.506 -6.764 1.00 24.13 C ATOM 0 HA PRO A 71 3.159 -1.871 -5.473 1.00 63.01 H new ATOM 0 HB2 PRO A 71 3.044 -0.056 -7.551 1.00 33.43 H new ATOM 0 HB3 PRO A 71 2.810 -1.764 -7.868 1.00 33.43 H new ATOM 0 HG2 PRO A 71 0.743 0.406 -7.556 1.00 72.44 H new ATOM 0 HG3 PRO A 71 0.800 -0.899 -8.724 1.00 72.44 H new ATOM 0 HD2 PRO A 71 -0.773 -1.002 -6.476 1.00 24.13 H new ATOM 0 HD3 PRO A 71 -0.134 -2.444 -7.241 1.00 24.13 H new ATOM 1102 N GLY A 72 3.382 -0.020 -3.910 1.00 73.34 N ATOM 1103 CA GLY A 72 3.634 1.108 -3.012 1.00 50.34 C ATOM 1104 C GLY A 72 4.337 2.299 -3.670 1.00 63.34 C ATOM 1105 O GLY A 72 4.355 3.397 -3.119 1.00 62.53 O ATOM 0 H GLY A 72 3.828 -0.892 -3.624 1.00 73.34 H new ATOM 0 HA2 GLY A 72 2.684 1.446 -2.599 1.00 50.34 H new ATOM 0 HA3 GLY A 72 4.240 0.761 -2.175 1.00 50.34 H new ATOM 1109 N THR A 73 4.910 2.088 -4.851 1.00 31.12 N ATOM 1110 CA THR A 73 5.607 3.165 -5.580 1.00 22.43 C ATOM 1111 C THR A 73 4.672 4.328 -5.967 1.00 63.33 C ATOM 1112 O THR A 73 5.135 5.429 -6.263 1.00 62.51 O ATOM 1113 CB THR A 73 6.310 2.632 -6.859 1.00 4.32 C ATOM 1114 OG1 THR A 73 6.785 3.720 -7.673 1.00 62.21 O ATOM 1115 CG2 THR A 73 5.373 1.753 -7.681 1.00 21.23 C ATOM 0 H THR A 73 4.911 1.187 -5.330 1.00 31.12 H new ATOM 0 HA THR A 73 6.356 3.546 -4.886 1.00 22.43 H new ATOM 0 HB THR A 73 7.159 2.030 -6.535 1.00 4.32 H new ATOM 0 HG1 THR A 73 6.288 4.535 -7.451 1.00 62.21 H new ATOM 0 HG21 THR A 73 5.895 1.396 -8.569 1.00 21.23 H new ATOM 0 HG22 THR A 73 5.053 0.901 -7.081 1.00 21.23 H new ATOM 0 HG23 THR A 73 4.500 2.333 -7.981 1.00 21.23 H new ATOM 1123 N TYR A 74 3.358 4.093 -5.963 1.00 35.14 N ATOM 1124 CA TYR A 74 2.389 5.144 -6.319 1.00 14.52 C ATOM 1125 C TYR A 74 1.747 5.789 -5.074 1.00 62.14 C ATOM 1126 O TYR A 74 0.870 6.647 -5.199 1.00 10.24 O ATOM 1127 CB TYR A 74 1.286 4.573 -7.225 1.00 12.12 C ATOM 1128 CG TYR A 74 1.797 3.944 -8.509 1.00 52.15 C ATOM 1129 CD1 TYR A 74 2.078 4.721 -9.630 1.00 53.55 C ATOM 1130 CD2 TYR A 74 1.995 2.571 -8.601 1.00 61.24 C ATOM 1131 CE1 TYR A 74 2.541 4.145 -10.799 1.00 13.32 C ATOM 1132 CE2 TYR A 74 2.459 1.991 -9.764 1.00 25.13 C ATOM 1133 CZ TYR A 74 2.730 2.780 -10.860 1.00 62.40 C ATOM 1134 OH TYR A 