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= 0.695 K(o=0.8,f=-11!) USER MOD Set 1.2: A 64 THR OG1 : rot -144:sc= 0.109 USER MOD Set 2.1: A 9 TYR OH : rot -167:sc= 1.08 USER MOD Set 2.2: A 57 MET CE :methyl -171:sc= -0.442 (180deg=-0.824) USER MOD Single : A 8 GLN : amide:sc= -0.507 X(o=-0.51,f=-0.56) 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=-0.38) USER MOD Single : A 50 CYS SG : rot 180:sc= -0.682 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0602 X(o=-0.06,f=-0.15) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 52:sc= -1.18 USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 6 0.624 -0.546 12.608 1.00 33.30 N ATOM 67 CA GLY A 6 0.059 -0.421 11.270 1.00 44.11 C ATOM 68 C GLY A 6 0.444 0.896 10.606 1.00 54.14 C ATOM 69 O GLY A 6 0.891 1.825 11.277 1.00 42.41 O ATOM 0 HA2 GLY A 6 0.402 -1.251 10.653 1.00 44.11 H new ATOM 0 HA3 GLY A 6 -1.027 -0.494 11.327 1.00 44.11 H new ATOM 73 N PHE A 7 0.282 0.985 9.289 1.00 50.43 N ATOM 74 CA PHE A 7 0.685 2.189 8.551 1.00 21.44 C ATOM 75 C PHE A 7 -0.363 2.609 7.510 1.00 21.33 C ATOM 76 O PHE A 7 -1.175 1.800 7.055 1.00 24.20 O ATOM 77 CB PHE A 7 2.047 1.972 7.875 1.00 74.25 C ATOM 78 CG PHE A 7 3.162 1.711 8.858 1.00 75.44 C ATOM 79 CD1 PHE A 7 3.659 2.737 9.648 1.00 73.24 C ATOM 80 CD2 PHE A 7 3.706 0.442 8.998 1.00 41.12 C ATOM 81 CE1 PHE A 7 4.674 2.503 10.556 1.00 45.44 C ATOM 82 CE2 PHE A 7 4.721 0.204 9.903 1.00 14.42 C ATOM 83 CZ PHE A 7 5.205 1.235 10.684 1.00 60.43 C ATOM 0 H PHE A 7 -0.121 0.248 8.711 1.00 50.43 H new ATOM 0 HA PHE A 7 0.768 2.999 9.276 1.00 21.44 H new ATOM 0 HB2 PHE A 7 1.974 1.130 7.186 1.00 74.25 H new ATOM 0 HB3 PHE A 7 2.294 2.851 7.279 1.00 74.25 H new ATOM 0 HD1 PHE A 7 3.248 3.731 9.552 1.00 73.24 H new ATOM 0 HD2 PHE A 7 3.331 -0.369 8.392 1.00 41.12 H new ATOM 0 HE1 PHE A 7 5.052 3.311 11.165 1.00 45.44 H new ATOM 0 HE2 PHE A 7 5.136 -0.788 10.000 1.00 14.42 H new ATOM 0 HZ PHE A 7 5.998 1.050 11.394 1.00 60.43 H new ATOM 93 N GLN A 8 -0.333 3.889 7.149 1.00 65.23 N ATOM 94 CA GLN A 8 -1.274 4.468 6.188 1.00 42.14 C ATOM 95 C GLN A 8 -0.531 5.085 4.995 1.00 62.35 C ATOM 96 O GLN A 8 0.446 5.823 5.170 1.00 33.42 O ATOM 97 CB GLN A 8 -2.128 5.546 6.874 1.00 43.34 C ATOM 98 CG GLN A 8 -2.949 5.033 8.051 1.00 53.44 C ATOM 99 CD GLN A 8 -3.752 6.129 8.736 1.00 64.11 C ATOM 100 OE1 GLN A 8 -3.354 7.289 8.768 1.00 24.52 O ATOM 101 NE2 GLN A 8 -4.890 5.767 9.292 1.00 44.11 N ATOM 0 H GLN A 8 0.345 4.558 7.514 1.00 65.23 H new ATOM 0 HA GLN A 8 -1.918 3.669 5.821 1.00 42.14 H new ATOM 0 HB2 GLN A 8 -1.474 6.346 7.222 1.00 43.34 H new ATOM 0 HB3 GLN A 8 -2.802 5.983 6.138 1.00 43.34 H new ATOM 0 HG2 GLN A 8 -3.629 4.256 7.702 1.00 53.44 H new ATOM 0 HG3 GLN A 8 -2.282 4.570 8.778 1.00 53.44 H new ATOM 0 HE21 GLN A 8 -5.192 4.794 9.248 1.00 44.11 H new ATOM 0 HE22 GLN A 8 -5.469 6.460 9.767 1.00 44.11 H new ATOM 110 N TYR A 9 -0.996 4.788 3.787 1.00 40.12 N ATOM 111 CA TYR A 9 -0.402 5.342 2.563 1.00 72.42 C ATOM 112 C TYR A 9 -1.454 6.096 1.737 1.00 73.10 C ATOM 113 O TYR A 9 -2.581 5.629 1.589 1.00 20.30 O ATOM 114 CB TYR A 9 0.213 4.222 1.714 1.00 3.54 C ATOM 115 CG TYR A 9 1.359 3.486 2.392 1.00 45.24 C ATOM 116 CD1 TYR A 9 1.127 2.360 3.177 1.00 62.00 C ATOM 117 CD2 TYR A 9 2.674 3.914 2.236 1.00 25.23 C ATOM 118 CE1 TYR A 9 2.170 1.686 3.785 1.00 12.11 C ATOM 119 CE2 TYR A 9 3.721 3.245 2.843 1.00 45.15 C ATOM 120 CZ TYR A 9 3.465 2.132 3.615 1.00 54.21 C ATOM 121 OH TYR A 9 4.504 1.456 4.212 1.00 12.22 O ATOM 0 H TYR A 9 -1.786 4.164 3.622 1.00 40.12 H new ATOM 0 HA TYR A 9 0.380 6.042 2.856 1.00 72.42 H new ATOM 0 HB2 TYR A 9 -0.566 3.503 1.460 1.00 3.54 H new ATOM 0 HB3 TYR A 9 0.572 4.647 0.777 1.00 3.54 H new ATOM 0 HD1 TYR A 9 0.115 2.007 3.313 1.00 62.00 H new ATOM 0 HD2 TYR A 9 2.880 4.784 1.630 1.00 25.23 H new ATOM 0 HE1 TYR A 9 1.972 0.814 4.391 1.00 12.11 H new ATOM 0 HE2 TYR A 9 4.735 3.593 2.713 1.00 45.15 H new ATOM 0 HH TYR A 9 5.316 2.003 4.171 1.00 12.22 H new ATOM 131 N ARG A 10 -1.089 7.257 1.202 1.00 3.15 N ATOM 132 CA ARG A 10 -2.012 8.033 0.362 1.00 34.21 C ATOM 133 C ARG A 10 -1.722 7.788 -1.130 1.00 13.31 C ATOM 134 O ARG A 10 -0.602 8.006 -1.601 1.00 53.23 O ATOM 135 CB ARG A 10 -1.900 9.530 0.682 1.00 4.34 C ATOM 136 CG ARG A 10 -3.104 10.357 0.241 1.00 3.24 C ATOM 137 CD ARG A 10 -2.819 11.859 0.280 1.00 13.30 C ATOM 138 NE ARG A 10 -2.201 12.300 1.538 1.00 51.34 N ATOM 139 CZ ARG A 10 -2.720 13.189 2.351 1.00 65.01 C ATOM 140 NH1 ARG A 10 -3.883 13.707 2.117 1.00 74.12 N ATOM 141 NH2 ARG A 10 -2.066 13.561 3.402 1.00 42.01 N ATOM 0 H ARG A 10 -0.171 7.683 1.330 1.00 3.15 H new ATOM 0 HA ARG A 10 -3.028 7.704 0.578 1.00 34.21 H new ATOM 0 HB2 ARG A 10 -1.765 9.651 1.757 1.00 4.34 H new ATOM 0 HB3 ARG A 10 -1.006 9.927 0.202 1.00 4.34 H new ATOM 0 HG2 ARG A 10 -3.389 10.069 -0.771 1.00 3.24 H new ATOM 0 HG3 ARG A 10 -3.953 10.133 0.887 1.00 3.24 H new ATOM 0 HD2 ARG A 10 -2.162 12.119 -0.550 1.00 13.30 H new ATOM 0 HD3 ARG A 10 -3.752 12.403 0.131 1.00 13.30 H new ATOM 0 HE ARG A 10 -1.306 11.886 1.797 1.00 51.34 H new ATOM 0 HH11 ARG A 10 -4.410 13.425 1.290 1.00 74.12 H new ATOM 0 HH12 ARG A 10 -4.272 14.397 2.759 1.00 74.12 H new ATOM 0 HH21 ARG A 10 -1.147 13.163 3.598 1.00 42.01 H new ATOM 0 HH22 ARG A 10 -2.468 14.252 4.035 1.00 42.01 H new ATOM 155 N ALA A 11 -2.733 7.326 -1.862 1.00 21.32 N ATOM 156 CA ALA A 11 -2.590 7.012 -3.287 1.00 22.22 C ATOM 157 C ALA A 11 -2.438 8.281 -4.143 1.00 71.12 C ATOM 158 O ALA A 11 -3.316 9.143 -4.143 1.00 75.34 O ATOM 159 CB ALA A 11 -3.796 6.203 -3.757 1.00 63.35 C ATOM 0 H ALA A 11 -3.668 7.159 -1.491 1.00 21.32 H new ATOM 0 HA ALA A 11 -1.680 6.425 -3.411 1.00 22.22 H new ATOM 0 HB1 ALA A 11 -3.688 5.971 -4.816 1.00 63.35 H new ATOM 0 HB2 ALA A 11 -3.857 5.276 -3.187 1.00 63.35 H new ATOM 0 HB3 ALA A 11 -4.706 6.784 -3.604 1.00 63.35 H new ATOM 165 N LEU A 12 -1.324 8.397 -4.865 1.00 44.10 N ATOM 166 CA LEU A 12 -1.100 9.541 -5.762 1.00 64.41 C ATOM 167 C LEU A 12 -1.617 9.255 -7.179 1.00 55.14 C ATOM 168 O LEU A 12 -2.301 10.085 -7.781 1.00 2.44 O ATOM 169 CB LEU A 12 0.394 9.895 -5.808 1.00 31.24 C ATOM 170 CG LEU A 12 1.033 10.198 -4.444 1.00 23.12 C ATOM 171 CD1 LEU A 12 2.504 10.564 -4.600 1.00 45.41 C ATOM 172 CD2 LEU A 12 0.272 11.307 -3.725 1.00 24.24 C ATOM 0 H LEU A 12 -0.563 7.718 -4.850 1.00 44.10 H new ATOM 0 HA LEU A 12 -1.659 10.389 -5.366 1.00 64.41 H new ATOM 0 HB2 LEU A 12 0.934 9.068 -6.269 1.00 31.24 H new ATOM 0 HB3 LEU A 12 0.527 10.762 -6.455 1.00 31.24 H new ATOM 0 HG LEU A 12 0.974 9.295 -3.836 1.00 23.12 H new ATOM 0 HD11 LEU A 12 2.933 10.774 -3.620 1.00 45.41 H new ATOM 0 HD12 LEU A 12 3.039 9.733 -5.060 1.00 45.41 H new ATOM 0 HD13 LEU A 12 2.594 11.447 -5.232 1.00 45.41 H new ATOM 0 HD21 LEU A 12 0.742 11.505 -2.762 1.00 24.24 H new ATOM 0 HD22 LEU A 12 0.291 12.213 -4.331 1.00 24.24 H new ATOM 0 HD23 LEU A 12 -0.761 10.997 -3.568 1.00 24.24 H new ATOM 184 N TYR A 13 -1.282 8.080 -7.707 1.00 33.52 N ATOM 185 CA TYR A 13 -1.687 7.688 -9.066 1.00 62.44 C ATOM 186 C TYR A 13 -2.737 6.562 -9.052 1.00 62.11 C ATOM 187 O TYR A 13 -2.627 5.608 -8.281 1.00 11.41 O ATOM 188 CB TYR A 13 -0.457 7.251 -9.877 1.00 14.13 C ATOM 189 CG TYR A 13 0.413 8.408 -10.333 1.00 24.35 C ATOM 190 CD1 TYR A 13 1.352 8.986 -9.485 1.00 42.11 C ATOM 191 CD2 TYR A 13 0.286 8.927 -11.617 1.00 44.31 C ATOM 192 CE1 TYR A 13 2.135 10.046 -9.905 1.00 30.04 C ATOM 193 CE2 TYR A 13 1.063 9.985 -12.042 1.00 2.42 C ATOM 194 CZ TYR A 13 1.987 10.540 -11.184 1.00 34.22 C ATOM 195 OH TYR A 13 2.764 11.598 -11.606 1.00 22.21 O ATOM 0 H TYR A 13 -0.729 7.377 -7.217 1.00 33.52 H new ATOM 0 HA TYR A 13 -2.144 8.558 -9.537 1.00 62.44 H new ATOM 0 HB2 TYR A 13 0.144 6.572 -9.272 1.00 14.13 H new ATOM 0 HB3 TYR A 13 -0.789 6.691 -10.751 1.00 14.13 H new ATOM 0 HD1 TYR A 13 1.472 8.601 -8.483 1.00 42.11 H new ATOM 0 HD2 TYR A 13 -0.435 8.494 -12.295 1.00 44.31 H new ATOM 0 HE1 TYR A 13 2.859 10.485 -9.234 1.00 30.04 H new ATOM 0 HE2 TYR A 13 0.947 10.376 -13.042 1.00 2.42 H new ATOM 0 HH TYR A 13 2.536 11.823 -12.532 1.00 22.21 H new ATOM 205 N PRO A 14 -3.769 6.658 -9.918 1.00 51.41 N ATOM 206 CA PRO A 14 -4.835 5.646 -9.996 1.00 15.40 C ATOM 207 C PRO A 14 -4.426 4.386 -10.779 1.00 5.04 C ATOM 208 O PRO A 14 -3.666 4.456 -11.750 1.00 15.32 O ATOM 209 CB PRO A 14 -5.958 6.388 -10.728 1.00 5.22 C ATOM 210 CG PRO A 14 -5.254 7.375 -11.605 1.00 24.12 C ATOM 211 CD PRO A 14 -3.982 7.761 -10.882 1.00 21.21 C ATOM 0 HA PRO A 14 -5.107 5.273 -9.009 1.00 15.40 H new ATOM 0 HB2 PRO A 14 -6.569 5.702 -11.315 1.00 5.22 H new ATOM 0 HB3 PRO A 14 -6.625 6.888 -10.026 1.00 5.22 H new ATOM 0 HG2 PRO A 14 -5.030 6.938 -12.578 1.00 24.12 H new ATOM 0 HG3 PRO A 14 -5.879 8.250 -11.784 1.00 24.12 H new ATOM 0 HD2 PRO A 14 -3.144 7.855 -11.572 1.00 21.21 H new ATOM 0 HD3 PRO A 14 -4.087 8.720 -10.375 1.00 21.21 H new ATOM 219 N PHE A 15 -4.944 3.236 -10.354 1.00 13.20 N ATOM 220 CA PHE A 15 -4.683 1.958 -11.029 1.00 23.21 C ATOM 221 C PHE A 15 -5.933 1.067 -11.013 1.00 5.21 C ATOM 222 O PHE A 15 -6.552 0.869 -9.972 1.00 15.11 O ATOM 223 CB PHE A 15 -3.511 1.215 -10.363 1.00 31.44 C ATOM 224 CG PHE A 15 -2.179 1.915 -10.492 1.00 70.11 C ATOM 225 CD1 PHE A 15 -1.460 1.853 -11.677 1.00 23.40 C ATOM 226 CD2 PHE A 15 -1.645 2.633 -9.430 1.00 54.30 C ATOM 227 CE1 PHE A 15 -0.239 2.488 -11.800 1.00 63.34 C ATOM 228 CE2 PHE A 15 -0.425 3.269 -9.550 1.00 13.44 C ATOM 229 CZ PHE A 15 0.278 3.197 -10.735 1.00 71.21 C ATOM 0 H PHE A 15 -5.552 3.159 -9.539 1.00 13.20 H new ATOM 0 HA PHE A 15 -4.419 2.179 -12.063 1.00 23.21 H new ATOM 0 HB2 PHE A 15 -3.736 1.079 -9.305 1.00 31.44 H new ATOM 0 HB3 PHE A 15 -3.430 0.221 -10.802 1.00 31.44 H new ATOM 0 HD1 PHE A 15 -1.860 1.301 -12.515 1.00 23.40 H new ATOM 0 HD2 PHE A 15 -2.190 2.695 -8.500 1.00 54.30 H new ATOM 0 HE1 PHE A 15 0.310 2.430 -12.728 1.00 63.34 H new ATOM 0 HE2 PHE A 15 -0.021 3.823 -8.716 1.00 13.44 H new ATOM 0 HZ PHE A 15 1.232 3.695 -10.829 1.00 71.21 H new ATOM 367 N LEU A 23 -4.550 -3.737 -7.318 1.00 53.31 N ATOM 368 CA LEU A 23 -5.556 -3.081 -6.469 1.00 70.11 C ATOM 369 C LEU A 23 -6.248 -1.906 -7.185 1.00 55.01 C ATOM 370 O LEU A 23 -5.599 -1.103 -7.849 1.00 55.43 O ATOM 371 CB LEU A 23 -4.893 -2.601 -5.167 1.00 3.23 C ATOM 372 CG LEU A 23 -5.841 -1.985 -4.126 1.00 41.24 C ATOM 373 CD1 LEU A 23 -6.959 -2.957 -3.775 1.00 34.20 C ATOM 374 CD2 LEU A 23 -5.069 -1.577 -2.873 1.00 74.11 C ATOM 0 HA LEU A 23 -6.331 -3.813 -6.241 1.00 70.11 H new ATOM 0 HB2 LEU A 23 -4.380 -3.446 -4.709 1.00 3.23 H new ATOM 0 HB3 LEU A 23 -4.131 -1.864 -5.419 1.00 3.23 H new ATOM 0 HG LEU A 23 -6.290 -1.091 -4.559 1.00 41.24 H new ATOM 0 HD11 LEU A 23 -7.619 -2.501 -3.037 1.00 34.20 H new ATOM 0 HD12 LEU A 23 -7.529 -3.195 -4.673 1.00 34.20 H new ATOM 0 HD13 LEU A 23 -6.531 -3.871 -3.364 1.00 34.20 H new ATOM 0 HD21 LEU A 23 -5.757 -1.143 -2.147 1.00 74.11 H new ATOM 0 HD22 LEU A 23 -4.590 -2.455 -2.439 1.00 74.11 H new ATOM 0 HD23 LEU A 23 -4.309 -0.842 -3.137 1.00 74.11 H new ATOM 386 N GLU A 24 -7.577 -1.821 -7.049 1.00 72.13 N ATOM 387 CA GLU A 24 -8.349 -0.701 -7.611 1.00 10.10 C ATOM 388 C GLU A 24 -8.084 0.592 -6.820 1.00 71.04 C ATOM 389 