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= -0.498 K(o=0.062,f=-7.3!) USER MOD Set 1.2: A 64 THR OG1 : rot -64:sc= 0.56 USER MOD Single : A 8 GLN : amide:sc= -0.029 K(o=-0.029,f=-0.99) USER MOD Single : A 9 TYR OH : rot -168:sc=-0.00199 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 X(o=0,f=0) USER MOD Single : A 50 CYS SG : rot 180:sc= -0.262 USER MOD Single : A 52 GLN : amide:sc= -1.63 K(o=-1.6,f=-2.3) USER MOD Single : A 53 SER OG : rot -34:sc= 0.249 USER MOD Single : A 57 MET CE :methyl 139:sc= -0.218 (180deg=-0.523) USER MOD Single : A 66 GLN : amide:sc= -0.183 K(o=-0.18,f=-0.7) USER MOD Single : A 73 THR OG1 : rot -26:sc= 0.266 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 6 -0.953 -0.573 12.089 1.00 32.40 N ATOM 67 CA GLY A 6 -0.273 -0.403 10.807 1.00 15.30 C ATOM 68 C GLY A 6 -0.049 1.049 10.400 1.00 44.24 C ATOM 69 O GLY A 6 -0.210 1.973 11.202 1.00 2.40 O ATOM 0 HA2 GLY A 6 0.692 -0.908 10.852 1.00 15.30 H new ATOM 0 HA3 GLY A 6 -0.857 -0.899 10.031 1.00 15.30 H new ATOM 73 N PHE A 7 0.327 1.245 9.138 1.00 1.12 N ATOM 74 CA PHE A 7 0.563 2.583 8.586 1.00 4.51 C ATOM 75 C PHE A 7 -0.377 2.877 7.406 1.00 40.33 C ATOM 76 O PHE A 7 -0.756 1.976 6.658 1.00 5.23 O ATOM 77 CB PHE A 7 2.019 2.712 8.118 1.00 31.05 C ATOM 78 CG PHE A 7 3.042 2.499 9.207 1.00 45.35 C ATOM 79 CD1 PHE A 7 3.185 3.422 10.232 1.00 42.31 C ATOM 80 CD2 PHE A 7 3.868 1.382 9.200 1.00 2.42 C ATOM 81 CE1 PHE A 7 4.127 3.238 11.227 1.00 73.31 C ATOM 82 CE2 PHE A 7 4.810 1.195 10.192 1.00 4.41 C ATOM 83 CZ PHE A 7 4.939 2.123 11.206 1.00 32.30 C ATOM 0 H PHE A 7 0.477 0.488 8.471 1.00 1.12 H new ATOM 0 HA PHE A 7 0.363 3.306 9.377 1.00 4.51 H new ATOM 0 HB2 PHE A 7 2.198 1.990 7.321 1.00 31.05 H new ATOM 0 HB3 PHE A 7 2.164 3.703 7.688 1.00 31.05 H new ATOM 0 HD1 PHE A 7 2.552 4.297 10.253 1.00 42.31 H new ATOM 0 HD2 PHE A 7 3.772 0.652 8.410 1.00 2.42 H new ATOM 0 HE1 PHE A 7 4.227 3.966 12.019 1.00 73.31 H new ATOM 0 HE2 PHE A 7 5.446 0.322 10.175 1.00 4.41 H new ATOM 0 HZ PHE A 7 5.675 1.976 11.982 1.00 32.30 H new ATOM 93 N GLN A 8 -0.751 4.145 7.248 1.00 75.14 N ATOM 94 CA GLN A 8 -1.585 4.574 6.120 1.00 62.33 C ATOM 95 C GLN A 8 -0.722 5.053 4.938 1.00 42.22 C ATOM 96 O GLN A 8 0.224 5.826 5.116 1.00 51.44 O ATOM 97 CB GLN A 8 -2.527 5.706 6.552 1.00 41.51 C ATOM 98 CG GLN A 8 -3.482 5.324 7.678 1.00 65.34 C ATOM 99 CD GLN A 8 -4.462 6.437 8.012 1.00 71.11 C ATOM 100 OE1 GLN A 8 -5.550 6.509 7.456 1.00 45.20 O ATOM 101 NE2 GLN A 8 -4.084 7.317 8.919 1.00 3.23 N ATOM 0 H GLN A 8 -0.491 4.897 7.886 1.00 75.14 H new ATOM 0 HA GLN A 8 -2.171 3.713 5.798 1.00 62.33 H new ATOM 0 HB2 GLN A 8 -1.929 6.560 6.871 1.00 41.51 H new ATOM 0 HB3 GLN A 8 -3.110 6.029 5.689 1.00 41.51 H new ATOM 0 HG2 GLN A 8 -4.036 4.430 7.393 1.00 65.34 H new ATOM 0 HG3 GLN A 8 -2.906 5.072 8.569 1.00 65.34 H new ATOM 0 HE21 GLN A 8 -3.171 7.230 9.365 1.00 3.23 H new ATOM 0 HE22 GLN A 8 -4.705 8.085 9.175 1.00 3.23 H new ATOM 110 N TYR A 9 -1.053 4.583 3.738 1.00 25.23 N ATOM 111 CA TYR A 9 -0.370 5.007 2.508 1.00 51.14 C ATOM 112 C TYR A 9 -1.355 5.692 1.550 1.00 43.52 C ATOM 113 O TYR A 9 -2.491 5.252 1.398 1.00 75.00 O ATOM 114 CB TYR A 9 0.275 3.797 1.818 1.00 53.42 C ATOM 115 CG TYR A 9 1.399 3.159 2.615 1.00 3.11 C ATOM 116 CD1 TYR A 9 1.134 2.212 3.602 1.00 72.32 C ATOM 117 CD2 TYR A 9 2.725 3.504 2.381 1.00 15.33 C ATOM 118 CE1 TYR A 9 2.157 1.631 4.325 1.00 10.21 C ATOM 119 CE2 TYR A 9 3.751 2.926 3.101 1.00 55.55 C ATOM 120 CZ TYR A 9 3.464 1.991 4.069 1.00 40.10 C ATOM 121 OH TYR A 9 4.487 1.409 4.782 1.00 53.33 O ATOM 0 H TYR A 9 -1.797 3.902 3.586 1.00 25.23 H new ATOM 0 HA TYR A 9 0.408 5.722 2.776 1.00 51.14 H new ATOM 0 HB2 TYR A 9 -0.493 3.047 1.629 1.00 53.42 H new ATOM 0 HB3 TYR A 9 0.662 4.109 0.848 1.00 53.42 H new ATOM 0 HD1 TYR A 9 0.112 1.928 3.805 1.00 72.32 H new ATOM 0 HD2 TYR A 9 2.957 4.237 1.623 1.00 15.33 H new ATOM 0 HE1 TYR A 9 1.935 0.899 5.087 1.00 10.21 H new ATOM 0 HE2 TYR A 9 4.775 3.207 2.905 1.00 55.55 H new ATOM 0 HH TYR A 9 5.319 1.900 4.620 1.00 53.33 H new ATOM 131 N ARG A 10 -0.926 6.774 0.903 1.00 62.35 N ATOM 132 CA ARG A 10 -1.799 7.513 -0.018 1.00 13.03 C ATOM 133 C ARG A 10 -1.393 7.306 -1.487 1.00 61.14 C ATOM 134 O ARG A 10 -0.233 7.500 -1.855 1.00 44.50 O ATOM 135 CB ARG A 10 -1.783 9.011 0.316 1.00 11.41 C ATOM 136 CG ARG A 10 -2.684 9.849 -0.589 1.00 74.12 C ATOM 137 CD ARG A 10 -2.589 11.339 -0.279 1.00 43.44 C ATOM 138 NE ARG A 10 -3.040 11.659 1.076 1.00 52.33 N ATOM 139 CZ ARG A 10 -3.184 12.876 1.528 1.00 25.20 C ATOM 140 NH1 ARG A 10 -2.972 13.896 0.760 1.00 42.31 N ATOM 141 NH2 ARG A 10 -3.564 13.073 2.746 1.00 15.51 N ATOM 0 H ARG A 10 0.014 7.160 0.996 1.00 62.35 H new ATOM 0 HA ARG A 10 -2.808 7.120 0.110 1.00 13.03 H new ATOM 0 HB2 ARG A 10 -2.095 9.147 1.352 1.00 11.41 H new ATOM 0 HB3 ARG A 10 -0.761 9.381 0.240 1.00 11.41 H new ATOM 0 HG2 ARG A 10 -2.410 9.678 -1.630 1.00 74.12 H new ATOM 0 HG3 ARG A 10 -3.717 9.521 -0.474 1.00 74.12 H new ATOM 0 HD2 ARG A 10 -1.557 11.667 -0.402 1.00 43.44 H new ATOM 0 HD3 ARG A 10 -3.189 11.896 -0.999 1.00 43.44 H new ATOM 0 HE ARG A 10 -3.255 10.885 1.705 1.00 52.33 H new ATOM 0 HH11 ARG A 10 -2.689 13.754 -0.210 1.00 42.31 H new ATOM 0 HH12 ARG A 10 -3.088 14.842 1.124 1.00 42.31 H new ATOM 0 HH21 ARG A 10 -3.752 12.278 3.356 1.00 15.51 H new ATOM 0 HH22 ARG A 10 -3.676 14.024 3.098 1.00 15.51 H new ATOM 155 N ALA A 11 -2.357 6.915 -2.320 1.00 14.33 N ATOM 156 CA ALA A 11 -2.133 6.781 -3.765 1.00 30.51 C ATOM 157 C ALA A 11 -2.259 8.145 -4.460 1.00 74.43 C ATOM 158 O ALA A 11 -3.250 8.849 -4.279 1.00 40.40 O ATOM 159 CB ALA A 11 -3.123 5.788 -4.363 1.00 64.24 C ATOM 0 H ALA A 11 -3.304 6.684 -2.021 1.00 14.33 H new ATOM 0 HA ALA A 11 -1.122 6.406 -3.924 1.00 30.51 H new ATOM 0 HB1 ALA A 11 -2.946 5.698 -5.435 1.00 64.24 H new ATOM 0 HB2 ALA A 11 -2.992 4.814 -3.891 1.00 64.24 H new ATOM 0 HB3 ALA A 11 -4.140 6.140 -4.192 1.00 64.24 H new ATOM 165 N LEU A 12 -1.256 8.513 -5.251 1.00 4.21 N ATOM 166 CA LEU A 12 -1.232 9.829 -5.910 1.00 14.54 C ATOM 167 C LEU A 12 -2.326 9.949 -6.991 1.00 11.04 C ATOM 168 O LEU A 12 -3.227 10.788 -6.903 1.00 43.01 O ATOM 169 CB LEU A 12 0.153 10.069 -6.532 1.00 25.42 C ATOM 170 CG LEU A 12 1.345 9.921 -5.567 1.00 74.22 C ATOM 171 CD1 LEU A 12 2.660 10.205 -6.284 1.00 43.45 C ATOM 172 CD2 LEU A 12 1.178 10.837 -4.359 1.00 61.34 C ATOM 0 H LEU A 12 -0.448 7.925 -5.455 1.00 4.21 H new ATOM 0 HA LEU A 12 -1.434 10.588 -5.154 1.00 14.54 H new ATOM 0 HB2 LEU A 12 0.287 9.371 -7.358 1.00 25.42 H new ATOM 0 HB3 LEU A 12 0.173 11.073 -6.956 1.00 25.42 H new ATOM 0 HG LEU A 12 1.369 8.891 -5.212 1.00 74.22 H new ATOM 0 HD11 LEU A 12 3.488 10.095 -5.583 1.00 43.45 H new ATOM 0 HD12 LEU A 12 2.785 9.501 -7.107 1.00 43.45 H new ATOM 0 HD13 LEU A 12 2.649 11.222 -6.675 1.00 43.45 H new ATOM 0 HD21 LEU A 12 2.031 10.717 -3.691 1.00 61.34 H new ATOM 0 HD22 LEU A 12 1.122 11.873 -4.693 1.00 61.34 H new ATOM 0 HD23 LEU A 12 0.262 10.577 -3.829 1.00 61.34 H new ATOM 184 N TYR A 13 -2.234 9.101 -8.008 1.00 34.32 N ATOM 185 CA TYR A 13 -3.183 9.101 -9.132 1.00 12.34 C ATOM 186 C TYR A 13 -3.925 7.759 -9.203 1.00 51.41 C ATOM 187 O TYR A 13 -3.590 6.830 -8.467 1.00 52.23 O ATOM 188 CB TYR A 13 -2.423 9.343 -10.448 1.00 11.51 C ATOM 189 CG TYR A 13 -1.664 10.653 -10.494 1.00 21.52 C ATOM 190 CD1 TYR A 13 -2.279 11.822 -10.928 1.00 62.42 