74 3.197 2.198 -12.019 1.00 75.20 O ATOM 0 H TYR A 74 2.939 3.195 -5.721 1.00 35.14 H new ATOM 0 HA TYR A 74 2.941 5.918 -6.852 1.00 14.52 H new ATOM 0 HB2 TYR A 74 0.724 3.825 -6.666 1.00 12.12 H new ATOM 0 HB3 TYR A 74 0.589 5.372 -7.478 1.00 12.12 H new ATOM 0 HD1 TYR A 74 1.932 5.790 -9.586 1.00 53.55 H new ATOM 0 HD2 TYR A 74 1.782 1.947 -7.746 1.00 61.24 H new ATOM 0 HE1 TYR A 74 2.754 4.761 -11.660 1.00 13.32 H new ATOM 0 HE2 TYR A 74 2.609 0.923 -9.815 1.00 25.13 H new ATOM 0 HH TYR A 74 3.274 1.229 -11.891 1.00 75.20 H new ATOM 1144 N VAL A 75 2.182 5.382 -3.877 1.00 41.12 N ATOM 1145 CA VAL A 75 1.603 5.904 -2.626 1.00 44.11 C ATOM 1146 C VAL A 75 2.661 6.589 -1.740 1.00 13.14 C ATOM 1147 O VAL A 75 3.864 6.353 -1.883 1.00 5.30 O ATOM 1148 CB VAL A 75 0.911 4.782 -1.799 1.00 72.31 C ATOM 1149 CG1 VAL A 75 -0.121 4.032 -2.639 1.00 60.23 C ATOM 1150 CG2 VAL A 75 1.937 3.812 -1.212 1.00 72.02 C ATOM 0 H VAL A 75 2.927 4.698 -3.744 1.00 41.12 H new ATOM 0 HA VAL A 75 0.860 6.642 -2.928 1.00 44.11 H new ATOM 0 HB VAL A 75 0.389 5.262 -0.971 1.00 72.31 H new ATOM 0 HG11 VAL A 75 -0.587 3.255 -2.034 1.00 60.23 H new ATOM 0 HG12 VAL A 75 -0.884 4.729 -2.985 1.00 60.23 H new ATOM 0 HG13 VAL A 75 0.371 3.576 -3.498 1.00 60.23 H new ATOM 0 HG21 VAL A 75 1.422 3.040 -0.640 1.00 72.02 H new ATOM 0 HG22 VAL A 75 2.503 3.348 -2.020 1.00 72.02 H new ATOM 0 HG23 VAL A 75 2.618 4.355 -0.557 1.00 72.02 H new ATOM 1160 N GLU A 76 2.199 7.443 -0.825 1.00 51.30 N ATOM 1161 CA GLU A 76 3.079 8.087 0.158 1.00 32.32 C ATOM 1162 C GLU A 76 2.784 7.574 1.578 1.00 55.10 C ATOM 1163 O GLU A 76 1.661 7.161 1.879 1.00 64.15 O ATOM 1164 CB GLU A 76 2.915 9.617 0.114 1.00 13.15 C ATOM 1165 CG GLU A 76 1.559 10.114 0.610 1.00 65.12 C ATOM 1166 CD GLU A 76 1.455 11.634 0.625 1.00 51.24 C ATOM 1167 OE1 GLU A 76 2.058 12.272 1.516 1.00 41.24 O ATOM 1168 OE2 GLU A 76 0.768 12.200 -0.251 1.00 73.54 O ATOM 0 H GLU A 76 1.217 7.707 -0.742 1.00 51.30 H new ATOM 0 HA GLU A 76 4.107 7.833 -0.100 1.00 32.32 H new ATOM 0 HB2 GLU A 76 3.700 10.073 0.717 1.00 13.15 H new ATOM 0 HB3 GLU A 76 3.062 9.958 -0.911 1.00 13.15 H new ATOM 0 HG2 GLU A 76 0.773 9.707 -0.027 1.00 65.12 H new ATOM 