O GLU A 24 -8.396 0.675 -5.628 1.00 45.11 O ATOM 390 CB GLU A 24 -9.853 -1.023 -7.607 1.00 1.41 C ATOM 391 CG GLU A 24 -10.217 -2.294 -8.372 1.00 44.55 C ATOM 392 CD GLU A 24 -11.720 -2.460 -8.563 1.00 43.23 C ATOM 393 OE1 GLU A 24 -12.267 -1.870 -9.520 1.00 15.24 O ATOM 394 OE2 GLU A 24 -12.360 -3.170 -7.759 1.00 62.13 O ATOM 0 H GLU A 24 -8.142 -2.513 -6.556 1.00 72.13 H new ATOM 0 HA GLU A 24 -8.027 -0.552 -8.641 1.00 10.10 H new ATOM 0 HB2 GLU A 24 -10.190 -1.123 -6.575 1.00 1.41 H new ATOM 0 HB3 GLU A 24 -10.395 -0.182 -8.040 1.00 1.41 H new ATOM 0 HG2 GLU A 24 -9.731 -2.277 -9.348 1.00 44.55 H new ATOM 0 HG3 GLU A 24 -9.826 -3.159 -7.837 1.00 44.55 H new ATOM 401 N LEU A 25 -7.524 1.600 -7.496 1.00 31.02 N ATOM 402 CA LEU A 25 -6.992 2.799 -6.826 1.00 42.42 C ATOM 403 C LEU A 25 -7.390 4.106 -7.535 1.00 4.40 C ATOM 404 O LEU A 25 -7.331 4.203 -8.764 1.00 3.32 O ATOM 405 CB LEU A 25 -5.464 2.692 -6.778 1.00 34.43 C ATOM 406 CG LEU A 25 -4.934 1.460 -6.031 1.00 44.50 C ATOM 407 CD1 LEU A 25 -3.523 1.111 -6.487 1.00 42.50 C ATOM 408 CD2 LEU A 25 -4.988 1.681 -4.520 1.00 11.44 C ATOM 0 H LEU A 25 -7.425 1.613 -8.511 1.00 31.02 H new ATOM 0 HA LEU A 25 -7.420 2.838 -5.824 1.00 42.42 H new ATOM 0 HB2 LEU A 25 -5.082 2.674 -7.799 1.00 34.43 H new ATOM 0 HB3 LEU A 25 -5.065 3.588 -6.303 1.00 34.43 H new ATOM 0 HG LEU A 25 -5.577 0.613 -6.270 1.00 44.50 H new ATOM 0 HD11 LEU A 25 -3.171 0.235 -5.943 1.00 42.50 H new ATOM 0 HD12 LEU A 25 -3.529 0.896 -7.556 1.00 42.50 H new ATOM 0 HD13 LEU A 25 -2.858 1.952 -6.290 1.00 42.50 H new ATOM 0 HD21 LEU A 25 -4.608 0.796 -4.009 1.00 11.44 H new ATOM 0 HD22 LEU A 25 -4.376 2.543 -4.256 1.00 11.44 H new ATOM 0 HD23 LEU A 25 -6.019 1.861 -4.215 1.00 11.44 H new ATOM 420 N LEU A 26 -7.789 5.101 -6.743 1.00 1.32 N ATOM 421 CA LEU A 26 -8.109 6.452 -7.237 1.00 73.51 C ATOM 422 C LEU A 26 -7.115 7.491 -6.667 1.00 33.41 C ATOM 423 O LEU A 26 -6.478 7.253 -5.637 1.00 31.03 O ATOM 424 CB LEU A 26 -9.550 6.852 -6.848 1.00 42.23 C ATOM 425 CG LEU A 26 -10.695 6.212 -7.655 1.00 41.13 C ATOM 426 CD1 LEU A 26 -10.608 6.607 -9.127 1.00 3.25 C ATOM 427 CD2 LEU A 26 -10.701 4.694 -7.503 1.00 14.13 C ATOM 0 H LEU A 26 -7.902 4.998 -5.734 1.00 1.32 H new ATOM 0 HA LEU A 26 -8.026 6.436 -8.324 1.00 73.51 H new ATOM 0 HB2 LEU A 26 -9.698 6.606 -5.797 1.00 42.23 H new ATOM 0 HB3 LEU A 26 -9.637 7.935 -6.937 1.00 42.23 H new ATOM 0 HG LEU A 26 -11.635 6.590 -7.253 1.00 41.13 H new ATOM 0 HD11 LEU A 26 -11.427 6.143 -9.677 1.00 3.25 H new ATOM 0 HD12 LEU A 26 -10.678 7.691 -9.218 1.00 3.25 H new ATOM 0 HD13 LEU A 26 -9.657 6.269 -9.539 1.00 3.25 H new ATOM 0 HD21 LEU A 26 -11.521 4.273 -8.085 1.00 14.13 H new ATOM 0 HD22 LEU A 26 -9.755 4.289 -7.863 1.00 14.13 H new ATOM 0 HD23 LEU A 26 -10.831 4.434 -6.452 1.00 14.13 H new ATOM 439 N PRO A 27 -6.943 8.653 -7.335 1.00 63.52 N ATOM 440 CA PRO A 27 -6.068 9.730 -6.829 1.00 30.34 C ATOM 441 C PRO A 27 -6.579 10.338 -5.509 1.00 12.41 C ATOM 442 O PRO A 27 -7.598 11.034 -5.483 1.00 4.54 O ATOM 443 CB PRO A 27 -6.086 10.782 -7.958 1.00 12.30 C ATOM 444 CG PRO A 27 -6.629 10.067 -9.154 1.00 11.33 C ATOM 445 CD PRO A 27 -7.566 9.019 -8.616 1.00 1.35 C ATOM 0 HA PRO A 27 -5.069 9.360 -6.597 1.00 30.34 H new ATOM 0 HB2 PRO A 27 -6.711 11.634 -7.692 1.00 12.30 H new ATOM 0 HB3 PRO A 27 -5.085 11.169 -8.151 1.00 12.30 H new ATOM 0 HG2 PRO A 27 -7.152 10.756 -9.817 1.00 11.33 H new ATOM 0 HG3 PRO A 27 -5.827 9.613 -9.735 1.00 11.33 H new ATOM 0 HD2 PRO A 27 -8.574 9.410 -8.479 1.00 1.35 H new ATOM 0 HD3 PRO A 27 -7.644 8.164 -9.287 1.00 1.35 H new ATOM 453 N GLY A 28 -5.877 10.057 -4.411 1.00 31.21 N ATOM 454 CA GLY A 28 -6.241 10.616 -3.107 1.00 23.22 C ATOM 455 C GLY A 28 -6.842 9.594 -2.137 1.00 34.24 C ATOM 456 O GLY A 28 -7.447 9.971 -1.130 1.00 73.41 O ATOM 0 H GLY A 28 -5.058 9.449 -4.397 1.00 31.21 H new ATOM 0 HA2 GLY A 28 -5.354 11.056 -2.651 1.00 23.22 H new ATOM 0 HA3 GLY A 28 -6.957 11.424 -3.257 1.00 23.22 H new ATOM 460 N ASP A 29 -6.683 8.309 -2.434 1.00 41.02 N ATOM 461 CA ASP A 29 -7.219 7.243 -1.576 1.00 54.31 C ATOM 462 C ASP A 29 -6.329 6.985 -0.351 1.00 54.32 C ATOM 463 O ASP A 29 -5.118 7.207 -0.386 1.00 70.24 O ATOM 464 CB ASP A 29 -7.371 5.945 -2.381 1.00 33.41 C ATOM 465 CG ASP A 29 -8.399 6.060 -3.492 1.00 51.40 C ATOM 466 OD1 ASP A 29 -8.765 7.196 -3.853 1.00 61.24 O ATOM 467 OD2 ASP A 29 -8.842 5.014 -4.013 1.00 51.32 O ATOM 0 H ASP A 29 -6.188 7.974 -3.261 1.00 41.02 H new ATOM 0 HA ASP A 29 -8.193 7.575 -1.218 1.00 54.31 H new ATOM 0 HB2 ASP A 29 -6.407 5.674 -2.811 1.00 33.41 H new ATOM 0 HB3 ASP A 29 -7.658 5.137 -1.708 1.00 33.41 H new ATOM 472 N VAL A 30 -6.946 6.526 0.736 1.00 24.24 N ATOM 473 CA VAL A 30 -6.211 6.125 1.940 1.00 24.23 C ATOM 474 C VAL A 30 -6.109 4.595 2.023 1.00 14.41 C ATOM 475 O VAL A 30 -7.124 3.894 2.050 1.00 32.24 O ATOM 476 CB VAL A 30 -6.888 6.661 3.230 1.00 25.42 C ATOM 477 CG1 VAL A 30 -6.101 6.250 4.478 1.00 24.02 C ATOM 478 CG2 VAL A 30 -7.051 8.180 3.165 1.00 53.31 C ATOM 0 H VAL A 30 -7.958 6.421 0.810 1.00 24.24 H new ATOM 0 HA VAL A 30 -5.213 6.558 1.867 1.00 24.23 H new ATOM 0 HB VAL A 30 -7.880 6.214 3.299 1.00 25.42 H new ATOM 0 HG11 VAL A 30 -6.598 6.639 5.366 1.00 24.02 H new ATOM 0 HG12 VAL A 30 -6.053 5.163 4.536 1.00 24.02 H new ATOM 0 HG13 VAL A 30 -5.091 6.655 4.421 1.00 24.02 H new ATOM 0 HG21 VAL A 30 -7.527 8.534 4.079 1.00 53.31 H new ATOM 0 HG22 VAL A 30 -6.071 8.647 3.062 1.00 53.31 H new ATOM 0 HG23 VAL A 30 -7.670 8.443 2.308 1.00 53.31 H new ATOM 488 N LEU A 31 -4.882 4.082 2.040 1.00 21.42 N ATOM 489 CA LEU A 31 -4.642 2.639 