C ATOM 191 CD2 TYR A 13 -0.327 10.718 -10.114 1.00 53.11 C ATOM 192 CE1 TYR A 13 -1.585 13.013 -10.983 1.00 24.53 C ATOM 193 CE2 TYR A 13 0.371 11.907 -10.163 1.00 63.12 C ATOM 194 CZ TYR A 13 -0.262 13.050 -10.600 1.00 23.45 C ATOM 195 OH TYR A 13 0.432 14.239 -10.658 1.00 3.45 O ATOM 0 H TYR A 13 -1.504 8.393 -8.084 1.00 34.32 H new ATOM 0 HA TYR A 13 -3.911 9.897 -8.979 1.00 12.34 H new ATOM 0 HB2 TYR A 13 -1.722 8.524 -10.605 1.00 11.51 H new ATOM 0 HB3 TYR A 13 -3.133 9.318 -11.275 1.00 11.51 H new ATOM 0 HD1 TYR A 13 -3.317 11.797 -11.227 1.00 62.42 H new ATOM 0 HD2 TYR A 13 0.173 9.823 -9.775 1.00 53.11 H new ATOM 0 HE1 TYR A 13 -2.076 13.912 -11.325 1.00 24.53 H new ATOM 0 HE2 TYR A 13 1.407 11.942 -9.861 1.00 63.12 H new ATOM 0 HH TYR A 13 1.352 14.096 -10.353 1.00 3.45 H new ATOM 205 N PRO A 14 -4.955 7.623 -10.065 1.00 23.30 N ATOM 206 CA PRO A 14 -5.552 6.310 -10.323 1.00 22.31 C ATOM 207 C PRO A 14 -4.599 5.413 -11.135 1.00 63.33 C ATOM 208 O PRO A 14 -4.244 5.731 -12.275 1.00 11.11 O ATOM 209 CB PRO A 14 -6.824 6.637 -11.118 1.00 11.51 C ATOM 210 CG PRO A 14 -6.551 7.962 -11.755 1.00 21.32 C ATOM 211 CD PRO A 14 -5.632 8.703 -10.815 1.00 1.54 C ATOM 0 HA PRO A 14 -5.760 5.755 -9.408 1.00 22.31 H new ATOM 0 HB2 PRO A 14 -7.028 5.873 -11.868 1.00 11.51 H new ATOM 0 HB3 PRO A 14 -7.696 6.685 -10.466 1.00 11.51 H new ATOM 0 HG2 PRO A 14 -6.087 7.835 -12.733 1.00 21.32 H new ATOM 0 HG3 PRO A 14 -7.476 8.516 -11.911 1.00 21.32 H new ATOM 0 HD2 PRO A 14 -4.918 9.322 -11.358 1.00 1.54 H new ATOM 0 HD3 PRO A 14 -6.187 9.365 -10.151 1.00 1.54 H new ATOM 219 N PHE A 15 -4.186 4.292 -10.547 1.00 73.34 N ATOM 220 CA PHE A 15 -3.227 3.392 -11.198 1.00 51.10 C ATOM 221 C PHE A 15 -3.868 2.049 -11.567 1.00 3.24 C ATOM 222 O PHE A 15 -4.391 1.332 -10.711 1.00 30.44 O ATOM 223 CB PHE A 15 -1.992 3.179 -10.307 1.00 50.03 C ATOM 224 CG PHE A 15 -1.157 4.427 -10.138 1.00 42.05 C ATOM 225 CD1 PHE A 15 -0.336 4.872 -11.166 1.00 60.14 C ATOM 226 CD2 PHE A 15 -1.200 5.160 -8.960 1.00 13.13 C ATOM 227 CE1 PHE A 15 0.426 6.016 -11.020 1.00 42.51 C ATOM 228 CE2 PHE A 15 -0.441 6.306 -8.810 1.00 62.11 C ATOM 229 CZ PHE A 15 0.374 6.735 -9.841 1.00 34.14 C ATOM 0 H PHE A 15 -4.497 3.983 -9.626 1.00 73.34 H new ATOM 0 HA PHE A 15 -2.909 3.868 -12.126 1.00 51.10 H new ATOM 0 HB2 PHE A 15 -2.315 2.831 -9.326 1.00 50.03 H new ATOM 0 HB3 PHE A 15 -1.373 2.391 -10.737 1.00 50.03 H new ATOM 0 HD1 PHE A 15 -0.292 4.317 -12.091 1.00 60.14 H new ATOM 0 HD2 PHE A 15 -1.834 4.831 -8.150 1.00 13.13 H new ATOM 0 HE1 PHE A 15 1.062 6.348 -11.827 1.00 42.51 H new ATOM 0 HE2 PHE A 15 -0.485 6.866 -7.888 1.00 62.11 H new ATOM 0 HZ PHE A 15 0.968 7.629 -9.725 1.00 34.14 H new ATOM 367 N LEU A 23 -4.728 -5.115 -6.929 1.00 71.31 N ATOM 368 CA LEU A 23 -5.544 -4.031 -6.361 1.00 71.44 C ATOM 369 C LEU A 23 -5.262 -2.698 -7.076 1.00 51.44 C ATOM 370 O LEU A 23 -4.116 -2.247 -7.146 1.00 43.02 O ATOM 371 CB LEU A 23 -5.269 -3.890 -4.855 1.00 11.24 C ATOM 372 CG LEU A 23 -6.157 -2.877 -4.107 1.00 70.23 C ATOM 373 CD1 LEU A 23 -7.622 -3.312 -4.128 1.00 72.32 C ATOM 374 CD2 LEU A 23 -5.670 -2.691 -2.670 1.00 54.54 C ATOM 0 HA LEU A 23 -6.594 -4.284 -6.508 1.00 71.44 H new ATOM 0 HB2 LEU A 23 -5.392 -4.867 -4.389 1.00 11.24 H new ATOM 0 HB3 LEU A 23 -4.227 -3.601 -4.720 1.00 11.24 H new ATOM 0 HG LEU A 23 -6.083 -1.919 -4.622 1.00 70.23 H new ATOM 0 HD11 LEU A 23 -8.227 -2.580 -3.593 1.00 72.32 H new ATOM 0 HD12 LEU A 23 -7.966 -3.382 -5.160 1.00 72.32 H new ATOM 0 HD13 LEU A 23 -7.720 -4.285 -3.646 1.00 72.32 H new ATOM 0 HD21 LEU A 23 -6.310 -1.972 -2.159 1.00 54.54 H new ATOM 0 HD22 LEU A 23 -5.707 -3.646 -2.147 1.00 54.54 H new ATOM 0 HD23 LEU A 23 -4.644 -2.322 -2.678 1.00 54.54 H new ATOM 386 N GLU A 24 -6.312 -2.079 -7.615 1.00 11.14 N ATOM 387 CA GLU A 24 -6.190 -0.789 -8.304 1.00 31.05 C ATOM 388 C GLU A 24 -6.027 0.369 -7.303 1.00 2.32 C ATOM 389 O GLU A 24 -6.438 0.270 -6.145 1.00 50.32 O ATOM 390 CB GLU A 24 -7.420 -0.529 -9.195 1.00 45.45 C ATOM 391 CG GLU A 24 -7.565 -1.472 -10.393 1.00 2.32 C ATOM 392 CD GLU A 24 -7.904 -2.912 -10.020 1.00 65.20 C ATOM 393 OE1 GLU A 24 -8.501 -3.137 -8.944 1.00 11.53 O ATOM 394 OE2 GLU A 24 -7.603 -3.824 -10.822 1.00 15.41 O ATOM 0 H GLU A 24 -7.262 -2.450 -7.589 1.00 11.14 H new ATOM 0 HA GLU A 24 -5.297 -0.837 -8.927 1.00 31.05 H new ATOM 0 HB2 GLU A 24 -8.317 -0.606 -8.581 1.00 45.45 H new ATOM 0 HB3 GLU A 24 -7.373 0.496 -9.563 1.00 45.45 H new ATOM 0 HG2 GLU A 24 -8.343 -1.087 -11.052 1.00 2.32 H new ATOM 0 HG3 GLU A 24 -6.635 -1.465 -10.961 1.00 2.32 H new ATOM 401 N LEU A 25 -5.427 1.467 -7.758 1.00 1.31 N ATOM 402 CA LEU A 25 -5.221 2.653 -6.913 1.00 12.34 C ATOM 403 C LEU A 25 -6.077 3.835 -7.393 1.00 74.30 C ATOM 404 O LEU A 25 -6.270 4.021 -8.593 1.00 42.44 O ATOM 405 CB LEU A 25 -3.737 3.045 -6.917 1.00 32.00 C ATOM 406 CG LEU A 25 -2.781 1.984 -6.346 1.00 72.52 C ATOM 407 CD1 LEU A 25 -1.327 2.437 -6.465 1.00 62.22 C ATOM 408 CD2 LEU A 25 -3.131 1.671 -4.892 1.00 55.53 C ATOM 0 H LEU A 25 -5.072 1.565 -8.709 1.00 1.31 H new ATOM 0 HA LEU A 25 -5.529 2.404 -5.897 1.00 12.34 H new ATOM 0 HB2 LEU A 25 -3.438 3.267 -7.942 1.00 32.00 H new ATOM 0 HB3 LEU A 25 -3.618 3.965 -6.344 1.00 32.00 H new ATOM 0 HG LEU A 25 -2.899 1.073 -6.932 1.00 72.52 H new ATOM 0 HD11 LEU A 25 -0.672 1.669 -6.054 1.00 62.22 H new ATOM 0 HD12 LEU A 25 -1.081 2.600 -7.514 1.00 62.22 H new ATOM 0 HD13 LEU A 25 -1.189 3.366 -5.912 1.00 62.22 H new ATOM 0 HD21 LEU A 25 -2.443 0.918 -4.506 1.00 55.53 H new ATOM 0 HD22 LEU A 25 -3.048 2.579 -4.294 1.00 55.53 H new ATOM 0 HD23 LEU A 25 -4.152 1.292 -4.837 1.00 55.53 H new ATOM 420 N LEU A 26 -6.595 4.623 -6.449 1.00 4.10 N ATOM 421 CA LEU A 26 -7.424 5.799 -6.764 1.00 4.31 C ATOM 422 C LEU A 26 -6.724 7.105 -6.331 1.00 12.54 C ATOM 423 O LEU A 26 -5.906 7.100 -5.410 1.00 70.43 O ATOM 424 CB LEU A 26 -8.806 5.680 -6.080 1.00 50.35 C ATOM 425 CG LEU A 26 -9.834 4.762 -6.777 1.00 54.15 C ATOM 426 CD1 LEU A 26 -10.143 5.265 -8.185 1.00 23.40 C ATOM 427 CD2 LEU A 26 -9.349 3.316 -6.820 1.00 71.44 C ATOM 0 H LEU A 26 -6.456 4.470 -5.450 1.00 4.10 H new ATOM 0 HA LEU A 26 -7.566 5.833 -7.844 1.00 4.31 H new ATOM 0 HB2 LEU A 26 -8.655 5.316 -5.064 1.00 50.35 H new ATOM 0 HB3 LEU A 26 -9.236 6.678 -6.001 1.00 50.35 H new ATOM 0 HG LEU A 26 -10.752 4.790 -6.190 1.00 54.15 H new ATOM 0 HD11 LEU A 26 -10.869 4.603 -8.657 1.00 23.40 H new ATOM 0 HD12 LEU A 26 -10.554 6.273 -8.129 1.00 23.40 H new ATOM 0 HD13 LEU A 26 -9.227 5.278 -8.776 1.00 23.40 H new ATOM 0 HD21 LEU A 26 -10.096 2.696 -7.317 1.00 71.44 H new ATOM 0 HD22 LEU A 26 -8.410 3.264 -7.370 1.00 71.44 H new ATOM 0 HD23 LEU A 26 -9.195 2.954 -5.804 1.00 71.44 H new ATOM 439 N PRO A 27 -7.048 8.249 -6.980 1.00 52.23 N ATOM 440 CA PRO A 27 -6.383 9.537 -6.696 1.00 30.21 C ATOM 441 C PRO A 27 -6.606 10.030 -5.255 1.00 31.15 C ATOM 442 O PRO A 27 -7.744 10.241 -4.821 1.00 33.01 O ATOM 443 CB PRO A 27 -7.023 10.503 -7.710 1.00 62.03 C ATOM 444 CG PRO A 27 -8.325 9.871 -8.074 1.00 34.40 C ATOM 445 CD PRO A 27 -8.086 8.387 -8.023 1.00 14.44 C ATOM 0 HA PRO A 27 -5.300 9.456 -6.787 1.00 30.21 H new ATOM 0 HB2 PRO A 27 -7.172 11.491 -7.275 1.00 62.03 H new ATOM 0 HB3 PRO A 27 -6.388 10.633 -8.587 1.00 62.03 H new ATOM 0 HG2 PRO A 27 -9.111 10.165 -7.378 1.00 34.40 H new ATOM 0 HG3 PRO A 27 -8.647 10.182 -9.068 1.00 34.40 H new ATOM 0 HD2 PRO A 27 -8.993 7.842 -7.763 1.00 14.44 H new ATOM 0 HD3 PRO A 27 -7.746 8.000 -8.984 1.00 14.44 H new ATOM 453 N GLY A 28 -5.510 10.206 -4.518 1.00 73.33 N ATOM 454 CA GLY A 28 -5.584 10.691 -3.142 1.00 50.33 C ATOM 455 C GLY A 28 -6.255 9.710 -2.184 1.00 64.42 C ATOM 456 O GLY A 28 -6.712 10.101 -1.105 1.00 2.11 O ATOM 0 H GLY A 28 -4.564 10.020 -4.850 1.00 73.33 H new ATOM 0 HA2 GLY A 28 -4.576 10.902 -2.785 1.00 50.33 H new ATOM 0 HA3 GLY A 28 -6.132 11.633 -3.127 1.00 50.33 H new ATOM 460 N ASP A 29 -6.313 8.434 -2.563 1.00 44.24 N ATOM 461 CA ASP A 29 -6.991 7.422 -1.746 1.00 1.21 C ATOM 462 C ASP A 29 -6.044 6.830 -0.688 1.00 42.13 C ATOM 463 O ASP A 29 -4.823 6.836 -0.856 1.00 21.33 O ATOM 464 CB ASP A 29 -7.559 6.312 -2.640 1.00 13.55 C ATOM 465 CG ASP A 29 -8.770 5.654 -2.011 1.00 72.52 C ATOM 466 OD1 ASP A 29 -9.857 6.275 -2.042 1.00 51.43 O ATOM 467 OD2 ASP A 29 -8.644 4.537 -1.473 1.00 3.14 O ATOM 0 H ASP A 29 -5.902 8.075 -3.425 1.00 44.24 H new ATOM 0 HA ASP A 29 -7.813 7.908 -1.221 1.00 1.21 H new ATOM 0 HB2 ASP A 29 -7.833 6.729 -3.609 1.00 13.55 H new ATOM 0 HB3 ASP A 29 -6.790 5.561 -2.822 1.00 13.55 H new ATOM 472 N VAL A 30 -6.617 6.310 0.398 1.00 34.41 N ATOM 473 CA VAL A 30 -5.829 5.793 1.525 1.00 31.53 C ATOM 474 C VAL A 30 -5.878 4.257 1.608 1.00 21.43 C ATOM 475 O VAL A 30 -6.948 3.650 1.575 1.00 41.55 O ATOM 476 CB VAL A 30 -6.322 6.388 2.868 1.00 13.23 C ATOM 477 CG1 VAL A 30 -5.477 5.876 4.037 1.00 41.42 C ATOM 478 CG2 VAL A 30 -6.315 7.915 2.818 1.00 11.20 C ATOM 0 H VAL A 30 -7.626 6.234 0.524 1.00 34.41 H new ATOM 0 HA VAL A 30 -4.798 6.098 1.346 1.00 31.53 H new ATOM 0 HB VAL A 30 -7.349 6.058 3.027 1.00 13.23 H new ATOM 0 HG11 VAL A 30 -5.844 6.309 4.968 1.00 41.42 H new ATOM 0 HG12 VAL A 30 -5.548 4.790 4.089 1.00 41.42 H new ATOM 0 HG13 VAL A 30 -4.437 6.165 3.888 1.00 41.42 H new ATOM 0 HG21 VAL A 30 -6.665 8.312 3.771 1.00 11.20 H new ATOM 0 HG22 VAL A 30 -5.301 8.268 2.628 1.00 11.20 H new ATOM 0 HG23 VAL A 30 -6.974 8.256 2.019 1.00 11.20 H new ATOM 488 N LEU A 31 -4.702 3.637 1.710 1.00 11.24 N ATOM 489 CA LEU A 31 -4.588 2.184 1.885 1.00 44.34 C ATOM 490 C LEU A 31 -3.764 1.855 3.142 1.00 5.21 C ATOM 491 O LEU A 31 -2.604 2.256 3.260 1.00 53.10 O ATOM 492 CB LEU A 31 -3.945 1.531 0.649 1.00 34.11 C ATOM 493 CG LEU A 31 -4.695 1.735 -0.687 1.00 10.30 C ATOM 494 CD1 LEU A 31 -4.401 3.108 -1.292 1.00 73.43 C ATOM 495 CD2 LEU A 31 -4.353 0.628 -1.679 1.00 21.32 C ATOM 0 H LEU A 31 -3.805 4.122 1.674 1.00 11.24 H new ATOM 0 HA LEU A 31 -5.593 1.780 2.006 1.00 44.34 H new ATOM 0 HB2 LEU A 31 -2.934 1.923 0.540 1.00 34.11 H new ATOM 0 HB3 LEU A 31 -3.854 0.460 0.833 1.00 34.11 H new ATOM 0 HG LEU A 31 -5.762 1.687 -0.472 1.00 10.30 H new ATOM 0 HD11 LEU A 31 -4.945 3.216 -2.230 1.00 73.43 H new ATOM 0 HD12 LEU A 31 -4.717 3.887 -0.598 1.00 73.43 H new ATOM 0 HD13 LEU A 31 -3.331 3.201 -1.480 1.00 73.43 H new ATOM 0 HD21 LEU A 31 -4.894 0.795 -2.611 1.00 21.32 H new ATOM 0 HD22 LEU A 31 -3.281 0.634 -1.875 1.00 21.32 H new ATOM 0 HD23 LEU A 31 -4.640 -0.337 -1.261 1.00 21.32 H new ATOM 507 N VAL A 32 -4.365 1.124 4.078 1.00 13.42 N ATOM 508 CA VAL A 32 -3.718 0.819 5.364 1.00 55.02 C ATOM 509 C VAL A 32 -2.983 -0.535 5.343 1.00 15.44 C ATOM 510 O VAL A 32 -3.580 -1.569 5.053 1.00 55.02 O ATOM 511 CB VAL A 32 -4.757 0.811 6.513 1.00 65.33 C ATOM 512 CG1 VAL A 32 -4.078 0.557 7.859 1.00 61.11 C ATOM 513 CG2 VAL A 32 -5.543 2.124 6.534 1.00 3.31 C ATOM 0 H VAL A 32 -5.300 0.729 3.975 1.00 13.42 H new ATOM 0 HA VAL A 32 -2.982 1.605 5.533 1.00 55.02 H new ATOM 0 HB VAL A 32 -5.459 -0.003 6.335 1.00 65.33 H new ATOM 0 HG11 VAL A 32 -4.828 0.556 8.650 1.00 61.11 H new ATOM 0 HG12 VAL A 32 -3.574 -0.409 7.836 1.00 61.11 H new ATOM 0 HG13 VAL A 32 -3.348 1.343 8.052 1.00 61.11 H new ATOM 0 HG21 VAL A 32 -6.268 2.101 7.347 1.00 3.31 H new ATOM 0 HG22 VAL A 32 -4.856 2.957 6.684 1.00 3.31 H new ATOM 0 HG23 VAL A 32 -6.065 2.251 5.586 1.00 3.31 H new ATOM 523 N VAL A 33 -1.688 -0.519 5.663 1.00 4.22 N ATOM 524 CA VAL A 33 -0.882 -1.751 5.731 1.00 43.03 C ATOM 525 C VAL A 33 -0.399 -2.024 7.168 1.00 25.23 C ATOM 526 O VAL A 33 0.339 -1.228 7.751 1.00 13.21 O ATOM 527 CB VAL A 33 0.347 -1.676 4.786 1.00 44.34 C ATOM 528 CG1 VAL A 33 1.166 -2.968 4.844 1.00 10.11 C ATOM 529 CG2 VAL A 33 -0.089 -1.371 3.353 1.00 11.22 C ATOM 0 H VAL A 33 -1.169 0.332 5.880 1.00 4.22 H new ATOM 0 HA VAL A 33 -1.528 -2.568 5.410 1.00 43.03 H new ATOM 0 HB VAL A 33 0.985 -0.861 5.128 1.00 44.34 H new ATOM 0 HG11 VAL A 33 2.021 -2.887 4.172 1.00 10.11 H new ATOM 0 HG12 VAL A 33 1.519 -3.130 5.863 1.00 10.11 H new ATOM 0 HG13 VAL A 33 0.542 -3.808 4.539 1.00 10.11 H new ATOM 0 HG21 VAL A 33 0.788 -1.323 2.708 1.00 11.22 H new ATOM 0 HG22 VAL A 33 -0.756 -2.158 3.000 1.00 11.22 H new ATOM 0 HG23 VAL A 33 -0.611 -0.414 3.327 1.00 11.22 H new ATOM 539 N SER A 34 -0.819 -3.155 7.732 1.00 2.51 N ATOM 540 CA SER A 34 -0.437 -3.544 9.102 1.00 2.41 C ATOM 541 C SER A 34 1.061 -3.886 9.208 1.00 44.22 C ATOM 542 O SER A 34 1.630 -4.498 8.303 1.00 31.24 O ATOM 543 CB SER A 34 -1.271 -4.749 9.558 1.00 15.21 C ATOM 544 OG SER A 34 -2.659 -4.456 9.524 1.00 4.03 O ATOM 0 H SER A 34 -1.428 -3.826 7.264 1.00 2.51 H new ATOM 0 HA SER A 34 -0.633 -2.689 9.750 1.00 2.41 H new ATOM 0 HB2 SER A 34 -1.061 -5.604 8.915 1.00 15.21 H new ATOM 0 HB3 SER A 34 -0.981 -5.033 10.570 1.00 15.21 H new ATOM 0 HG SER A 34 -3.166 -5.241 9.818 1.00 4.03 H new ATOM 550 N ARG A 35 1.697 -3.510 10.328 1.00 21.33 N ATOM 551 CA ARG A 35 3.133 -3.788 10.527 1.00 45.31 C ATOM 552 C ARG A 35 3.422 -5.296 10.501 1.00 63.43 C ATOM 553 O ARG A 35 4.506 -5.727 10.107 1.00 21.24 O ATOM 554 CB ARG A 35 3.653 -3.172 11.841 1.00 43.34 C ATOM 555 CG ARG A 35 3.552 -1.646 11.888 1.00 61.33 C ATOM 556 CD ARG A 35 4.473 -1.032 12.944 1.00 63.54 C ATOM 557 NE ARG A 35 4.196 -1.513 14.296 1.00 54.25 N ATOM 558 CZ ARG A 35 4.921 -1.201 15.339 1.00 74.21 C ATOM 559 NH1 ARG A 35 5.943 -0.414 15.223 1.00 30.13 N ATOM 560 NH2 ARG A 35 4.623 -1.679 16.497 1.00 22.12 N ATOM 0 H ARG A 35 1.249 -3.019 11.102 1.00 21.33 H new ATOM 0 HA ARG A 35 3.663 -3.321 9.697 1.00 45.31 H new ATOM 0 HB2 ARG A 35 3.090 -3.590 12.676 1.00 43.34 H new ATOM 0 HB3 ARG A 35 4.694 -3.463 11.981 1.00 43.34 H new ATOM 0 HG2 ARG A 35 3.804 -1.238 10.909 1.00 61.33 H new ATOM 0 HG3 ARG A 35 2.522 -1.359 12.098 1.00 61.33 H new ATOM 0 HD2 ARG A 35 5.509 -1.258 12.690 1.00 63.54 H new ATOM 0 HD3 ARG A 35 4.368 0.053 12.922 1.00 63.54 H new ATOM 0 HE ARG A 35 3.393 -2.126 14.434 1.00 54.25 H new ATOM 0 HH11 ARG A 35 6.190 -0.030 14.311 1.00 30.13 H new ATOM 0 HH12 ARG A 35 6.501 -0.178 16.044 1.00 30.13 H new ATOM 0 HH21 ARG A 35 3.821 -2.301 16.601 1.00 22.12 H new ATOM 0 HH22 ARG A 35 5.189 -1.436 17.310 1.00 22.12 H new ATOM 574 N ALA A 36 2.447 -6.092 10.932 1.00 74.31 N ATOM 575 CA ALA A 36 2.532 -7.551 10.822 1.00 3.41 C ATOM 576 C ALA A 36 2.757 -7.982 9.362 1.00 34.41 C ATOM 577 O ALA A 36 3.616 -8.815 9.069 1.00 2.31 O ATOM 578 CB ALA A 36 1.267 -8.189 11.383 1.00 62.31 C ATOM 0 H ALA A 36 1.586 -5.753 11.362 1.00 74.31 H new ATOM 0 HA ALA A 36 3.387 -7.893 11.405 1.00 3.41 H new ATOM 0 HB1 ALA A 36 1.338 -9.273 11.298 1.00 62.31 H new ATOM 0 HB2 ALA A 36 1.155 -7.914 12.432 1.00 62.31 H new ATOM 0 HB3 ALA A 36 0.402 -7.837 10.821 1.00 62.31 H new ATOM 584 N ALA A 37 1.995 -7.381 8.449 1.00 34.34 N ATOM 585 CA ALA A 37 