0 HG3 GLU A 76 1.383 9.733 1.616 1.00 65.12 H new ATOM 1175 N PHE A 77 3.791 7.601 2.446 1.00 52.54 N ATOM 1176 CA PHE A 77 3.625 7.161 3.836 1.00 34.30 C ATOM 1177 C PHE A 77 3.054 8.288 4.712 1.00 53.14 C ATOM 1178 O PHE A 77 3.755 9.245 5.041 1.00 0.40 O ATOM 1179 CB PHE A 77 4.969 6.679 4.402 1.00 50.44 C ATOM 1180 CG PHE A 77 4.904 6.213 5.838 1.00 61.40 C ATOM 1181 CD1 PHE A 77 4.257 5.032 6.170 1.00 73.22 C ATOM 1182 CD2 PHE A 77 5.490 6.957 6.853 1.00 20.22 C ATOM 1183 CE1 PHE A 77 4.198 4.601 7.481 1.00 4.34 C ATOM 1184 CE2 PHE A 77 5.432 6.529 8.166 1.00 14.10 C ATOM 1185 CZ PHE A 77 4.787 5.351 8.480 1.00 22.25 C ATOM 0 H PHE A 77 4.731 7.922 2.216 1.00 52.54 H new ATOM 0 HA PHE A 77 2.915 6.334 3.846 1.00 34.30 H new ATOM 0 HB2 PHE A 77 5.339 5.862 3.783 1.00 50.44 H new ATOM 0 HB3 PHE A 77 5.694 7.490 4.327 1.00 50.44 H new ATOM 0 HD1 PHE A 77 3.793 4.442 5.393 1.00 73.22 H new ATOM 0 HD2 PHE A 77 5.997 7.880 6.614 1.00 20.22 H new ATOM 0 HE1 PHE A 77 3.692 3.679 7.725 1.00 4.34 H new ATOM 0 HE2 PHE A 77 5.892 7.117 8.946 1.00 14.10 H new ATOM 0 HZ PHE A 77 4.743 5.016 9.506 1.00 22.25 H new ATOM 1195 N LEU A 78 1.781 8.170 5.085 1.00 11.33 N ATOM 1196 CA LEU A 78 1.131 9.173 5.935 1.00 74.43 C ATOM 1197 C LEU A 78 1.640 9.085 7.383 1.00 42.20 C ATOM 1198 O LEU A 78 2.083 10.078 7.962 1.00 2.40 O ATOM 1199 CB LEU A 78 -0.394 8.991 5.906 1.00 21.44 C ATOM 1200 CG LEU A 78 -1.049 9.128 4.523 1.00 3.03 C ATOM 1201 CD1 LEU A 78 -2.550 8.861 4.607 1.00 73.41 C ATOM 1202 CD2 LEU A 78 -0.776 10.510 3.931 1.00 52.45 C ATOM 0 H LEU A 78 1.178 7.393 4.814 1.00 11.33 H new ATOM 0 HA LEU A 78 1.381 10.158 5.541 1.00 74.43 H new ATOM 0 HB2 LEU A 78 -0.633 8.006 6.306 1.00 21.44 H new ATOM 0 HB3 LEU A 78 -0.843 9.724 6.576 1.00 21.44 H new ATOM 0 HG LEU A 78 -0.609 8.382 3.862 1.00 3.03 H new ATOM 0 HD11 LEU A 78 -2.994 8.963 3.617 1.00 73.41 H new ATOM 0 HD12 LEU A 78 -2.720 7.850 4.978 1.00 73.41 H new ATOM 0 HD13 LEU A 78 -3.010 9.579 5.287 1.00 73.41 H new ATOM 0 HD21 LEU A 78 -1.249 10.586 2.952 1.00 52.45 H new ATOM 0 HD22 LEU A 78 -1.184 11.276 4.591 1.00 52.45 H new ATOM 0 HD23 LEU A 78 0.299 10.655 3.827 1.00 52.45 H new ATOM 1214 N GLY A 