2.118 1.00 52.14 C ATOM 490 C LEU A 31 -4.211 2.218 3.531 1.00 42.44 C ATOM 491 O LEU A 31 -3.231 2.735 4.073 1.00 1.33 O ATOM 492 CB LEU A 31 -3.569 2.203 1.103 1.00 61.02 C ATOM 493 CG LEU A 31 -3.954 2.323 -0.387 1.00 31.53 C ATOM 494 CD1 LEU A 31 -4.027 3.781 -0.832 1.00 12.23 C ATOM 495 CD2 LEU A 31 -2.972 1.546 -1.258 1.00 5.52 C ATOM 0 H LEU A 31 -4.033 4.645 2.001 1.00 21.42 H new ATOM 0 HA LEU A 31 -5.583 2.144 1.878 1.00 52.14 H new ATOM 0 HB2 LEU A 31 -2.672 2.799 1.275 1.00 61.02 H new ATOM 0 HB3 LEU A 31 -3.306 1.165 1.307 1.00 61.02 H new ATOM 0 HG LEU A 31 -4.947 1.890 -0.508 1.00 31.53 H new ATOM 0 HD11 LEU A 31 -4.301 3.826 -1.886 1.00 12.23 H new ATOM 0 HD12 LEU A 31 -4.777 4.305 -0.240 1.00 12.23 H new ATOM 0 HD13 LEU A 31 -3.056 4.254 -0.689 1.00 12.23 H new ATOM 0 HD21 LEU A 31 -3.259 1.642 -2.305 1.00 5.52 H new ATOM 0 HD22 LEU A 31 -1.967 1.946 -1.119 1.00 5.52 H new ATOM 0 HD23 LEU A 31 -2.986 0.494 -0.973 1.00 5.52 H new ATOM 507 N VAL A 32 -4.950 1.276 4.114 1.00 10.14 N ATOM 508 CA VAL A 32 -4.628 0.731 5.436 1.00 44.13 C ATOM 509 C VAL A 32 -3.781 -0.548 5.313 1.00 41.20 C ATOM 510 O VAL A 32 -4.229 -1.554 4.755 1.00 4.22 O ATOM 511 CB VAL A 32 -5.917 0.421 6.243 1.00 44.01 C ATOM 512 CG1 VAL A 32 -5.574 -0.168 7.614 1.00 62.14 C ATOM 513 CG2 VAL A 32 -6.777 1.677 6.384 1.00 34.25 C ATOM 0 H VAL A 32 -5.784 0.870 3.689 1.00 10.14 H new ATOM 0 HA VAL A 32 -4.053 1.489 5.967 1.00 44.13 H new ATOM 0 HB VAL A 32 -6.493 -0.325 5.695 1.00 44.01 H new ATOM 0 HG11 VAL A 32 -6.494 -0.377 8.161 1.00 62.14 H new ATOM 0 HG12 VAL A 32 -5.012 -1.093 7.482 1.00 62.14 H new ATOM 0 HG13 VAL A 32 -4.972 0.546 8.176 1.00 62.14 H new ATOM 0 HG21 VAL A 32 -7.676 1.440 6.953 1.00 34.25 H new ATOM 0 HG22 VAL A 32 -6.211 2.449 6.905 1.00 34.25 H new ATOM 0 HG23 VAL A 32 -7.058 2.039 5.395 1.00 34.25 H new ATOM 523 N VAL A 33 -2.552 -0.500 5.827 1.00 71.14 N ATOM 524 CA VAL A 33 -1.637 -1.651 5.787 1.00 63.14 C ATOM 525 C VAL A 33 -1.264 -2.116 7.206 1.00 2.52 C ATOM 526 O VAL A 33 -0.975 -1.300 8.084 1.00 54.31 O ATOM 527 CB VAL A 33 -0.339 -1.308 5.007 1.00 55.41 C ATOM 528 CG1 VAL A 33 0.605 -2.511 4.946 1.00 61.24 C ATOM 529 CG2 VAL A 33 -0.671 -0.810 3.601 1.00 55.43 C ATOM 0 H VAL A 33 -2.161 0.327 6.279 1.00 71.14 H new ATOM 0 HA VAL A 33 -2.161 -2.457 5.274 1.00 63.14 H new ATOM 0 HB VAL A 33 0.173 -0.509 5.544 1.00 55.41 H new ATOM 0 HG11 VAL A 33 1.505 -2.240 4.394 1.00 61.24 H new ATOM 0 HG12 VAL A 33 0.877 -2.812 5.958 1.00 61.24 H new ATOM 0 HG13 VAL A 33 0.106 -3.340 4.443 1.00 61.24 H new ATOM 0 HG21 VAL A 33 0.252 -0.575 3.071 1.00 55.43 H new ATOM 0 HG22 VAL A 33 -1.213 -1.585 3.059 1.00 55.43 H new ATOM 0 HG23 VAL A 33 -1.289 0.086 3.669 1.00 55.43 H new ATOM 539 N SER A 34 -1.276 -3.427 7.430 1.00 42.35 N ATOM 540 CA SER A 34 -0.903 -3.990 8.737 1.00 20.43 C ATOM 541 C SER A 34 0.614 -4.210 8.821 1.00 75.34 C ATOM 542 O SER A 34 1.222 -4.757 7.900 1.00 51.11 O ATOM 543 CB SER A 34 -1.629 -5.323 8.988 1.00 21.22 C ATOM 544 OG SER A 34 -1.168 -6.342 8.113 1.00 23.30 O ATOM 0 H SER A 34 -1.538 -4.122 6.731 1.00 42.35 H new ATOM 0 HA SER A 34 -1.203 -3.274 9.502 1.00 20.43 H new ATOM 0 HB2 SER A 34 -1.475 -5.633 10.022 1.00 21.22 H new ATOM 0 HB3 SER A 34 -2.702 -5.185 8.853 1.00 21.22 H new ATOM 0 HG SER A 34 -1.648 -7.176 8.300 1.00 23.30 H new ATOM 550 N ARG A 35 1.230 -3.797 9.931 1.00 51.35 N ATOM 551 CA ARG A 35 2.684 -3.947 10.087 1.00 50.43 C ATOM 552 C ARG A 35 3.083 -5.430 10.149 1.00 24.44 C ATOM 553 O ARG A 35 4.208 -5.794 9.810 1.00 31.34 O ATOM 554 CB ARG A 35 3.192 -3.211 11.339 1.00 63.53 C ATOM 555 CG ARG A 35 4.717 -3.111 11.396 1.00 4.34 C ATOM 556 CD ARG A 35 5.215 -2.341 12.618 1.00 21.05 C ATOM 557 NE ARG A 35 6.632 -2.008 12.494 1.00 71.03 N ATOM 558 CZ ARG A 35 7.437 -1.771 13.493 1.00 24.14 C ATOM 559 NH1 ARG A 35 7.024 -1.845 14.720 1.00 34.44 N ATOM 560 NH2 ARG A 35 8.665 -1.458 13.252 1.00 35.11 N ATOM 0 H ARG A 35 0.757 -3.363 10.724 1.00 51.35 H new ATOM 0 HA ARG A 35 3.152 -3.497 9.211 1.00 50.43 H new ATOM 0 HB2 ARG A 35 2.767 -2.208 11.362 1.00 63.53 H new ATOM 0 HB3 ARG A 35 2.834 -3.729 12.229 1.00 63.53 H new ATOM 0 HG2 ARG A 35 5.142 -4.115 11.407 1.00 4.34 H new ATOM 0 HG3 ARG A 35 5.078 -2.621 10.492 1.00 4.34 H new ATOM 0 HD2 ARG A 35 4.633 -1.427 12.736 1.00 21.05 H new ATOM 0 HD3 ARG A 35 5.057 -2.938 13.516 1.00 21.05 H new ATOM 0 HE ARG A 35 7.022 -1.957 11.553 1.00 71.03 H new ATOM 0 HH11 ARG A 35 6.054 -2.092 14.918 1.00 34.44 H new ATOM 0 HH12 ARG A 35 7.669 -1.656 15.487 1.00 34.44 H new ATOM 0 HH21 ARG A 35 8.997 -1.398 12.289 1.00 35.11 H new ATOM 0 HH22 ARG A 35 9.304 -1.270 14.024 1.00 35.11 H new ATOM 574 N ALA A 36 2.148 -6.277 10.576 1.00 31.42 N ATOM 575 CA ALA A 36 2.371 -7.727 10.605 1.00 51.35 C ATOM 576 C ALA A 36 2.689 -8.268 9.203 1.00 30.10 C ATOM 577 O ALA A 36 3.565 -9.119 9.034 1.00 71.12 O ATOM 578 CB ALA A 36 1.154 -8.433 11.190 1.00 55.33 C ATOM 0 H ALA A 36 1.228 -5.987 10.907 1.00 31.42 H new ATOM 0 HA ALA A 36 3.233 -7.927 11.241 1.00 51.35 H new ATOM 0 HB1 ALA A 36 1.330 -9.508 11.207 1.00 55.33 H new ATOM 0 HB2 ALA A 36 0.981 -8.078 12.206 1.00 55.33 H new ATOM 0 HB3 ALA A 36 0.279 -8.218 10.576 1.00 55.33 H new ATOM 584 N ALA A 37 1.975 -7.760 8.197 1.00 25.31 N ATOM 585 CA ALA A 37 2.233 -8.131 6.805 1.00 74.21 C ATOM 586 C ALA A 37 3.644 -7.706 6.374 1.00 54.31 C ATOM 587 O ALA A 37 4.389 -8.488 5.787 1.00 33.11 O ATOM 588 CB ALA A 37 1.188 -7.502 5.890 1.00 11.25 C ATOM 0 H ALA A 37 1.215 -7.091 8.320 1.00 25.31 H new ATOM 0 HA ALA A 37 2.167 -9.216 6.724 1.00 74.21 