2.136 -7.654 7.015 1.00 63.43 C ATOM 586 C ALA A 37 3.521 -7.235 6.501 1.00 72.35 C ATOM 587 O ALA A 37 4.136 -7.938 5.700 1.00 32.22 O ATOM 588 CB ALA A 37 1.041 -6.941 6.231 1.00 3.44 C ATOM 0 H ALA A 37 1.271 -6.699 8.676 1.00 34.34 H new ATOM 0 HA ALA A 37 2.035 -8.729 6.866 1.00 63.43 H new ATOM 0 HB1 ALA A 37 1.158 -7.152 5.168 1.00 3.44 H new ATOM 0 HB2 ALA A 37 0.065 -7.293 6.566 1.00 3.44 H new ATOM 0 HB3 ALA A 37 1.115 -5.866 6.397 1.00 3.44 H new ATOM 594 N LEU A 38 4.006 -6.085 6.969 1.00 74.45 N ATOM 595 CA LEU A 38 5.359 -5.623 6.632 1.00 60.33 C ATOM 596 C LEU A 38 6.414 -6.668 7.031 1.00 21.50 C ATOM 597 O LEU A 38 7.304 -7.000 6.247 1.00 73.01 O ATOM 598 CB LEU A 38 5.655 -4.284 7.327 1.00 41.14 C ATOM 599 CG LEU A 38 4.753 -3.111 6.906 1.00 61.01 C ATOM 600 CD1 LEU A 38 5.084 -1.858 7.714 1.00 44.54 C ATOM 601 CD2 LEU A 38 4.888 -2.841 5.408 1.00 24.21 C ATOM 0 H LEU A 38 3.487 -5.456 7.581 1.00 74.45 H new ATOM 0 HA LEU A 38 5.408 -5.482 5.552 1.00 60.33 H new ATOM 0 HB2 LEU A 38 5.562 -4.424 8.404 1.00 41.14 H new ATOM 0 HB3 LEU A 38 6.692 -4.012 7.129 1.00 41.14 H new ATOM 0 HG LEU A 38 3.718 -3.383 7.112 1.00 61.01 H new ATOM 0 HD11 LEU A 38 4.435 -1.041 7.400 1.00 44.54 H new ATOM 0 HD12 LEU A 38 4.930 -2.058 8.774 1.00 44.54 H new ATOM 0 HD13 LEU A 38 6.124 -1.580 7.545 1.00 44.54 H new ATOM 0 HD21 LEU A 38 4.243 -2.008 5.129 1.00 24.21 H new ATOM 0 HD22 LEU A 38 5.923 -2.592 5.175 1.00 24.21 H new ATOM 0 HD23 LEU A 38 4.594 -3.730 4.850 1.00 24.21 H new ATOM 613 N GLN A 39 6.299 -7.190 8.253 1.00 43.12 N ATOM 614 CA GLN A 39 7.197 -8.247 8.733 1.00 54.43 C ATOM 615 C GLN A 39 7.080 -9.517 7.874 1.00 0.25 C ATOM 616 O GLN A 39 8.082 -10.176 7.582 1.00 50.10 O ATOM 617 CB GLN A 39 6.905 -8.577 10.202 1.00 31.41 C ATOM 618 CG GLN A 39 7.255 -7.448 11.164 1.00 44.23 C ATOM 619 CD GLN A 39 7.034 -7.834 12.616 1.00 20.23 C ATOM 620 OE1 GLN A 39 7.919 -8.372 13.270 1.00 53.42 O ATOM 621 NE2 GLN A 39 5.851 -7.572 13.128 1.00 25.14 N ATOM 0 H GLN A 39 5.594 -6.900 8.930 1.00 43.12 H new ATOM 0 HA GLN A 39 8.218 -7.874 8.649 1.00 54.43 H new ATOM 0 HB2 GLN A 39 5.847 -8.818 10.308 1.00 31.41 H new ATOM 0 HB3 GLN A 39 7.465 -9.469 10.483 1.00 31.41 H new ATOM 0 HG2 GLN A 39 8.297 -7.163 11.021 1.00 44.23 H new ATOM 0 HG3 GLN A 39 6.650 -6.573 10.928 1.00 44.23 H new ATOM 0 HE21 GLN A 39 5.136 -7.123 12.556 1.00 25.14 H new ATOM 0 HE22 GLN A 39 5.649 -7.818 14.097 1.00 25.14 H new ATOM 630 N ALA A 40 5.853 -9.860 7.473 1.00 32.35 N ATOM 631 CA ALA A 40 5.621 -10.986 6.559 1.00 72.34 C ATOM 632 C ALA A 40 6.365 -10.778 5.227 1.00 50.14 C ATOM 633 O ALA A 40 7.002 -11.698 4.705 1.00 63.30 O ATOM 634 CB ALA A 40 4.127 -11.173 6.317 1.00 31.22 C ATOM 0 H ALA A 40 5.004 -9.376 7.766 1.00 32.35 H new ATOM 0 HA ALA A 40 6.014 -11.890 7.025 1.00 72.34 H new ATOM 0 HB1 ALA A 40 3.971 -12.011 5.638 1.00 31.22 H new ATOM 0 HB2 ALA A 40 3.628 -11.376 7.264 1.00 31.22 H new ATOM 0 HB3 ALA A 40 3.714 -10.266 5.876 1.00 31.22 H new ATOM 640 N LEU A 41 6.291 -9.558 4.695 1.00 65.34 N ATOM 641 CA LEU A 41 7.033 -9.182 3.484 1.00 3.14 C ATOM 642 C LEU A 41 8.551 -9.173 3.734 1.00 54.42 C ATOM 643 O LEU A 41 9.345 -9.402 2.821 1.00 73.51 O ATOM 644 CB LEU A 41 6.595 -7.789 3.004 1.00 62.41 C ATOM 645 CG LEU A 41 5.113 -7.651 2.617 1.00 73.51 C ATOM 646 CD1 LEU A 41 4.780 -6.197 2.287 1.00 53.52 C ATOM 647 CD2 LEU A 41 4.776 -8.565 1.440 1.00 61.21 C ATOM 0 H LEU A 41 5.722 -8.806 5.084 1.00 65.34 H new ATOM 0 HA LEU A 41 6.810 -9.926 2.719 1.00 3.14 H new ATOM 0 HB2 LEU A 41 6.814 -7.068 3.792 1.00 62.41 H new ATOM 0 HB3 LEU A 41 7.203 -7.514 2.142 1.00 62.41 H new ATOM 0 HG LEU A 41 4.505 -7.957 3.468 1.00 73.51 H new ATOM 0 HD11 LEU A 41 3.727 -6.117 2.015 1.00 53.52 H new ATOM 0 HD12 LEU A 41 4.978 -5.572 3.158 1.00 53.52 H new ATOM 0 HD13 LEU A 41 5.396 -5.863 1.452 1.00 53.52 H new ATOM 0 HD21 LEU A 41 3.723 -8.452 1.182 1.00 61.21 H new ATOM 0 HD22 LEU A 41 5.391 -8.295 0.582 1.00 61.21 H new ATOM 0 HD23 LEU A 41 4.973 -9.601 1.716 1.00 61.21 H new ATOM 659 N GLY A 42 8.942 -8.905 4.978 1.00 61.25 N ATOM 660 CA GLY A 42 10.359 -8.823 5.331 1.00 32.20 C ATOM 661 C GLY A 42 10.887 -7.392 5.353 1.00 3.24 C ATOM 662 O GLY A 42 12.072 -7.153 5.124 1.00 4.14 O ATOM 0 H GLY A 42 8.302 -8.742 5.755 1.00 61.25 H new ATOM 0 HA2 GLY A 42 10.510 -9.275 6.311 1.00 32.20 H new ATOM 0 HA3 GLY A 42 10.940 -9.408 4.617 1.00 32.20 H new ATOM 666 N VAL A 43 10.003 -6.439 5.624 1.00 51.14 N ATOM 667 CA VAL A 43 10.374 -5.023 5.694 1.00 41.25 C ATOM 668 C VAL A 43 10.760 -4.622 7.128 1.00 12.11 C ATOM 669 O VAL A 43 9.949 -4.711 8.051 1.00 41.14 O ATOM 670 CB VAL A 43 9.216 -4.116 5.206 1.00 4.33 C ATOM 671 CG1 VAL A 43 9.637 -2.646 5.200 1.00 24.01 C ATOM 672 CG2 VAL A 43 8.730 -4.557 3.824 1.00 2.11 C ATOM 0 H VAL A 43 9.015 -6.620 5.801 1.00 51.14 H new ATOM 0 HA VAL A 43 11.235 -4.885 5.040 1.00 41.25 H new ATOM 0 HB VAL A 43 8.385 -4.220 5.904 1.00 4.33 H new ATOM 0 HG11 VAL A 43 8.806 -2.031 4.854 1.00 24.01 H new ATOM 0 HG12 VAL A 43 9.916 -2.343 6.209 1.00 24.01 H new ATOM 0 HG13 VAL A 43 10.489 -2.514 4.533 1.00 24.01 H new ATOM 0 HG21 VAL A 43 7.917 -3.907 3.500 1.00 2.11 H new ATOM 0 HG22 VAL A 43 9.552 -4.492 3.111 1.00 2.11 H new ATOM 0 HG23 VAL A 43 8.374 -5.586 3.875 1.00 2.11 H new ATOM 682 N ALA A 44 12.006 -4.188 7.304 1.00 4.22 N ATOM 683 CA ALA A 44 12.504 -3.761 8.616 1.00 63.11 C ATOM 684 C ALA A 44 12.069 -2.328 8.954 1.00 31.44 C ATOM 685 O ALA A 44 11.900 -1.491 8.063 1.00 3.22 O ATOM 686 CB ALA A 44 14.022 -3.871 8.652 1.00 31.52 C ATOM 0 H ALA A 44 12.694 -4.121 6.554 1.00 4.22 H new ATOM 0 HA ALA A 44 12.071 -4.420 9.368 1.00 63.11 H new ATOM 0 HB1 ALA A 44 14.387 -3.553 9.629 1.00 31.52 H new ATOM 0 HB2 ALA A 44 14.316 -4.905 8.474 1.00 31.52 H new ATOM 0 HB3 ALA A 44 14.451 -3.234 7.879 1.00 31.52 H new ATOM 692 N GLU A 45 11.897 -2.050 10.251 1.00 73.30 N ATOM 693 CA GLU A 45 11.505 -0.711 10.716 1.00 31.13 C ATOM 694 C GLU A 45 12.521 0.351 10.264 1.00 24.25 C ATOM 695 O GLU A 45 13.700 0.303 10.634 1.00 33.02 O ATOM 696 CB GLU A 45 11.361 -0.691 12.246 1.00 64.22 C ATOM 697 CG GLU A 45 10.900 0.655 12.802 1.00 72.11 C ATOM 698 CD GLU A 45 10.699 0.631 14.309 1.00 0.24 C ATOM 699 OE1 GLU A 45 9.642 0.148 14.765 1.00 2.22 O ATOM 700 OE2 GLU A 45 11.595 1.092 15.048 1.00 11.23 O ATOM 0 H GLU A 45 12.023 -2.733 10.998 1.00 73.30 H new ATOM 0 HA GLU A 45 10.540 -0.472 10.270 1.00 31.13 H new ATOM 0 HB2 GLU A 45 10.649 -1.461 12.545 1.00 64.22 H new ATOM 0 HB3 GLU A 45 12.319 -0.951 12.696 1.00 64.22 H new ATOM 0 HG2 GLU A 45 11.636 1.419 12.550 1.00 72.11 H new ATOM 0 HG3 GLU A 45 9.965 0.942 12.320 1.00 72.11 H new ATOM 707 N GLY A 46 12.049 1.313 9.478 1.00 32.14 N ATOM 708 CA GLY A 46 12.927 2.297 8.859 1.00 62.31 C ATOM 709 C GLY A 46 12.910 2.212 7.335 1.00 62.31 C ATOM 710 O GLY A 46 13.537 3.025 6.653 1.00 64.30 O ATOM 0 H GLY A 46 11.061 1.431 9.255 1.00 32.14 H new ATOM 0 HA2 GLY A 46 12.623 3.297 9.168 1.00 62.31 H new ATOM 0 HA3 GLY A 46 13.946 2.148 9.218 1.00 62.31 H new ATOM 714 N GLY A 47 12.197 1.215 6.803 1.00 33.31 N ATOM 715 CA GLY A 47 12.077 1.043 5.354 1.00 62.25 C ATOM 716 C GLY A 47 10.669 1.331 4.830 1.00 45.22 C ATOM 717 O GLY A 47 10.501 1.830 3.716 1.00 4.42 O ATOM 0 H GLY A 47 11.696 0.517 7.353 1.00 33.31 H new ATOM 0 HA2 GLY A 47 12.786 1.704 4.856 1.00 62.25 H new ATOM 0 HA3 GLY A 