79 1.566 7.887 7.958 1.00 32.01 N ATOM 1215 CA GLY A 79 2.027 7.675 9.327 1.00 63.20 C ATOM 1216 C GLY A 79 1.224 6.610 10.072 1.00 24.12 C ATOM 1217 O GLY A 79 0.366 5.949 9.482 1.00 42.24 O ATOM 0 H GLY A 79 1.194 7.054 7.501 1.00 32.01 H new ATOM 0 HA2 GLY A 79 3.077 7.383 9.309 1.00 63.20 H new ATOM 0 HA3 GLY A 79 1.967 8.616 9.874 1.00 63.20 H new ATOM 1221 N PRO A 80 1.501 6.407 11.378 1.00 24.54 N ATOM 1222 CA PRO A 80 0.751 5.466 12.227 1.00 54.44 C ATOM 1223 C PRO A 80 -0.597 6.041 12.702 1.00 15.10 C ATOM 1224 O PRO A 80 -0.835 7.246 12.612 1.00 43.32 O ATOM 1225 CB PRO A 80 1.695 5.231 13.430 1.00 41.31 C ATOM 1226 CG PRO A 80 2.953 5.992 13.126 1.00 30.34 C ATOM 1227 CD PRO A 80 2.577 7.057 12.135 1.00 70.22 C ATOM 0 HA PRO A 80 0.492 4.555 11.688 1.00 54.44 H new ATOM 0 HB2 PRO A 80 1.241 5.583 14.356 1.00 41.31 H new ATOM 0 HB3 PRO A 80 1.904 4.169 13.560 1.00 41.31 H new ATOM 0 HG2 PRO A 80 3.368 6.434 14.032 1.00 30.34 H new ATOM 0 HG3 PRO A 80 3.716 5.331 12.715 1.00 30.34 H new ATOM 0 HD2 PRO A 80 2.237 7.969 12.626 1.00 70.22 H new ATOM 0 HD3 PRO A 80 3.416 7.333 11.496 1.00 70.22 H new ATOM 1235 N LEU A 81 -1.478 5.176 13.207 1.00 50.53 N ATOM 1236 CA LEU A 81 -2.784 5.614 13.722 1.00 70.44 C ATOM 1237 C LEU A 81 -3.038 5.112 15.157 1.00 61.00 C ATOM 1238 O LEU A 81 -2.413 4.150 15.610 1.00 40.34 O ATOM 1239 CB LEU A 81 -3.911 5.166 12.766 1.00 55.02 C ATOM 1240 CG LEU A 81 -3.878 3.689 12.301 1.00 54.45 C ATOM 1241 CD1 LEU A 81 -4.233 2.730 13.434 1.00 13.45 C ATOM 1242 CD2 LEU A 81 -4.819 3.481 11.117 1.00 3.42 C ATOM 0 H LEU A 81 -1.316 4.171 13.272 1.00 50.53 H new ATOM 0 HA LEU A 81 -2.776 6.703 13.768 1.00 70.44 H new ATOM 0 HB2 LEU A 81 -4.867 5.347 13.257 1.00 55.02 H new ATOM 0 HB3 LEU A 81 -3.881 5.803 11.882 1.00 55.02 H new ATOM 0 HG LEU A 81 -2.858 3.467 11.988 1.00 54.45 H new ATOM 0 HD11 LEU A 81 -4.198 1.704 13.067 1.00 13.45 H new ATOM 0 HD12 LEU A 81 -3.518 2.848 14.248 1.00 13.45 H new ATOM 0 HD13 LEU A 81 -5.236 2.952 13.797 1.00 13.45 H new ATOM 0 HD21 LEU A 81 -4.784 2.438 10.803 1.00 3.42 H new ATOM 0 HD22 LEU A 81 -5.837 3.737 11.412 1.00 3.42 H new ATOM 0 HD23 LEU A 81 -4.510 4.120 10.290 1.00 3.42 H new