H new ATOM 0 HB1 ALA A 37 1.391 -7.785 4.857 1.00 11.25 H new ATOM 0 HB2 ALA A 37 0.196 -7.853 6.175 1.00 11.25 H new ATOM 0 HB3 ALA A 37 1.229 -6.417 5.983 1.00 11.25 H new ATOM 594 N LEU A 38 4.005 -6.460 6.685 1.00 22.15 N ATOM 595 CA LEU A 38 5.335 -5.929 6.364 1.00 1.13 C ATOM 596 C LEU A 38 6.443 -6.772 7.013 1.00 54.54 C ATOM 597 O LEU A 38 7.448 -7.095 6.377 1.00 23.21 O ATOM 598 CB LEU A 38 5.442 -4.469 6.823 1.00 53.53 C ATOM 599 CG LEU A 38 4.380 -3.523 6.236 1.00 75.31 C ATOM 600 CD1 LEU A 38 4.603 -2.090 6.711 1.00 63.05 C ATOM 601 CD2 LEU A 38 4.369 -3.592 4.709 1.00 61.23 C ATOM 0 H LEU A 38 3.394 -5.796 7.161 1.00 22.15 H new ATOM 0 HA LEU A 38 5.467 -5.976 5.283 1.00 1.13 H new ATOM 0 HB2 LEU A 38 5.372 -4.440 7.910 1.00 53.53 H new ATOM 0 HB3 LEU A 38 6.430 -4.092 6.557 1.00 53.53 H new ATOM 0 HG LEU A 38 3.405 -3.851 6.596 1.00 75.31 H new ATOM 0 HD11 LEU A 38 3.839 -1.441 6.282 1.00 63.05 H new ATOM 0 HD12 LEU A 38 4.541 -2.053 7.799 1.00 63.05 H new ATOM 0 HD13 LEU A 38 5.588 -1.750 6.392 1.00 63.05 H new ATOM 0 HD21 LEU A 38 3.610 -2.914 4.320 1.00 61.23 H new ATOM 0 HD22 LEU A 38 5.347 -3.301 4.325 1.00 61.23 H new ATOM 0 HD23 LEU A 38 4.143 -4.610 4.392 1.00 61.23 H new ATOM 613 N GLN A 39 6.248 -7.136 8.280 1.00 14.53 N ATOM 614 CA GLN A 39 7.190 -8.011 8.988 1.00 24.54 C ATOM 615 C GLN A 39 7.275 -9.392 8.317 1.00 2.32 C ATOM 616 O GLN A 39 8.351 -9.980 8.218 1.00 73.21 O ATOM 617 CB GLN A 39 6.788 -8.151 10.465 1.00 63.01 C ATOM 618 CG GLN A 39 6.938 -6.857 11.256 1.00 54.43 C ATOM 619 CD GLN A 39 6.581 -7.006 12.726 1.00 54.14 C ATOM 620 OE1 GLN A 39 5.723 -7.800 13.100 1.00 71.34 O ATOM 621 NE2 GLN A 39 7.244 -6.245 13.574 1.00 33.33 N ATOM 0 H GLN A 39 5.448 -6.840 8.839 1.00 14.53 H new ATOM 0 HA GLN A 39 8.178 -7.553 8.939 1.00 24.54 H new ATOM 0 HB2 GLN A 39 5.752 -8.486 10.522 1.00 63.01 H new ATOM 0 HB3 GLN A 39 7.399 -8.925 10.929 1.00 63.01 H new ATOM 0 HG2 GLN A 39 7.966 -6.506 11.173 1.00 54.43 H new ATOM 0 HG3 GLN A 39 6.303 -6.091 10.811 1.00 54.43 H new ATOM 0 HE21 GLN A 39 7.951 -5.595 13.231 1.00 33.33 H new ATOM 0 HE22 GLN A 39 7.050 -6.306 14.573 1.00 33.33 H new ATOM 630 N ALA A 40 6.133 -9.896 7.845 1.00 73.23 N ATOM 631 CA ALA A 40 6.090 -11.158 7.091 1.00 14.24 C ATOM 632 C ALA A 40 6.826 -11.032 5.746 1.00 32.34 C ATOM 633 O ALA A 40 7.347 -12.015 5.212 1.00 10.13 O ATOM 634 CB ALA A 40 4.642 -11.592 6.871 1.00 63.51 C ATOM 0 H ALA A 40 5.223 -9.452 7.970 1.00 73.23 H new ATOM 0 HA ALA A 40 6.602 -11.920 7.679 1.00 14.24 H new ATOM 0 HB1 ALA A 40 4.623 -12.527 6.312 1.00 63.51 H new ATOM 0 HB2 ALA A 40 4.155 -11.736 7.835 1.00 63.51 H new ATOM 0 HB3 ALA A 40 4.113 -10.823 6.309 1.00 63.51 H new ATOM 640 N LEU A 41 6.867 -9.812 5.204 1.00 33.40 N ATOM 641 CA LEU A 41 7.600 -9.528 3.962 1.00 73.35 C ATOM 642 C LEU A 41 9.107 -9.324 4.224 1.00 11.54 C ATOM 643 O LEU A 41 9.892 -9.151 3.289 1.00 3.45 O ATOM 644 CB LEU A 41 7.021 -8.277 3.278 1.00 23.34 C ATOM 645 CG LEU A 41 5.544 -8.368 2.856 1.00 24.43 C ATOM 646 CD1 LEU A 41 5.060 -7.037 2.291 1.00 71.14 C ATOM 647 CD2 LEU A 41 5.341 -9.488 1.841 1.00 23.31 C ATOM 0 H LEU A 41 6.399 -9.000 5.606 1.00 33.40 H new ATOM 0 HA LEU A 41 7.483 -10.391 3.307 1.00 73.35 H new ATOM 0 HB2 LEU A 41 7.134 -7.430 3.955 1.00 23.34 H new ATOM 0 HB3 LEU A 41 7.619 -8.060 2.393 1.00 23.34 H new ATOM 0 HG LEU A 41 4.952 -8.598 3.742 1.00 24.43 H new ATOM 0 HD11 LEU A 41 4.013 -7.125 1.999 1.00 71.14 H new ATOM 0 HD12 LEU A 41 5.161 -6.261 3.050 1.00 71.14 H new ATOM 0 HD13 LEU A 41 5.659 -6.772 1.419 1.00 71.14 H new ATOM 0 HD21 LEU A 41 4.290 -9.535 1.556 1.00 23.31 H new ATOM 0 HD22 LEU A 41 5.948 -9.292 0.957 1.00 23.31 H new ATOM 0 HD23 LEU A 41 5.640 -10.438 2.283 1.00 23.31 H new ATOM 659 N GLY A 42 9.502 -9.334 5.499 1.00 62.02 N ATOM 660 CA GLY A 42 10.904 -9.139 5.860 1.00 60.51 C ATOM 661 C GLY A 42 11.323 -7.669 5.898 1.00 5.33 C ATOM 662 O GLY A 42 12.517 -7.358 5.962 1.00 62.34 O ATOM 0 H GLY A 42 8.875 -9.474 6.291 1.00 62.02 H new ATOM 0 HA2 GLY A 42 11.085 -9.586 6.837 1.00 60.51 H new ATOM 0 HA3 GLY A 42 11.533 -9.670 5.145 1.00 60.51 H new ATOM 666 N VAL A 43 10.342 -6.764 5.879 1.00 73.34 N ATOM 667 CA VAL A 43 10.617 -5.321 5.877 1.00 52.12 C ATOM 668 C VAL A 43 11.086 -4.834 7.258 1.00 0.43 C ATOM 669 O VAL A 43 10.303 -4.774 8.208 1.00 42.51 O ATOM 670 CB VAL A 43 9.368 -4.507 5.449 1.00 74.04 C ATOM 671 CG1 VAL A 43 9.681 -3.008 5.397 1.00 62.31 C ATOM 672 CG2 VAL A 43 8.835 -5.001 4.105 1.00 55.42 C ATOM 0 H VAL A 43 9.350 -7.002 5.865 1.00 73.34 H new ATOM 0 HA VAL A 43 11.415 -5.158 5.153 1.00 52.12 H new ATOM 0 HB VAL A 43 8.591 -4.660 6.198 1.00 74.04 H new ATOM 0 HG11 VAL A 43 8.789 -2.460 5.094 1.00 62.31 H new ATOM 0 HG12 VAL A 43 9.998 -2.668 6.383 1.00 62.31 H new ATOM 0 HG13 VAL A 43 10.479 -2.828 4.677 1.00 62.31 H new ATOM 0 HG21 VAL A 43 7.959 -4.416 3.824 1.00 55.42 H new ATOM 0 HG22 VAL A 43 9.607 -4.887 3.344 1.00 55.42 H new ATOM 0 HG23 VAL A 43 8.558 -6.052 4.187 1.00 55.42 H new ATOM 682 N ALA A 44 12.367 -4.488 7.359 1.00 62.03 N ATOM 683 CA ALA A 44 12.941 -3.996 8.617 1.00 34.34 C ATOM 684 C ALA A 44 12.473 -2.569 8.942 1.00 1.00 C ATOM 685 O ALA A 44 12.228 -1.759 8.041 1.00 4.22 O ATOM 686 CB ALA A 44 14.464 -4.046 8.557 1.00 72.53 C ATOM 0 H ALA A 44 13.031 -4.538 6.586 1.00 62.03 H new ATOM 0 HA ALA A 44 12.588 -4.649 9.415 1.00 34.34 H new ATOM 0 HB1 ALA A 44 14.877 -3.678 9.496 1.00 72.53 H new ATOM 0 HB2 ALA A 44 14.788 -5.074 8.396 1.00 72.53 H new ATOM 0 HB3 ALA A 44 14.816 -3.421 7.736 1.00 72.53 H new ATOM 692 N GLU A 45 12.357 -2.271 10.234 1.00 13.24 N ATOM 693 CA GLU A 45 11.943 -0.943 10.702 1.00 71.11 C ATOM 694 C GLU A 45 12.824 0.163 10.098 1.00 33.21 C ATOM 695 O GLU A 45 14.038 0.196 10.312 1.00 45.11 O ATOM 696 CB GLU A 45 12.004 -0.902 12.234 1.00 44.44 C ATOM 697 CG GLU A 45 11.482 0.391 12.849 1.00 43.31 C ATOM 698 CD GLU A 45 11.428 0.324 14.367 1.00 13.43 C ATOM 699 OE1 GLU A 45 10.414 -0.168 14.907 1.00 22.30 O ATOM 700 OE2 GLU A 45 12.403 0.741 15.022 1.00 23.34 O ATOM 0 H GLU A 45 12.545 -2.936 10.985 1.00 13.24 H new ATOM 0 HA GLU A 45 10.920 -0.761 10.374 1.00 71.11 H new ATOM 0 HB2 GLU A 45 11.428 -1.738 12.631 1.00 44.44 H new ATOM 0 HB3 GLU A 45 13.037 -1.049 12.549 1.00 44.44 H new ATOM 0 HG2 GLU A 45 12.122 1.220 12.546 1.00 43.31 H new ATOM 0 HG3 GLU A 45 10.485 0.600 12.461 1.00 43.31 H new ATOM 707 N GLY A 46 12.205 1.068 9.346 1.00 51.31 N ATOM 708 CA GLY A 46 12.950 2.088 8.611 1.00 12.21 C ATOM 709 C GLY A 46 12.788 1.945 7.100 1.00 53.14 C ATOM 710 O GLY A 46 13.123 2.854 6.340 1.00 14.42 O ATOM 0 H GLY A 46 11.193 1.117 9.229 1.00 51.31 H new ATOM 0 HA2 GLY A 46 12.609 3.077 8.919 1.00 12.21 H new ATOM 0 HA3 GLY A 46 14.007 2.020 8.869 1.00 12.21 H new ATOM 714 N GLY A 47 12.270 0.796 6.665 1.00 74.20 N ATOM 715 CA GLY A 47 12.041 0.551 5.243 1.00 24.31 C ATOM 716 C GLY A 47 10.604 0.841 4.806 1.00 20.42 C ATOM 717 O GLY A 47 10.357 1.176 3.646 1.00 32.54 O ATOM 0 H GLY A 47 12.002 0.024 7.275 1.00 74.20 H new ATOM 0 HA2 GLY A 47 12.723 1.169 4.660 1.00 24.31 H new ATOM 0 HA3 GLY A 47 12.280 -0.488 5.017 1.00 24.31 H new ATOM 721 N GLU A 48 9.657 0.726 5.741 1.00 51.22 N ATOM 722 CA GLU A 48 8.229 0.957 5.453 1.00 54.02 C ATOM 723 C GLU A 48 7.960 2.412 5.026 1.00 13.14 C ATOM 724 O GLU A 48 7.001 2.697 4.304 1.00 73.21 O ATOM 725 CB GLU A 48 7.363 0.597 6.678 1.00 71.15 C ATOM 726 CG GLU A 48 7.547 1.516 7.891 1.00 25.34 C ATOM 727 CD GLU A 48 8.961 1.491 8.453 1.00 63.22 C ATOM 728 OE1 GLU A 48 9.290 0.553 9.211 1.00 3.11 O ATOM 729 OE2 GLU A 48 9.756 2.393 8.117 1.00 54.05 O ATOM 0 H GLU A 48 9.850 0.473 6.710 1.00 51.22 H new ATOM 0 HA GLU A 48 7.957 0.308 4.620 1.00 54.02 H new ATOM 0 HB2 GLU A 48 6.314 0.616 6.382 1.00 71.15 H new ATOM 0 HB3 GLU A 48 7.591 -0.426 6.978 1.00 71.15 H new ATOM 0 HG2 GLU A 48 7.294 2.537 7.607 1.00 25.34 H new ATOM 0 HG3 GLU A 48 6.847 1.220 8.672 1.00 25.34 H new ATOM 736 N ARG A 49 8.806 3.332 5.486 1.00 21.13 N ATOM 737 CA ARG A 49 8.723 4.742 5.080 1.00 14.11 C ATOM 738 C ARG A 49 9.074 4.928 3.590 1.00 23.22 C ATOM 739 O ARG A 49 8.800 5.977 3.005 1.00 12.11 O ATOM 740 CB ARG A 49 9.664 5.594 5.942 1.00 21.05 C ATOM 741 CG ARG A 49 11.130 5.194 5.818 1.00 31.34 C ATOM 742 CD ARG A 49 12.039 6.088 6.649 1.00 51.53 C ATOM 743 NE ARG A 49 13.436 5.670 6.558 1.00 31.43 N ATOM 744 CZ ARG A 49 14.447 6.372 6.991 1.00 15.55 C ATOM 745 NH1 ARG A 49 14.272 7.552 7.496 1.00 21.41 N ATOM 746 NH2 ARG A 49 15.642 5.896 6.899 1.00 44.23 N ATOM 0 H ARG A 49 9.560 3.130 6.142 1.00 21.13 H new ATOM 0 HA ARG A 49 7.693 5.067 5.227 1.00 14.11 H new ATOM 0 HB2 ARG A 49 9.556 6.641 5.658 1.00 21.05 H new ATOM 0 HB3 ARG A 49 9.361 5.514 6.986 1.00 21.05 H new ATOM 0 HG2 ARG A 49 11.251 4.159 6.136 1.00 31.34 H new ATOM 0 HG3 ARG A 49 11.432 5.243 4.772 1.00 31.34 H new ATOM 0 HD2 ARG A 49 11.945 7.119 6.309 1.00 51.53 H new ATOM 0 HD3 ARG A 49 11.719 6.065 7.691 1.00 51.53 H new ATOM 0 HE ARG A 49 13.635 4.767 6.126 1.00 31.43 H new ATOM 0 HH11 ARG A 49 13.333 7.945 7.560 1.00 21.41 H new ATOM 0 HH12 ARG A 49 15.073 8.088 7.830 1.00 21.41 H new ATOM 0 HH21 ARG A 49 15.794 4.974 6.489 1.00 44.23 H new ATOM 0 HH22 ARG A 49 16.435 6.441 7.236 1.00 44.23 H new ATOM 760 N CYS A 50 9.690 3.907 2.991 1.00 41.00 N ATOM 761 CA CYS A 50 10.068 3.934 1.568 1.00 0.24 C ATOM 762 C CYS A 50 9.644 2.626 0.867 1.00 35.43 C ATOM 763 O CYS A 50 10.488 1.819 0.466 1.00 23.25 O ATOM 764 CB CYS A 50 11.585 4.140 1.420 1.00 24.20 C ATOM 765 SG CYS A 50 12.218 5.639 2.213 1.00 23.43 S ATOM 0 H CYS A 50 9.941 3.042 3.470 1.00 41.00 H new ATOM 0 HA CYS A 50 9.550 4.768 1.094 1.00 0.24 H new ATOM 0 HB2 CYS A 50 12.099 3.276 1.841 1.00 24.20 H new ATOM 0 HB3 CYS A 50 11.833 4.173 0.359 1.00 24.20 H new ATOM 0 HG CYS A 50 13.503 5.716 2.031 1.00 23.43 H new ATOM 771 N PRO A 51 8.321 2.414 0.694 1.00 61.13 N ATOM 772 CA PRO A 51 7.766 1.139 0.184 1.00 62.24 C ATOM 773 C PRO A 51 8.256 0.768 -1.230 1.00 11.11 C ATOM 774 O PRO A 51 8.216 -0.401 -1.623 1.00 15.30 O ATOM 775 CB PRO A 51 6.246 1.383 0.191 1.00 24.20 C ATOM 776 CG PRO A 51 6.093 2.866 0.188 1.00 21.50 C ATOM 777 CD PRO A 51 7.259 3.399 0.970 1.00 43.54 C ATOM 0 HA PRO A 51 8.085 0.297 0.798 1.00 62.24 H new ATOM 0 HB2 PRO A 51 5.770 0.935 -0.682 1.00 24.20 H new ATOM 0 HB3 PRO A 51 5.779 0.940 1.071 1.00 24.20 H new ATOM 0 HG2 PRO A 51 6.093 3.257 -0.829 1.00 21.50 H new ATOM 0 HG3 PRO A 51 5.148 3.163 0.644 1.00 21.50 H new ATOM 0 HD2 PRO A 51 7.541 4.399 0.642 1.00 43.54 H new ATOM 0 HD3 PRO A 51 7.035 3.464 2.035 1.00 43.54 H new ATOM 785 N GLN A 52 8.719 1.760 -1.992 1.00 22.02 N ATOM 786 CA GLN A 52 9.271 1.522 -3.335 1.00 64.11 C ATOM 787 C GLN A 52 10.425 0.498 -3.311 1.00 12.24 C ATOM 788 O GLN A 52 10.697 -0.170 -4.307 1.00 13.31 O ATOM 789 CB GLN A 52 9.762 2.842 -3.945 1.00 71.22 C ATOM 790 CG GLN A 52 10.849 3.529 -3.123 1.00 25.11 C ATOM 791 CD GLN A 52 11.406 4.777 -3.788 1.00 64.12 C ATOM 792 OE1 GLN A 52 10.715 5.469 -4.530 1.00 34.03 O ATOM 793 NE2 GLN A 52 12.663 5.076 -3.524 1.00 43.12 N ATOM 0 H GLN A 52 8.725 2.739 -1.705 1.00 22.02 H new ATOM 0 HA GLN A 52 8.471 1.108 -3.948 