47 12.354 0.022 5.091 1.00 62.25 H new ATOM 721 N GLU A 48 9.661 1.021 5.644 1.00 20.24 N ATOM 722 CA GLU A 48 8.244 1.233 5.286 1.00 2.44 C ATOM 723 C GLU A 48 7.947 2.700 4.930 1.00 41.34 C ATOM 724 O GLU A 48 6.950 2.999 4.267 1.00 31.42 O ATOM 725 CB GLU A 48 7.337 0.793 6.447 1.00 63.12 C ATOM 726 CG GLU A 48 7.436 1.676 7.696 1.00 73.31 C ATOM 727 CD GLU A 48 8.858 1.796 8.222 1.00 23.01 C ATOM 728 OE1 GLU A 48 9.399 0.785 8.702 1.00 74.23 O ATOM 729 OE2 GLU A 48 9.456 2.889 8.106 1.00 54.45 O ATOM 0 H GLU A 48 9.795 0.616 6.571 1.00 20.24 H new ATOM 0 HA GLU A 48 8.040 0.629 4.402 1.00 2.44 H new ATOM 0 HB2 GLU A 48 6.303 0.787 6.102 1.00 63.12 H new ATOM 0 HB3 GLU A 48 7.588 -0.232 6.720 1.00 63.12 H new ATOM 0 HG2 GLU A 48 7.054 2.670 7.464 1.00 73.31 H new ATOM 0 HG3 GLU A 48 6.798 1.264 8.478 1.00 73.31 H new ATOM 736 N ARG A 49 8.807 3.609 5.393 1.00 32.31 N ATOM 737 CA ARG A 49 8.688 5.038 5.074 1.00 63.53 C ATOM 738 C ARG A 49 8.717 5.287 3.554 1.00 4.14 C ATOM 739 O ARG A 49 8.257 6.325 3.075 1.00 54.24 O ATOM 740 CB ARG A 49 9.811 5.831 5.759 1.00 63.12 C ATOM 741 CG ARG A 49 11.213 5.508 5.243 1.00 20.35 C ATOM 742 CD ARG A 49 12.285 6.300 5.989 1.00 14.03 C ATOM 743 NE ARG A 49 13.620 6.102 5.423 1.00 51.33 N ATOM 744 CZ ARG A 49 14.728 6.156 6.112 1.00 63.10 C ATOM 745 NH1 ARG A 49 14.700 6.336 7.397 1.00 12.14 N ATOM 746 NH2 ARG A 49 15.868 6.010 5.516 1.00 53.15 N ATOM 0 H ARG A 49 9.599 3.382 5.994 1.00 32.31 H new ATOM 0 HA ARG A 49 7.724 5.380 5.449 1.00 63.53 H new ATOM 0 HB2 ARG A 49 9.623 6.896 5.623 1.00 63.12 H new ATOM 0 HB3 ARG A 49 9.777 5.635 6.831 1.00 63.12 H new ATOM 0 HG2 ARG A 49 11.405 4.441 5.355 1.00 20.35 H new ATOM 0 HG3 ARG A 49 11.270 5.732 4.178 1.00 20.35 H new ATOM 0 HD2 ARG A 49 12.035 7.361 5.961 1.00 14.03 H new ATOM 0 HD3 ARG A 49 12.290 6.002 7.037 1.00 14.03 H new ATOM 0 HE ARG A 49 13.690 5.909 4.424 1.00 51.33 H new ATOM 0 HH11 ARG A 49 13.806 6.437 7.878 1.00 12.14 H new ATOM 0 HH12 ARG A 49 15.572 6.377 7.925 1.00 12.14 H new ATOM 0 HH21 ARG A 49 15.900 5.853 4.509 1.00 53.15 H new ATOM 0 HH22 ARG A 49 16.734 6.052 6.054 1.00 53.15 H new ATOM 760 N CYS A 50 9.263 4.332 2.802 1.00 4.04 N ATOM 761 CA CYS A 50 9.297 4.414 1.337 1.00 40.44 C ATOM 762 C CYS A 50 8.879 3.076 0.701 1.00 52.44 C ATOM 763 O CYS A 50 9.724 2.222 0.419 1.00 12.21 O ATOM 764 CB CYS A 50 10.700 4.811 0.851 1.00 72.42 C ATOM 765 SG CYS A 50 11.278 6.416 1.455 1.00 61.25 S ATOM 0 H CYS A 50 9.690 3.488 3.183 1.00 4.04 H new ATOM 0 HA CYS A 50 8.586 5.181 1.028 1.00 40.44 H new ATOM 0 HB2 CYS A 50 11.409 4.043 1.162 1.00 72.42 H new ATOM 0 HB3 CYS A 50 10.703 4.825 -0.239 1.00 72.42 H new ATOM 0 HG CYS A 50 12.468 6.652 0.989 1.00 61.25 H new ATOM 771 N PRO A 51 7.564 2.876 0.465 1.00 4.24 N ATOM 772 CA PRO A 51 7.029 1.616 -0.097 1.00 11.11 C ATOM 773 C PRO A 51 7.641 1.249 -1.464 1.00 3.33 C ATOM 774 O PRO A 51 7.542 0.104 -1.914 1.00 61.40 O ATOM 775 CB PRO A 51 5.517 1.888 -0.228 1.00 22.02 C ATOM 776 CG PRO A 51 5.381 3.373 -0.164 1.00 31.00 C ATOM 777 CD PRO A 51 6.490 3.851 0.729 1.00 12.25 C ATOM 0 HA PRO A 51 7.268 0.765 0.540 1.00 11.11 H new ATOM 0 HB2 PRO A 51 5.126 1.497 -1.167 1.00 22.02 H new ATOM 0 HB3 PRO A 51 4.959 1.406 0.575 1.00 22.02 H new ATOM 0 HG2 PRO A 51 5.461 3.815 -1.157 1.00 31.00 H new ATOM 0 HG3 PRO A 51 4.408 3.659 0.235 1.00 31.00 H new ATOM 0 HD2 PRO A 51 6.797 4.868 0.484 1.00 12.25 H new ATOM 0 HD3 PRO A 51 6.193 3.852 1.778 1.00 12.25 H new ATOM 785 N GLN A 52 8.272 2.226 -2.120 1.00 11.33 N ATOM 786 CA GLN A 52 8.983 1.984 -3.384 1.00 54.13 C ATOM 787 C GLN A 52 10.078 0.909 -3.231 1.00 1.45 C ATOM 788 O GLN A 52 10.485 0.283 -4.205 1.00 52.53 O ATOM 789 CB GLN A 52 9.585 3.303 -3.918 1.00 64.34 C ATOM 790 CG GLN A 52 10.567 4.000 -2.966 1.00 4.24 C ATOM 791 CD GLN A 52 11.950 3.359 -2.936 1.00 24.13 C ATOM 792 OE1 GLN A 52 12.408 2.798 -3.925 1.00 51.55 O ATOM 793 NE2 GLN A 52 12.622 3.431 -1.804 1.00 1.44 N ATOM 0 H GLN A 52 8.307 3.194 -1.799 1.00 11.33 H new ATOM 0 HA GLN A 52 8.258 1.606 -4.105 1.00 54.13 H new ATOM 0 HB2 GLN A 52 10.098 3.097 -4.858 1.00 64.34 H new ATOM 0 HB3 GLN A 52 8.771 3.991 -4.144 1.00 64.34 H new ATOM 0 HG2 GLN A 52 10.667 5.044 -3.262 1.00 4.24 H new ATOM 0 HG3 GLN A 52 10.151 3.992 -1.959 1.00 4.24 H new ATOM 0 HE21 GLN A 52 12.214 3.905 -0.998 1.00 1.44 H new ATOM 0 HE22 GLN A 52 13.550 3.013 -1.734 1.00 1.44 H new ATOM 802 N SER A 53 10.544 0.701 -1.999 1.00 22.14 N ATOM 803 CA SER A 53 11.595 -0.291 -1.720 1.00 12.10 C ATOM 804 C SER A 53 11.037 -1.725 -1.700 1.00 45.20 C ATOM 805 O SER A 53 11.794 -2.696 -1.643 1.00 64.42 O ATOM 806 CB SER A 53 12.273 0.018 -0.373 1.00 21.23 C ATOM 807 OG SER A 53 13.374 -0.848 -0.119 1.00 54.03 O ATOM 0 H SER A 53 10.213 1.204 -1.175 1.00 22.14 H new ATOM 0 HA SER A 53 12.328 -0.225 -2.524 1.00 12.10 H new ATOM 0 HB2 SER A 53 12.617 1.052 -0.369 1.00 21.23 H new ATOM 0 HB3 SER A 53 11.543 -0.078 0.431 1.00 21.23 H new ATOM 0 HG SER A 53 13.185 -1.735 -0.491 1.00 54.03 H new ATOM 813 N VAL A 54 9.712 -1.855 -1.728 1.00 22.44 N ATOM 814 CA VAL A 54 9.056 -3.172 -1.723 1.00 3.52 C ATOM 815 C VAL A 54 8.469 -3.519 -3.104 1.00 33.53 C ATOM 816 O VAL A 54 8.513 -4.669 -3.543 1.00 12.00 O ATOM 817 CB VAL A 54 7.927 -3.233 -0.660 1.00 32.34 C ATOM 818 CG1 VAL A 54 7.350 -4.646 -0.557 1.00 24.14 C ATOM 819 CG2 VAL A 54 8.430 -2.744 0.702 1.00 65.42 C ATOM 0 H VAL A 54 9.066 -1.066 -1.754 1.00 22.44 H new ATOM 0 HA VAL A 54 9.825 -3.903 -1.474 1.00 3.52 H new ATOM 0 HB VAL A 54 7.126 -2.566 -0.980 1.00 32.34 H new ATOM 0 HG11 VAL A 54 6.561 -4.663 0.194 1.00 24.14 H new ATOM 0 HG12 VAL A 54 6.939 -4.942 -1.522 1.00 24.14 H new ATOM 0 HG13 VAL A 54 8.139 -5.341 -0.270 1.00 24.14 H new ATOM 0 HG21 VAL A 54 7.620 -2.797 1.429 1.00 65.42 H new ATOM 0 HG22 VAL A 54 9.256 -3.374 1.032 1.00 65.42 H new ATOM 0 HG23 VAL A 54 8.773 -1.713 0.615 1.00 65.42 H new ATOM 829 N GLY A 55 7.920 -2.516 -3.787 1.00 52.43 N ATOM 830 CA GLY A 55 7.304 -2.737 -5.095 1.00 21.50 C ATOM 831 C GLY A 55 5.795 -2.947 -5.010 1.00 4.34 C ATOM 832 O GLY A 55 5.018 -2.033 -5.290 1.00 53.23 O ATOM 0 H GLY A 55 7.889 -1.550 -3.460 1.00 52.43 H new ATOM 0 HA2 GLY A 55 7.512 -1.882 -5.738 1.00 21.50 H new ATOM 0 HA3 GLY A 55 7.762 -3.608 -5.565 1.00 21.50 H new ATOM 836 N TRP A 56 5.384 -4.154 -4.618 1.00 31.10 N ATOM 837 CA TRP A 56 3.960 -4.485 -4.428 1.00 50.51 C ATOM 838 C TRP A 56 3.681 -4.938 -2.983 1.00 33.35 C ATOM 839 O TRP A 56 4.448 -5.705 -2.397 1.00 13.50 O ATOM 840 CB TRP A 56 3.507 -5.557 -5.439 1.00 23.24 C ATOM 841 CG TRP A 56 4.585 -6.528 -5.839 1.00 72.55 C ATOM 842 CD1 TRP A 56 5.221 -7.433 -5.041 1.00 43.23 C ATOM 843 CD2 TRP A 56 5.142 -6.687 -7.149 1.00 54.20 C ATOM 844 NE1 TRP A 56 6.148 -8.135 -5.773 1.00 23.22 N ATOM 845 CE2 TRP A 56 6.114 -7.700 -7.069 1.00 13.01 C ATOM 846 CE3 TRP A 56 4.912 -6.069 -8.383 1.00 71.43 C ATOM 847 CZ2 TRP A 56 6.856 -8.108 -8.174 1.00 2.34 C ATOM 848 CZ3 TRP A 56 5.649 -6.476 -9.479 1.00 74.12 C ATOM 849 CH2 TRP A 56 6.610 -7.489 -9.369 1.00 2.13 C ATOM 0 H TRP A 56 6.019 -4.928 -4.423 1.00 31.10 H new ATOM 0 HA TRP A 56 3.380 -3.580 -4.610 1.00 50.51 H new ATOM 0 HB2 TRP A 56 2.674 -6.114 -5.011 1.00 23.24 H new ATOM 0 HB3 TRP A 56 3.132 -5.060 -6.334 1.00 23.24 H new ATOM 0 HD1 TRP A 56 5.025 -7.577 -3.989 1.00 43.23 H new ATOM 0 HE1 TRP A 56 6.762 -8.863 -5.409 1.00 23.22 H new ATOM 0 HE3 TRP A 56 4.172 -5.288 -8.477 1.00 71.43 H new ATOM 0 HZ2 TRP A 56 7.600 -8.886 -8.091 1.00 2.34 H new ATOM 0 HZ3 TRP A 56 5.481 -6.005 -10.436 1.00 74.12 H new ATOM 0 HH2 TRP A 56 7.168 -7.787 -10.245 1.00 2.13 H new ATOM 860 N MET A 57 2.574 -4.456 -2.418 1.00 72.14 N ATOM 861 CA MET A 57 2.255 -4.653 -0.996 1.00 53.23 C ATOM 862 C MET A 57 0.757 -4.954 -0.786 1.00 31.32 C ATOM 863 O MET A 57 -0.097 -4.350 -1.432 1.00 21.23 O ATOM 864 CB MET A 57 2.631 -3.385 -0.209 1.00 14.33 C ATOM 865 CG MET A 57 4.107 -3.015 -0.295 1.00 41.52 C ATOM 866 SD MET A 57 4.446 -1.337 0.274 1.00 24.34 S ATOM 867 CE MET A 57 3.809 -1.396 1.947 1.00 52.42 C ATOM 0 H MET A 57 1.872 -3.919 -2.928 1.00 72.14 H new ATOM 0 HA MET A 57 2.827 -5.509 -0.638 1.00 53.23 H new ATOM 0 HB2 MET A 57 2.036 -2.550 -0.580 1.00 14.33 H new ATOM 0 HB3 MET A 57 2.363 -3.527 0.838 1.00 14.33 H new ATOM 0 HG2 MET A 57 4.688 -3.719 0.301 1.00 41.52 H new ATOM 0 HG3 MET A 57 4.442 -3.118 -1.327 1.00 41.52 H new ATOM 0 HE1 MET A 57 4.488 -0.865 2.614 1.00 52.42 H new ATOM 0 HE2 MET A 57 2.827 -0.925 1.979 1.00 52.42 H new ATOM 0 HE3 MET A 57 3.724 -2.434 2.268 1.00 52.42 H new ATOM 877 N PRO A 58 0.415 -5.895 0.117 1.00 33.41 N ATOM 878 CA PRO A 58 -0.984 -6.163 0.481 1.00 14.31 C ATOM 879 C PRO A 58 -1.519 -5.172 1.536 1.00 43.35 C ATOM 880 O PRO A 58 -1.018 -5.112 2.662 1.00 65.31 O ATOM 881 CB PRO A 58 -0.916 -7.586 1.043 1.00 2.44 C ATOM 882 CG PRO A 58 0.445 -7.682 1.654 1.00 43.33 C ATOM 883 CD PRO A 58 1.350 -6.789 0.830 1.00 52.25 C ATOM 0 HA PRO A 58 -1.666 -6.053 -0.362 1.00 14.31 H new ATOM 0 HB2 PRO A 58 -1.697 -7.758 1.784 1.00 2.44 H new ATOM 0 HB3 PRO A 58 -1.052 -8.330 0.258 1.00 2.44 H new ATOM 0 HG2 PRO A 58 0.426 -7.360 2.695 1.00 43.33 H new ATOM 0 HG3 PRO A 58 0.803 -8.712 1.645 1.00 43.33 H new ATOM 0 HD2 PRO A 58 2.038 -6.226 1.461 1.00 52.25 H new ATOM 0 HD3 PRO A 58 1.957 -7.368 0.135 1.00 52.25 H new ATOM 891 N GLY A 59 -2.537 -4.392 1.172 1.00 34.53 N ATOM 892 CA GLY A 59 -3.083 -3.396 2.093 1.00 65.03 C ATOM 893 C GLY A 59 -4.597 -3.232 1.992 1.00 3.43 C ATOM 894 O GLY A 59 -5.233 -3.775 1.088 1.00 64.41 O ATOM 0 H GLY A 59 -2.994 -4.429 0.261 1.00 34.53 H new ATOM 0 HA2 GLY A 59 -2.824 -3.677 3.114 1.00 65.03 H new ATOM 0 HA3 GLY A 59 -2.608 -2.434 1.897 1.00 65.03 H new ATOM 898 N LEU A 60 -5.167 -2.469 2.924 1.00 34.11 N ATOM 899 CA LEU A 60 -6.617 -2.248 2.987 1.00 2.41 C ATOM 900 C LEU A 60 -7.005 -0.929 2.298 1.00 50.31 C ATOM 901 O LEU A 60 -6.712 0.153 2.801 1.00 43.44 O ATOM 902 CB LEU A 60 -7.069 -2.219 4.455 1.00 22.33 C ATOM 903 CG LEU A 60 -8.587 -2.123 4.681 1.00 35.12 C ATOM 904 CD1 LEU A 60 -9.285 -3.391 4.204 1.00 61.14 C ATOM 905 CD2 LEU A 60 -8.901 -1.851 6.152 1.00 23.33 C ATOM 0 H LEU A 60 -4.643 -1.988 3.654 1.00 34.11 H new ATOM 0 HA LEU A 60 -7.114 -3.065 2.464 1.00 2.41 H new ATOM 0 HB2 LEU A 60 -6.703 -3.120 4.947 1.00 22.33 H new ATOM 0 HB3 LEU A 60 -6.592 -1.371 4.947 1.00 22.33 H new ATOM 0 HG LEU A 60 -8.965 -1.286 4.094 1.00 35.12 H new ATOM 0 HD11 LEU A 60 -10.358 -3.301 4.373 1.00 61.14 H new ATOM 0 HD12 LEU A 60 -9.096 -3.532 3.140 1.00 61.14 H new ATOM 0 HD13 LEU A 60 -8.901 -4.248 4.757 1.00 61.14 H new ATOM 0 HD21 LEU A 60 -9.981 -1.787 6.288 1.00 23.33 H new ATOM 0 HD22 LEU A 60 -8.506 -2.661 6.764 1.00 23.33 H new ATOM 0 HD23 LEU A 60 -8.441 -0.910 6.454 1.00 23.33 H new ATOM 917 N ASN A 61 -7.656 -1.033 1.142 1.00 31.31 N ATOM 918 CA ASN A 61 -8.095 0.142 0.382 1.00 25.53 C ATOM 919 C ASN A 61 -9.392 0.737 0.960 1.00 24.15 C ATOM 920 O ASN A 61 -10.442 0.096 0.936 1.00 43.43 O ATOM 921 CB ASN A 61 -8.285 -0.238 -1.094 1.00 40.44 C ATOM 922 CG ASN A 61 -9.033 0.824 -1.876 1.00 52.42 C ATOM 923 OD1 ASN A 61 -10.243 0.740 -2.053 1.00 71.11 O ATOM 924 ND2 ASN A 61 -8.329 1.841 -2.322 1.00 12.51 N ATOM 0 H ASN A 61 -7.894 -1.924 0.706 1.00 31.31 H new ATOM 0 HA ASN A 61 -7.324 0.908 0.460 1.00 25.53 H new ATOM 0 HB2 ASN A 61 -7.310 -0.402 -1.552 1.00 40.44 H new ATOM 0 HB3 ASN A 61 -8.829 -1.181 -1.156 1.00 40.44 H new ATOM 0 HD21 ASN A 61 -8.789 2.594 -2.834 1.00 12.51 H new ATOM 0 HD22 ASN A 61 -7.323 1.877 -2.156 1.00 12.51 H new ATOM 931 N GLU A 62 -9.318 1.975 1.449 1.00 31.32 N ATOM 932 CA GLU A 62 -10.471 2.636 2.073 1.00 22.21 C ATOM 933 C GLU A 62 -11.571 2.997 1.058 1.00 71.00 C ATOM 934 O GLU A 62 -12.731 3.175 1.437 1.00 11.21 O ATOM 935 CB GLU A 62 -10.020 3.889 2.843 1.00 72.42 C ATOM 936 CG GLU A 62 -9.217 3.575 4.106 1.00 33.13 C ATOM 937 CD GLU A 62 -10.043 2.854 5.168 1.00 33.42 C ATOM 938 OE1 GLU A 62 -10.735 3.540 5.954 1.00 34.21 O ATOM 939 OE2 GLU A 62 -10.023 1.603 5.208 1.00 15.24 O ATOM 0 H GLU A 62 -8.471 2.544 1.426 1.00 31.32 H new ATOM 0 HA GLU A 62 -10.906 1.920 2.771 1.00 22.21 H new ATOM 0 HB2 GLU A 62 -9.416 4.512 2.184 1.00 72.42 H new ATOM 0 HB3 GLU A 62 -10.899 4.473 3.117 1.00 72.42 H new ATOM 0 HG2 GLU A 62 -8.357 2.959 3.841 1.00 33.13 H new ATOM 0 HG3 GLU A 62 -8.827 4.503 4.524 1.00 33.13 H new ATOM 946 N ARG A 63 -11.221 3.099 -0.224 1.00 73.01 N ATOM 947 CA ARG A 63 -12.219 3.372 -1.268 1.00 3.14 C ATOM 948 C ARG A 63 -13.288 2.265 -1.324 1.00 63.31 C ATOM 949 O ARG A 63 -14.462 2.529 -1.582 1.00 73.21 O ATOM 950 CB ARG A 63 -11.544 3.511 -2.643 1.00 73.54 C ATOM 951 CG ARG A 63 -12.459 4.023 -3.759 1.00 34.13 C ATOM 952 CD ARG A 63 -12.823 5.502 -3.589 1.00 3.31 C ATOM 953 NE ARG A 63 -13.739 5.739 -2.471 1.00 54.21 N ATOM 954 CZ ARG A 63 -13.476 6.520 -1.454 1.00 51.11 C ATOM 955 NH1 ARG A 63 -12.316 7.079 -1.329 1.00 35.43 N ATOM 956 NH2 ARG A 63 -14.369 6.710 -0.540 1.00 0.41 N ATOM 0 H ARG A 63 -10.265 2.999 -0.566 1.00 73.01 H new ATOM 0 HA ARG A 63 -12.708 4.312 -1.014 1.00 3.14 H new ATOM 0 HB2 ARG A 63 -10.695 4.189 -2.549 1.00 73.54 H new ATOM 0 HB3 ARG A 63 -11.145 2.540 -2.936 1.00 73.54 H new ATOM 0 HG2 ARG A 63 -11.967 3.882 -4.721 1.00 34.13 H new ATOM 0 HG3 ARG A 63 -13.372 3.428 -3.778 1.00 34.13 H new ATOM 0 HD2 ARG A 63 -11.912 6.080 -3.434 1.00 3.31 H new ATOM 0 HD3 ARG A 63 -13.279 5.867 -4.509 1.00 3.31 H new ATOM 0 HE ARG A 63 -14.642 5.264 -2.486 1.00 54.21 H new ATOM 0 HH11 ARG A 63 -11.592 6.913 -2.028 1.00 35.43 H new ATOM 0 HH12 ARG A 63 -12.125 7.685 -0.531 1.00 35.43 H new ATOM 0 HH21 ARG A 63 -15.277 6.252 -0.611 1.00 0.41 H new ATOM 0 HH22 ARG A 63 -14.166 7.318 0.253 1.00 0.41 H new ATOM 970 N THR A 64 -12.868 1.024 -1.079 1.00 51.04 N ATOM 971 CA THR A 64 -13.771 -0.138 -1.114 1.00 64.33 C ATOM 972 C THR A 64 -13.831 -0.859 0.242 1.00 33.24 C ATOM 973 O THR A 64 -14.654 -1.753 0.440 1.00 34.44 O ATOM 974 CB THR A 64 -13.309 -1.159 -2.182 1.00 75.53 C ATOM 975 OG1 THR A 64 -11.989 -1.632 -1.865 1.00 51.33 O ATOM 976 CG2 THR A 64 -13.307 -0.538 -3.578 1.00 35.50 C ATOM 0 H THR A 64 -11.901 0.791 -0.852 1.00 51.04 H new ATOM 0 HA THR A 64 -14.761 0.247 -1.359 1.00 64.33 H new ATOM 0 HB THR A 64 -14.011 -1.992 -2.178 1.00 75.53 H new ATOM 0 HG1 THR A 64 -11.355 -0.887 -1.911 1.00 51.33 H new ATOM 0 HG21 THR A 64 -12.978 -1.280 -4.306 1.00 35.50 H new ATOM 0 HG22 THR A 64 -14.314 -0.205 -3.829 1.00 35.50 H new ATOM 0 HG23 THR A 64 -12.628 0.314 -3.596 1.00 35.50 H new ATOM 984 N ARG A 65 -12.955 -0.459 1.165 1.00 55.21 N ATOM 985 CA ARG A 65 -12.781 -1.134 2.466 1.00 41.32 C ATOM 986 C ARG A 65 -12.302 -2.591 2.293 1.00 60.53 C ATOM 987 O ARG A 65 -12.396 -3.396 3.220 1.00 60.15 O ATOM 988 CB ARG A 65 -14.073 -1.116 