1.00 64.11 H new ATOM 0 HB2 GLN A 52 10.144 2.649 -4.948 1.00 71.22 H new ATOM 0 HB3 GLN A 52 8.915 3.520 -4.051 1.00 71.22 H new ATOM 0 HG2 GLN A 52 10.443 3.796 -2.147 1.00 25.11 H new ATOM 0 HG3 GLN A 52 11.662 2.825 -2.948 1.00 25.11 H new ATOM 0 HE21 GLN A 52 13.209 4.479 -2.903 1.00 43.12 H new ATOM 0 HE22 GLN A 52 13.089 5.904 -3.941 1.00 43.12 H new ATOM 802 N SER A 53 11.091 0.379 -2.162 1.00 42.11 N ATOM 803 CA SER A 53 12.222 -0.552 -2.004 1.00 2.41 C ATOM 804 C SER A 53 11.750 -2.005 -1.824 1.00 2.42 C ATOM 805 O SER A 53 12.529 -2.944 -1.987 1.00 23.03 O ATOM 806 CB SER A 53 13.081 -0.137 -0.799 1.00 2.15 C ATOM 807 OG SER A 53 14.181 -1.017 -0.604 1.00 65.41 O ATOM 0 H SER A 53 10.870 0.914 -1.322 1.00 42.11 H new ATOM 0 HA SER A 53 12.815 -0.503 -2.917 1.00 2.41 H new ATOM 0 HB2 SER A 53 13.450 0.878 -0.948 1.00 2.15 H new ATOM 0 HB3 SER A 53 12.464 -0.123 0.099 1.00 2.15 H new ATOM 0 HG SER A 53 14.704 -0.720 0.170 1.00 65.41 H new ATOM 813 N VAL A 54 10.475 -2.185 -1.487 1.00 12.53 N ATOM 814 CA VAL A 54 9.910 -3.525 -1.253 1.00 43.51 C ATOM 815 C VAL A 54 9.205 -4.069 -2.511 1.00 31.41 C ATOM 816 O VAL A 54 9.012 -5.278 -2.659 1.00 14.25 O ATOM 817 CB VAL A 54 8.898 -3.493 -0.077 1.00 64.51 C ATOM 818 CG1 VAL A 54 8.430 -4.903 0.288 1.00 34.52 C ATOM 819 CG2 VAL A 54 9.500 -2.785 1.138 1.00 51.44 C ATOM 0 H VAL A 54 9.808 -1.423 -1.368 1.00 12.53 H new ATOM 0 HA VAL A 54 10.741 -4.186 -1.004 1.00 43.51 H new ATOM 0 HB VAL A 54 8.025 -2.927 -0.402 1.00 64.51 H new ATOM 0 HG11 VAL A 54 7.722 -4.849 1.115 1.00 34.52 H new ATOM 0 HG12 VAL A 54 7.946 -5.360 -0.575 1.00 34.52 H new ATOM 0 HG13 VAL A 54 9.288 -5.506 0.584 1.00 34.52 H new ATOM 0 HG21 VAL A 54 8.773 -2.774 1.950 1.00 51.44 H new ATOM 0 HG22 VAL A 54 10.397 -3.315 1.460 1.00 51.44 H new ATOM 0 HG23 VAL A 54 9.760 -1.761 0.870 1.00 51.44 H new ATOM 829 N GLY A 55 8.836 -3.168 -3.421 1.00 52.03 N ATOM 830 CA GLY A 55 8.097 -3.557 -4.620 1.00 13.25 C ATOM 831 C GLY A 55 6.600 -3.293 -4.490 1.00 73.22 C ATOM 832 O GLY A 55 6.171 -2.139 -4.479 1.00 14.24 O ATOM 0 H GLY A 55 9.035 -2.170 -3.351 1.00 52.03 H new ATOM 0 HA2 GLY A 55 8.487 -3.009 -5.478 1.00 13.25 H new ATOM 0 HA3 GLY A 55 8.261 -4.616 -4.817 1.00 13.25 H new ATOM 836 N TRP A 56 5.801 -4.355 -4.399 1.00 32.45 N ATOM 837 CA TRP A 56 4.357 -4.219 -4.149 1.00 71.12 C ATOM 838 C TRP A 56 3.947 -4.963 -2.865 1.00 52.32 C ATOM 839 O TRP A 56 4.501 -6.015 -2.540 1.00 22.54 O ATOM 840 CB TRP A 56 3.528 -4.682 -5.365 1.00 24.14 C ATOM 841 CG TRP A 56 3.662 -6.136 -5.749 1.00 2.50 C ATOM 842 CD1 TRP A 56 4.612 -7.033 -5.349 1.00 60.32 C ATOM 843 CD2 TRP A 56 2.800 -6.850 -6.648 1.00 44.41 C ATOM 844 NE1 TRP A 56 4.386 -8.254 -5.933 1.00 13.42 N ATOM 845 CE2 TRP A 56 3.280 -8.168 -6.733 1.00 20.21 C ATOM 846 CE3 TRP A 56 1.661 -6.500 -7.379 1.00 70.31 C ATOM 847 CZ2 TRP A 56 2.664 -9.135 -7.525 1.00 13.04 C ATOM 848 CZ3 TRP A 56 1.052 -7.459 -8.166 1.00 3.03 C ATOM 849 CH2 TRP A 56 1.554 -8.765 -8.232 1.00 51.13 C ATOM 0 H TRP A 56 6.123 -5.318 -4.494 1.00 32.45 H new ATOM 0 HA TRP A 56 4.143 -3.161 -3.999 1.00 71.12 H new ATOM 0 HB2 TRP A 56 2.477 -4.477 -5.161 1.00 24.14 H new ATOM 0 HB3 TRP A 56 3.811 -4.073 -6.224 1.00 24.14 H new ATOM 0 HD1 TRP A 56 5.423 -6.813 -4.671 1.00 60.32 H new ATOM 0 HE1 TRP A 56 4.952 -9.091 -5.793 1.00 13.42 H new ATOM 0 HE3 TRP A 56 1.264 -5.497 -7.330 1.00 70.31 H new ATOM 0 HZ2 TRP A 56 3.050 -10.142 -7.578 1.00 13.04 H new ATOM 0 HZ3 TRP A 56 0.175 -7.197 -8.739 1.00 3.03 H new ATOM 0 HH2 TRP A 56 1.055 -9.494 -8.853 1.00 51.13 H new ATOM 860 N MET A 57 2.993 -4.397 -2.120 1.00 25.40 N ATOM 861 CA MET A 57 2.606 -4.941 -0.806 1.00 42.54 C ATOM 862 C MET A 57 1.074 -5.013 -0.642 1.00 63.33 C ATOM 863 O MET A 57 0.350 -4.193 -1.202 1.00 3.34 O ATOM 864 CB MET A 57 3.203 -4.074 0.315 1.00 51.14 C ATOM 865 CG MET A 57 4.713 -3.889 0.215 1.00 10.31 C ATOM 866 SD MET A 57 5.402 -2.963 1.603 1.00 20.52 S ATOM 867 CE MET A 57 4.447 -1.446 1.526 1.00 40.23 C ATOM 0 H MET A 57 2.473 -3.565 -2.399 1.00 25.40 H new ATOM 0 HA MET A 57 2.998 -5.956 -0.742 1.00 42.54 H new ATOM 0 HB2 MET A 57 2.725 -3.095 0.297 1.00 51.14 H new ATOM 0 HB3 MET A 57 2.965 -4.527 1.277 1.00 51.14 H new ATOM 0 HG2 MET A 57 5.191 -4.867 0.165 1.00 10.31 H new ATOM 0 HG3 MET A 57 4.950 -3.370 -0.714 1.00 10.31 H new ATOM 0 HE1 MET A 57 4.868 -0.716 2.217 1.00 40.23 H new ATOM 0 HE2 MET A 57 4.480 -1.047 0.512 1.00 40.23 H new ATOM 0 HE3 MET A 57 3.413 -1.653 1.801 1.00 40.23 H new ATOM 877 N PRO A 58 0.562 -5.993 0.137 1.00 13.44 N ATOM 878 CA PRO A 58 -0.889 -6.144 0.376 1.00 64.14 C ATOM 879 C PRO A 58 -1.480 -5.015 1.243 1.00 52.31 C ATOM 880 O PRO A 58 -1.033 -4.780 2.370 1.00 64.50 O ATOM 881 CB PRO A 58 -0.985 -7.496 1.104 1.00 3.04 C ATOM 882 CG PRO A 58 0.343 -7.665 1.763 1.00 34.22 C ATOM 883 CD PRO A 58 1.345 -7.036 0.833 1.00 44.41 C ATOM 0 HA PRO A 58 -1.458 -6.097 -0.552 1.00 64.14 H new ATOM 0 HB2 PRO A 58 -1.793 -7.496 1.835 1.00 3.04 H new ATOM 0 HB3 PRO A 58 -1.187 -8.308 0.406 1.00 3.04 H new ATOM 0 HG2 PRO A 58 0.359 -7.182 2.740 1.00 34.22 H new ATOM 0 HG3 PRO A 58 0.568 -8.719 1.925 1.00 34.22 H new ATOM 0 HD2 PRO A 58 2.186 -6.609 1.379 1.00 44.41 H new ATOM 0 HD3 PRO A 58 1.755 -7.764 0.133 1.00 44.41 H new ATOM 891 N GLY A 59 -2.490 -4.321 0.717 1.00 54.53 N ATOM 892 CA GLY A 59 -3.121 -3.232 1.457 1.00 24.32 C ATOM 893 C GLY A 59 -4.617 -3.086 1.174 1.00 71.13 C ATOM 894 O GLY A 59 -5.130 -3.617 0.186 1.00 3.35 O ATOM 0 H GLY A 59 -2.884 -4.492 -0.208 1.00 54.53 H new ATOM 0 HA2 GLY A 59 -2.976 -3.397 2.525 1.00 24.32 