3.310 1.00 30.13 C ATOM 989 CG ARG A 65 -14.717 0.259 3.497 1.00 64.22 C ATOM 990 CD ARG A 65 -13.710 1.364 3.826 1.00 62.24 C ATOM 991 NE ARG A 65 -12.752 1.009 4.877 1.00 63.25 N ATOM 992 CZ ARG A 65 -13.029 0.920 6.152 1.00 20.33 C ATOM 993 NH1 ARG A 65 -14.248 1.002 6.588 1.00 3.32 N ATOM 994 NH2 ARG A 65 -12.062 0.751 6.993 1.00 64.41 N ATOM 0 H ARG A 65 -12.340 0.345 1.037 1.00 55.21 H new ATOM 0 HA ARG A 65 -12.015 -0.569 2.997 1.00 41.32 H new ATOM 0 HB2 ARG A 65 -14.801 -1.779 2.842 1.00 30.13 H new ATOM 0 HB3 ARG A 65 -13.850 -1.530 4.293 1.00 30.13 H new ATOM 0 HG2 ARG A 65 -15.254 0.527 2.587 1.00 64.22 H new ATOM 0 HG3 ARG A 65 -15.455 0.200 4.297 1.00 64.22 H new ATOM 0 HD2 ARG A 65 -13.160 1.621 2.920 1.00 62.24 H new ATOM 0 HD3 ARG A 65 -14.255 2.257 4.133 1.00 62.24 H new ATOM 0 HE ARG A 65 -11.792 0.816 4.591 1.00 63.25 H new ATOM 0 HH11 ARG A 65 -15.016 1.139 5.931 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -14.438 0.930 7.588 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -11.100 0.689 6.659 1.00 64.41 H new ATOM 0 HH22 ARG A 65 -12.261 0.680 7.991 1.00 64.41 H new ATOM 1008 N GLN A 66 -11.776 -2.920 1.112 1.00 30.22 N ATOM 1009 CA GLN A 66 -11.282 -4.277 0.827 1.00 22.41 C ATOM 1010 C GLN A 66 -9.749 -4.331 0.781 1.00 2.51 C ATOM 1011 O GLN A 66 -9.082 -3.336 0.496 1.00 52.33 O ATOM 1012 CB GLN A 66 -11.867 -4.798 -0.494 1.00 43.31 C ATOM 1013 CG GLN A 66 -13.340 -5.195 -0.406 1.00 14.41 C ATOM 1014 CD GLN A 66 -13.584 -6.325 0.589 1.00 41.11 C ATOM 1015 OE1 GLN A 66 -12.712 -7.152 0.837 1.00 52.12 O ATOM 1016 NE2 GLN A 66 -14.773 -6.383 1.154 1.00 72.31 N ATOM 0 H GLN A 66 -11.679 -2.268 0.334 1.00 30.22 H new ATOM 0 HA GLN A 66 -11.613 -4.919 1.643 1.00 22.41 H new ATOM 0 HB2 GLN A 66 -11.753 -4.029 -1.258 1.00 43.31 H new ATOM 0 HB3 GLN A 66 -11.287 -5.661 -0.821 1.00 43.31 H new ATOM 0 HG2 GLN A 66 -13.930 -4.326 -0.115 1.00 14.41 H new ATOM 0 HG3 GLN A 66 -13.689 -5.502 -1.392 1.00 14.41 H new ATOM 0 HE21 GLN A 66 -15.479 -5.682 0.929 1.00 72.31 H new ATOM 0 HE22 GLN A 66 -14.987 -7.129 1.816 1.00 72.31 H new ATOM 1025 N ARG A 67 -9.199 -5.511 1.060 1.00 30.33 N ATOM 1026 CA ARG A 67 -7.745 -5.705 1.102 1.00 12.35 C ATOM 1027 C ARG A 67 -7.234 -6.373 -0.189 1.00 54.34 C ATOM 1028 O ARG A 67 -7.814 -7.350 -0.667 1.00 22.43 O ATOM 1029 CB ARG A 67 -7.363 -6.573 2.312 1.00 12.41 C ATOM 1030 CG ARG A 67 -5.862 -6.612 2.593 1.00 72.24 C ATOM 1031 CD ARG A 67 -5.486 -7.776 3.503 1.00 25.41 C ATOM 1032 NE ARG A 67 -5.641 -9.057 2.818 1.00 3.12 N ATOM 1033 CZ ARG A 67 -5.627 -10.221 3.405 1.00 31.22 C ATOM 1034 NH1 ARG A 67 -5.528 -10.316 4.694 1.00 51.31 N ATOM 1035 NH2 ARG A 67 -5.731 -11.292 2.691 1.00 72.24 N ATOM 0 H ARG A 67 -9.738 -6.353 1.262 1.00 30.33 H new ATOM 0 HA ARG A 67 -7.280 -4.724 1.192 1.00 12.35 H new ATOM 0 HB2 ARG A 67 -7.879 -6.196 3.195 1.00 12.41 H new ATOM 0 HB3 ARG A 67 -7.719 -7.590 2.145 1.00 12.41 H new ATOM 0 HG2 ARG A 67 -5.318 -6.696 1.652 1.00 72.24 H new ATOM 0 HG3 ARG A 67 -5.555 -5.674 3.056 1.00 72.24 H new ATOM 0 HD2 ARG A 67 -4.454 -7.662 3.836 1.00 25.41 H new ATOM 0 HD3 ARG A 67 -6.112 -7.760 4.395 1.00 25.41 H new ATOM 0 HE ARG A 67 -5.770 -9.039 1.806 1.00 3.12 H new ATOM 0 HH11 ARG A 67 -5.460 -9.473 5.264 1.00 51.31 H new ATOM 0 HH12 ARG A 67 -5.518 -11.234 5.138 1.00 51.31 H new ATOM 0 HH21 ARG A 67 -5.823 -11.222 1.678 1.00 72.24 H new ATOM 0 HH22 ARG A 67 -5.721 -12.208 3.141 1.00 72.24 H new ATOM 1049 N GLY A 68 -6.144 -5.849 -0.742 1.00 13.24 N ATOM 1050 CA GLY A 68 -5.563 -6.426 -1.951 1.00 63.11 C ATOM 1051 C GLY A 68 -4.085 -6.089 -2.121 1.00 73.11 C ATOM 1052 O GLY A 68 -3.534 -5.286 -1.368 1.00 34.45 O ATOM 0 H GLY A 68 -5.649 -5.035 -0.378 1.00 13.24 H new ATOM 0 HA2 GLY A 68 -5.682 -7.509 -1.924 1.00 63.11 H new ATOM 0 HA3 GLY A 68 -6.114 -6.066 -2.820 1.00 63.11 H new ATOM 1056 N ASP A 69 -3.443 -6.709 -3.109 1.00 25.23 N ATOM 1057 CA ASP A 69 -2.028 -6.457 -3.398 1.00 51.31 C ATOM 1058 C ASP A 69 -1.882 -5.317 -4.425 1.00 54.12 C ATOM 1059 O ASP A 69 -2.288 -5.451 -5.583 1.00 42.33 O ATOM 1060 CB ASP A 69 -1.369 -7.743 -3.913 1.00 2.14 C ATOM 1061 CG ASP A 69 0.146 -7.636 -3.989 1.00 2.12 C ATOM 1062 OD1 ASP A 69 0.817 -7.953 -2.981 1.00 3.23 O ATOM 1063 OD2 ASP A 69 0.668 -7.250 -5.053 1.00 5.32 O ATOM 0 H ASP A 69 -3.880 -7.393 -3.727 1.00 25.23 H new ATOM 0 HA ASP A 69 -1.526 -6.149 -2.481 1.00 51.31 H new ATOM 0 HB2 ASP A 69 -1.638 -8.572 -3.258 1.00 2.14 H new ATOM 0 HB3 ASP A 69 -1.763 -7.977 -4.902 1.00 2.14 H new ATOM 1068 N PHE A 70 -1.322 -4.191 -3.985 1.00 64.11 N ATOM 1069 CA PHE A 70 -1.176 -3.002 -4.837 1.00 44.41 C ATOM 1070 C PHE A 70 0.298 -2.579 -4.967 1.00 34.13 C ATOM 1071 O PHE A 70 1.091 -2.771 -4.044 1.00 64.34 O ATOM 1072 CB PHE A 70 -2.003 -1.840 -4.258 1.00 63.54 C ATOM 1073 CG PHE A 70 -1.505 -1.338 -2.924 1.00 60.44 C ATOM 1074 CD1 PHE A 70 -1.886 -1.958 -1.743 1.00 25.03 C ATOM 1075 CD2 PHE A 70 -0.655 -0.241 -2.853 1.00 62.03 C ATOM 1076 CE1 PHE A 70 -1.429 -1.499 -0.523 1.00 11.34 C ATOM 1077 CE2 PHE A 70 -0.196 0.221 -1.636 1.00 35.35 C ATOM 1078 CZ PHE A 70 -0.583 -0.408 -0.469 1.00 72.25 C ATOM 0 H PHE A 70 -0.959 -4.073 -3.039 1.00 64.11 H new ATOM 0 HA PHE A 70 -1.543 -3.254 -5.832 1.00 44.41 H new ATOM 0 HB2 PHE A 70 -1.999 -1.015 -4.970 1.00 63.54 H new ATOM 0 HB3 PHE A 70 -3.038 -2.163 -4.150 1.00 63.54 H new ATOM 0 HD1 PHE A 70 -2.548 -2.810 -1.778 1.00 25.03 H new ATOM 0 HD2 PHE A 70 -0.350 0.256 -3.762 1.00 62.03 H new ATOM 0 HE1 PHE A 70 -1.733 -1.993 0.388 1.00 11.34 H new ATOM 0 HE2 PHE A 70 0.465 1.074 -1.596 1.00 35.35 H new ATOM 0 HZ PHE A 70 -0.225 -0.048 0.484 1.00 72.25 H new ATOM 1088 N PRO A 71 0.692 -1.984 -6.109 1.00 73.14 N ATOM 1089 CA PRO A 71 2.064 -1.499 -6.310 1.00 71.45 C ATOM 1090 C PRO A 71 2.420 -0.323 -5.379 1.00 52.43 C ATOM 1091 O PRO A 71 2.129 0.839 -5.680 1.00 43.43 O ATOM 1092 CB PRO A 71 2.092 -1.058 -7.788 1.00 74.41 C ATOM 1093 CG PRO A 71 0.866 -1.658 -8.400 1.00 64.44 C ATOM 1094 CD PRO A 71 -0.148 -1.747 -7.293 1.00 12.22 C ATOM 0 HA PRO A 71 2.799 -2.270 -6.077 1.00 71.45 H new ATOM 0 HB2 PRO A 71 2.084 0.029 -7.875 1.00 74.41 H new ATOM 0 HB3 PRO A 71 2.994 -1.411 -8.287 1.00 74.41 H new ATOM 0 HG2 PRO A 71 0.497 -1.041 -9.219 1.00 64.44 H new ATOM 0 HG3 PRO A 71 1.079 -2.643 -8.814 1.00 64.44 H new ATOM 0 HD2 PRO A 71 -0.729 -0.830 -7.201 1.00 12.22 H new ATOM 0 HD3 PRO A 71 -0.857 -2.559 -7.457 1.00 12.22 H new ATOM 1102 N GLY A 72 3.048 -0.642 -4.243 1.00 2.13 N ATOM 1103 CA GLY A 72 3.426 0.376 -3.262 1.00 22.21 C ATOM 1104 C GLY A 72 4.345 1.459 -3.829 1.00 40.14 C ATOM 1105 O GLY A 72 4.452 2.549 -3.273 1.00 40.04 O ATOM 0 H GLY A 72 3.304 -1.594 -3.982 1.00 2.13 H new ATOM 0 HA2 GLY A 72 2.523 0.845 -2.871 1.00 22.21 H new ATOM 0 HA3 GLY A 72 3.923 -0.108 -2.421 1.00 22.21 H new ATOM 1109 N THR A 73 5.002 1.161 -4.947 1.00 32.52 N ATOM 1110 CA THR A 73 5.889 2.130 -5.611 1.00 63.22 C ATOM 1111 C THR A 73 5.136 3.390 -6.079 1.00 22.14 C ATOM 1112 O THR A 73 5.757 4.405 -6.398 1.00 21.51 O ATOM 1113 CB THR A 73 6.616 1.501 -6.828 1.00 53.43 C ATOM 1114 OG1 THR A 73 7.446 2.481 -7.478 1.00 60.22 O ATOM 1115 CG2 THR A 73 5.617 0.930 -7.831 1.00 13.12 C ATOM 0 H THR A 73 4.941 0.258 -5.417 1.00 32.52 H new ATOM 0 HA THR A 73 6.623 2.420 -4.859 1.00 63.22 H new ATOM 0 HB THR A 73 7.240 0.688 -6.458 1.00 53.43 H new ATOM 0 HG1 THR A 73 7.082 3.377 -7.317 1.00 60.22 H new ATOM 0 HG21 THR A 73 6.155 0.496 -8.674 1.00 13.12 H new ATOM 0 HG22 THR A 73 5.016 0.159 -7.348 1.00 13.12 H new ATOM 0 HG23 THR A 73 4.965 1.727 -8.189 1.00 13.12 H new ATOM 1123 N TYR A 74 3.802 3.327 -6.122 1.00 44.11 N ATOM 1124 CA TYR A 74 2.983 4.468 -6.566 1.00 31.14 C ATOM 1125 C TYR A 74 2.342 5.232 -5.389 1.00 42.01 C ATOM 1126 O TYR A 74 1.643 6.227 -5.600 1.00 62.52 O ATOM 1127 CB TYR A 74 1.875 3.988 -7.511 1.00 33.15 C ATOM 1128 CG TYR A 74 2.370 3.384 -8.814 1.00 61.52 C ATOM 1129 CD1 TYR A 74 3.240 4.085 -9.643 1.00 63.21 C ATOM 1130 CD2 TYR A 74 1.954 2.120 -9.222 1.00 2.32 C ATOM 1131 CE1 TYR A 74 3.682 3.542 -10.835 1.00 62.33 C ATOM 1132 CE2 TYR A 74 2.390 1.573 -10.413 1.00 71.01 C ATOM 1133 CZ TYR A 74 3.253 2.287 -11.214 1.00 64.13 C ATOM 1134 OH TYR A 74 3.683 1.745 -12.406 1.00 62.00 O ATOM 0 H TYR A 74 3.264 2.502 -5.856 1.00 44.11 H new ATOM 0 HA TYR A 74 3.655 5.152 -7.084 1.00 31.14 H new ATOM 0 HB2 TYR A 74 1.268 3.247 -6.991 1.00 33.15 H new ATOM 0 HB3 TYR A 74 1.223 4.830 -7.741 1.00 33.15 H new ATOM 0 HD1 TYR A 74 3.575 5.069 -9.351 1.00 63.21 H new ATOM 0 HD2 TYR A 74 1.278 1.557 -8.596 1.00 2.32 H new ATOM 0 HE1 TYR A 74 4.360 4.098 -11.466 1.00 62.33 H new ATOM 0 HE2 TYR A 74 2.056 0.591 -10.714 1.00 71.01 H new ATOM 0 HH TYR A 74 3.289 0.855 -12.522 1.00 62.00 H new ATOM 1144 N VAL A 75 2.565 4.774 -4.157 1.00 2.13 N ATOM 1145 CA VAL A 75 1.944 5.404 -2.980 1.00 73.13 C ATOM 1146 C VAL A 75 2.984 6.066 -2.060 1.00 55.00 C ATOM 1147 O VAL A 75 4.186 5.807 -2.164 1.00 51.24 O ATOM 1148 CB VAL A 75 1.104 4.386 -2.160 1.00 32.32 C ATOM 1149 CG1 VAL A 75 0.019 3.753 -3.030 1.00 45.24 C ATOM 1150 CG2 VAL A 75 1.991 3.315 -1.529 1.00 11.11 C ATOM 0 H VAL A 75 3.164 3.977 -3.944 1.00 2.13 H new ATOM 0 HA VAL A 75 1.282 6.179 -3.367 1.00 73.13 H new ATOM 0 HB VAL A 75 0.617 4.931 -1.351 1.00 32.32 H new ATOM 0 HG11 VAL A 75 -0.557 3.044 -2.435 1.00 45.24 H new ATOM 0 HG12 VAL A 75 -0.644 4.531 -3.409 1.00 45.24 H new ATOM 0 HG13 VAL A 75 0.482 3.232 -3.868 1.00 45.24 H new ATOM 0 HG21 VAL A 75 1.373 2.618 -0.962 1.00 11.11 H new ATOM 0 HG22 VAL A 75 2.522 2.774 -2.312 1.00 11.11 H new ATOM 0 HG23 VAL A 75 2.712 3.787 -0.861 1.00 11.11 H new ATOM 1160 N GLU A 76 2.509 6.932 -1.166 1.00 54.12 N ATOM 1161 CA GLU A 76 3.382 7.624 -0.208 1.00 71.30 C ATOM 1162 C GLU A 76 3.042 7.251 1.243 1.00 14.41 C ATOM 1163 O GLU A 76 1.887 6.975 1.575 1.00 61.44 O ATOM 1164 CB GLU A 76 3.275 9.146 -0.386 1.00 34.33 C ATOM 1165 CG GLU A 76 1.869 9.702 -0.168 1.00 73.51 C ATOM 1166 CD GLU A 76 1.815 11.221 -0.243 1.00 1.23 C ATOM 1167 OE1 GLU A 76 1.981 11.776 -1.351 1.00 0.43 O ATOM 1168 OE2 GLU A 76 1.616 11.870 0.807 1.00 22.12 O ATOM 0 H GLU A 76 1.522 7.174 -1.082 1.00 54.12 H new ATOM 0 HA GLU A 76 4.404 7.304 -0.412 1.00 71.30 H new ATOM 0 HB2 GLU A 76 3.958 9.631 0.311 1.00 34.33 H new ATOM 0 HB3 GLU A 76 3.606 9.408 -1.391 1.00 34.33 H new ATOM 0 HG2 GLU A 76 1.198 9.282 -0.917 1.00 73.51 H new ATOM 0 HG3 GLU A 76 1.503 9.378 0.806 1.00 73.51 H new ATOM 1175 N PHE A 77 4.057 7.255 2.100 1.00 44.33 N ATOM 1176 CA PHE A 77 3.883 6.953 3.525 1.00 64.40 C ATOM 1177 C PHE A 77 3.323 8.161 4.297 1.00 4.02 C ATOM 1178 O PHE A 77 3.952 9.219 4.366 1.00 62.22 O ATOM 1179 CB PHE A 77 5.227 6.511 4.126 1.00 53.34 C ATOM 1180 CG PHE A 77 5.229 6.396 5.632 1.00 73.33 C ATOM 1181 CD1 PHE A 77 4.460 5.436 6.271 1.00 75.02 C ATOM 1182 CD2 PHE A 77 6.001 7.253 6.408 1.00 15.03 C ATOM 1183 CE1 PHE A 77 4.462 5.333 7.648 1.00 22.33 C ATOM 1184 CE2 PHE A 77 6.005 7.152 7.786 1.00 71.25 C ATOM 1185 CZ PHE A 77 5.234 6.190 8.406 1.00 2.54 C ATOM 0 H PHE A 77 5.019 7.465 1.834 1.00 44.33 H new ATOM 0 HA PHE A 77 3.159 6.143 3.616 1.00 64.40 H new ATOM 0 HB2 PHE A 77 5.502 5.546 3.700 1.00 53.34 H new ATOM 0 HB3 PHE A 77 5.997 7.223 3.827 1.00 53.34 H new ATOM 0 HD1 PHE A 77 3.853 4.761 5.686 1.00 75.02 H new ATOM 0 HD2 PHE A 77 6.606 8.008 5.927 1.00 15.03 H new ATOM 0 HE1 PHE A 77 3.858 4.580 8.133 1.00 22.33 H new ATOM 0 HE2 PHE A 77 6.610 7.824 8.376 1.00 71.25 H new ATOM 0 HZ PHE A 77 5.235 6.108 9.483 1.00 2.54 H new ATOM 1195 N LEU A 78 2.137 7.993 4.882 1.00 71.14 N ATOM 1196 CA LEU A 78 1.510 9.047 5.688 1.00 52.43 C ATOM 1197 C LEU A 78 1.925 8.935 7.165 1.00 32.32 C ATOM 1198 O LEU A 78 2.624 9.804 7.695 1.00 45.22 O ATOM 1199 CB LEU A 78 -0.020 8.963 5.568 1.00 64.12 C ATOM 1200 CG LEU A 78 -0.570 9.003 4.133 1.00 50.33 C ATOM 1201 CD1 LEU A 78 -2.088 8.841 4.135 1.00 5.14 C ATOM 1202 CD2 LEU A 78 -0.162 10.297 3.428 1.00 5.25 C ATOM 0 H LEU A 78 1.588 7.136 4.814 1.00 71.14 H new ATOM 0 HA LEU A 78 1.850 10.011 5.309 1.00 52.43 H new ATOM 0 HB2 LEU A 78 -0.355 8.040 6.042 1.00 64.12 H new ATOM 0 HB3 LEU A 78 -0.458 9.788 6.130 1.00 64.12 H new ATOM 0 HG LEU A 78 -0.138 8.169 3.580 1.00 50.33 H new ATOM 0 HD11 LEU A 78 -2.459 8.872 3.110 1.00 5.14 H new ATOM 0 HD12 LEU A 78 -2.351 7.885 4.587 1.00 5.14 H new ATOM 0 HD13 LEU A 78 -2.540 9.650 4.709 1.00 5.14 H new ATOM 0 HD21 LEU A 78 -0.563 10.301 2.415 1.00 5.25 H new ATOM 0 HD22 LEU A 78 -0.557 11.151 3.978 1.00 5.25 H new ATOM 0 HD23 LEU A 78 0.925 10.362 3.388 1.00 5.25 H new ATOM 1214 N GLY A 79 1.499 7.853 7.818 1.00 63.13 N ATOM 1215 CA GLY A 79 1.833 7.639 9.224 1.00 72.25 C ATOM 1216 C GLY A 79 1.002 6.535 9.879 1.00 32.32 C ATOM 1217 O GLY A 79 0.134 5.946 9.232 1.00 22.22 O ATOM 0 H GLY A 79 0.928 7.119 7.400 1.00 63.13 H new ATOM 0 HA2 GLY A 79 2.890 7.386 9.305 1.00 72.25 H new ATOM 0 HA3 GLY A 79 1.685 8.570 9.772 1.00 72.25 H new ATOM 1221 N PRO A 80 1.251 6.225 11.168 1.00 32.21 N ATOM 1222 CA PRO A 80 0.506 5.180 11.899 1.00 10.35 C ATOM 1223 C PRO A 80 -0.911 5.623 12.308 1.00 61.31 C ATOM 1224 O PRO A 80 -1.169 6.812 12.512 1.00 45.00 O ATOM 1225 CB PRO A 80 1.378 4.947 13.139 1.00 43.55 C ATOM 1226 CG PRO A 80 2.045 6.259 13.380 1.00 54.23 C ATOM 1227 CD PRO A 80 2.278 6.865 12.017 1.00 53.12 C ATOM 0 HA PRO A 80 0.345 4.291 11.289 1.00 10.35 H new ATOM 0 HB2 PRO A 80 0.776 4.645 13.996 1.00 43.55 H new ATOM 0 HB3 PRO A 80 2.108 4.156 12.967 1.00 43.55 H new ATOM 0 HG2 PRO A 80 1.420 6.908 13.993 1.00 54.23 H new ATOM 0 HG3 PRO A 80 2.986 6.126 13.914 1.00 54.23 H new ATOM 0 HD2 PRO A 80 2.163 7.949 12.036 1.00 53.12 H new ATOM 0 HD3 PRO A 80 3.284 6.657 11.653 1.00 53.12 H new ATOM 1235 N LEU A 81 -1.825 4.666 12.438 1.00 22.45 N ATOM 1236 CA LEU A 81 -3.208 4.977 12.813 1.00 72.02 C ATOM 1237 C LEU A 81 -3.340 5.179 14.328 1.00 71.52 C ATOM 1238 O LEU A 81 -3.185 4.238 15.107 1.00 41.33 O ATOM 1239 CB LEU A 81 -4.173 3.871 12.350 1.00 44.34 C ATOM 1240 CG LEU A 81 -4.228 3.632 10.830 1.00 44.33 C ATOM 1241 CD1 LEU A 81 -3.011 2.847 10.356 1.00 33.21 C ATOM 1242 CD2 LEU A 81 -5.515 2.915 10.435 1.00 22.24 C ATOM 0 H LEU A 81 -1.639 3.674 12.291 1.00 22.45 H new ATOM 0 HA LEU A 81 -3.476 5.907 12.311 1.00 72.02 H new ATOM 0 HB2 LEU A 81 -3.889 2.938 12.837 1.00 44.34 H new ATOM 0 HB3 LEU A 81 -5.176 4.119 12.698 1.00 44.34 H new ATOM 0 HG LEU A 81 -4.217 4.606 10.340 1.00 44.33 H new ATOM 0 HD11 LEU A 81 -3.075 2.692 9.279 1.00 33.21 H new ATOM 0 HD12 LEU A 81 -2.104 3.405 10.589 1.00 33.21 H new ATOM 0 HD13 LEU A 81 -2.982 1.881 10.860 1.00 33.21 H new ATOM 0 HD21 LEU A 81 -5.528 2.759 9.356 1.00 22.24 H new ATOM 0 HD22 LEU A 81 -5.565 1.951 10.942 1.00 22.24 H new ATOM 0 HD23 LEU A 81 -6.373 3.522 10.724 1.00 22.24 H new