H new ATOM 0 HA3 GLY A 59 -2.620 -2.297 1.208 1.00 24.32 H new ATOM 898 N LEU A 60 -5.310 -2.356 2.050 1.00 74.30 N ATOM 899 CA LEU A 60 -6.758 -2.133 1.924 1.00 0.35 C ATOM 900 C LEU A 60 -7.078 -0.694 1.483 1.00 74.33 C ATOM 901 O LEU A 60 -6.660 0.268 2.127 1.00 40.15 O ATOM 902 CB LEU A 60 -7.442 -2.424 3.269 1.00 64.54 C ATOM 903 CG LEU A 60 -8.941 -2.084 3.347 1.00 55.21 C ATOM 904 CD1 LEU A 60 -9.737 -2.876 2.317 1.00 72.34 C ATOM 905 CD2 LEU A 60 -9.475 -2.339 4.753 1.00 42.42 C ATOM 0 H LEU A 60 -4.890 -1.904 2.862 1.00 74.30 H new ATOM 0 HA LEU A 60 -7.135 -2.809 1.157 1.00 0.35 H new ATOM 0 HB2 LEU A 60 -7.317 -3.483 3.497 1.00 64.54 H new ATOM 0 HB3 LEU A 60 -6.922 -1.866 4.048 1.00 64.54 H new ATOM 0 HG LEU A 60 -9.059 -1.025 3.119 1.00 55.21 H new ATOM 0 HD11 LEU A 60 -10.793 -2.616 2.395 1.00 72.34 H new ATOM 0 HD12 LEU A 60 -9.377 -2.637 1.316 1.00 72.34 H new ATOM 0 HD13 LEU A 60 -9.612 -3.943 2.502 1.00 72.34 H new ATOM 0 HD21 LEU A 60 -10.536 -2.093 4.789 1.00 42.42 H new ATOM 0 HD22 LEU A 60 -9.337 -3.389 5.010 1.00 42.42 H new ATOM 0 HD23 LEU A 60 -8.934 -1.717 5.466 1.00 42.42 H new ATOM 917 N ASN A 61 -7.827 -0.558 0.388 1.00 61.22 N ATOM 918 CA ASN A 61 -8.274 0.756 -0.096 1.00 44.14 C ATOM 919 C ASN A 61 -9.604 1.161 0.576 1.00 10.21 C ATOM 920 O ASN A 61 -10.599 0.448 0.471 1.00 43.04 O ATOM 921 CB ASN A 61 -8.435 0.707 -1.625 1.00 35.31 C ATOM 922 CG ASN A 61 -8.804 2.051 -2.234 1.00 54.40 C ATOM 923 OD1 ASN A 61 -9.449 2.880 -1.609 1.00 65.34 O ATOM 924 ND2 ASN A 61 -8.410 2.273 -3.467 1.00 1.42 N ATOM 0 H ASN A 61 -8.140 -1.342 -0.184 1.00 61.22 H new ATOM 0 HA ASN A 61 -7.526 1.506 0.163 1.00 44.14 H new ATOM 0 HB2 ASN A 61 -7.504 0.357 -2.071 1.00 35.31 H new ATOM 0 HB3 ASN A 61 -9.204 -0.023 -1.879 1.00 35.31 H new ATOM 0 HD21 ASN A 61 -8.641 3.154 -3.925 1.00 1.42 H new ATOM 0 HD22 ASN A 61 -7.873 1.564 -3.966 1.00 1.42 H new ATOM 931 N GLU A 62 -9.623 2.315 1.243 1.00 54.44 N ATOM 932 CA GLU A 62 -10.814 2.761 1.990 1.00 15.42 C ATOM 933 C GLU A 62 -11.978 3.215 1.082 1.00 12.24 C ATOM 934 O GLU A 62 -13.111 3.354 1.548 1.00 64.15 O ATOM 935 CB GLU A 62 -10.436 3.875 2.975 1.00 25.22 C ATOM 936 CG GLU A 62 -9.595 3.389 4.155 1.00 71.34 C ATOM 937 CD GLU A 62 -10.345 2.408 5.052 1.00 32.24 C ATOM 938 OE1 GLU A 62 -11.113 2.867 5.926 1.00 53.25 O ATOM 939 OE2 GLU A 62 -10.171 1.183 4.893 1.00 0.52 O ATOM 0 H GLU A 62 -8.834 2.960 1.285 1.00 54.44 H new ATOM 0 HA GLU A 62 -11.178 1.892 2.538 1.00 15.42 H new ATOM 0 HB2 GLU A 62 -9.885 4.649 2.441 1.00 25.22 H new ATOM 0 HB3 GLU A 62 -11.347 4.337 3.355 1.00 25.22 H new ATOM 0 HG2 GLU A 62 -8.691 2.911 3.778 1.00 71.34 H new ATOM 0 HG3 GLU A 62 -9.279 4.247 4.748 1.00 71.34 H new ATOM 946 N ARG A 63 -11.715 3.455 -0.204 1.00 64.22 N ATOM 947 CA ARG A 63 -12.797 3.759 -1.158 1.00 25.01 C ATOM 948 C ARG A 63 -13.396 2.473 -1.749 1.00 21.55 C ATOM 949 O ARG A 63 -14.546 2.122 -1.477 1.00 31.43 O ATOM 950 CB ARG A 63 -12.314 4.660 -2.310 1.00 63.31 C ATOM 951 CG ARG A 63 -11.834 6.043 -1.881 1.00 62.31 C ATOM 952 CD ARG A 63 -11.711 6.989 -3.078 1.00 34.52 C ATOM 953 NE ARG A 63 -13.015 7.353 -3.642 1.00 22.54 N ATOM 954 CZ ARG A 63 -13.208 8.359 -4.457 1.00 50.32 C ATOM 955 NH1 ARG A 63 -12.220 9.115 -4.818 1.00 71.10 N ATOM 956 NH2 ARG A 63 -14.396 8.609 -4.907 1.00 43.12 N ATOM 0 H ARG A 63 -10.779 3.447 -0.610 1.00 64.22 H new ATOM 0 HA ARG A 63 -13.562 4.292 -0.593 1.00 25.01 H new ATOM 0 HB2 ARG A 63 -11.502 4.154 -2.832 1.00 63.31 H new ATOM 0 HB3 ARG A 63 -13.128 4.779 -3.026 1.00 63.31 H new ATOM 0 HG2 ARG A 63 -12.530 6.462 -1.155 1.00 62.31 H new ATOM 0 HG3 ARG A 63 -10.868 5.956 -1.383 1.00 62.31 H new ATOM 0 HD2 ARG A 63 -11.187 7.894 -2.770 1.00 34.52 H new ATOM 0 HD3 ARG A 63 -11.104 6.516 -3.850 1.00 34.52 H new ATOM 0 HE ARG A 63 -13.823 6.786 -3.383 1.00 22.54 H new ATOM 0 HH11 ARG A 63 -11.281 8.929 -4.467 1.00 71.10 H new ATOM 0 HH12 ARG A 63 -12.381 9.896 -5.454 1.00 71.10 H new ATOM 0 HH21 ARG A 63 -15.182 8.022 -4.626 1.00 43.12 H new ATOM 0 HH22 ARG A 63 -14.546 9.393 -5.542 1.00 43.12 H new ATOM 970 N THR A 64 -12.602 1.770 -2.557 1.00 22.10 N ATOM 971 CA THR A 64 -13.059 0.549 -3.245 1.00 0.30 C ATOM 972 C THR A 64 -13.234 -0.627 -2.274 1.00 51.52 C ATOM 973 O THR A 64 -13.969 -1.573 -2.557 1.00 60.14 O ATOM 974 CB THR A 64 -12.069 0.130 -4.357 1.00 13.05 C ATOM 975 OG1 THR A 64 -10.796 -0.206 -3.783 1.00 62.20 O ATOM 976 CG2 THR A 64 -11.886 1.251 -5.378 1.00 32.55 C ATOM 0 H THR A 64 -11.634 2.022 -2.756 1.00 22.10 H new ATOM 0 HA THR A 64 -14.027 0.791 -3.685 1.00 0.30 H new ATOM 0 HB THR A 64 -12.483 -0.741 -4.865 1.00 13.05 H new ATOM 0 HG1 THR A 64 -10.079 0.082 -4.386 1.00 62.20 H new ATOM 0 HG21 THR A 64 -11.185 0.930 -6.149 1.00 32.55 H new ATOM 0 HG22 THR A 64 -12.847 1.486 -5.836 1.00 32.55 H new ATOM 0 HG23 THR A 64 -11.495 2.138 -4.879 1.00 32.55 H new ATOM 984 N ARG A 65 -12.539 -0.561 -1.135 1.00 63.44 N ATOM 985 CA ARG A 65 -12.577 -1.608 -0.095 1.00 24.30 C ATOM 986 C ARG A 65 -11.966 -2.935 -0.580 1.00 23.13 C ATOM 987 O ARG A 65 -12.043 -3.956 0.111 1.00 64.25 O ATOM 988 CB ARG A 65 -14.006 -1.837 0.422 1.00 40.03 C ATOM 989 CG ARG A 65 -14.709 -0.569 0.907 1.00 52.03 C ATOM 990 CD ARG A 65 -13.805 0.314 1.768 1.00 65.30 C ATOM 991 NE ARG A 65 -13.194 -0.403 2.888 1.00 63.14 N ATOM 992 CZ ARG A 65 -13.623 -0.339 4.120 1.00 15.20 C ATOM 993 NH1 ARG A 65 -14.720 0.287 4.404 1.00 42.43 N ATOM 994 NH2 ARG A 65 -12.958 -0.915 5.070 1.00 20.11 N ATOM 0 H ARG A 65 -11.929 0.222 -0.902 1.00 63.44 H new ATOM 0 HA ARG A 65 -11.965 -1.244 0.730 1.00 24.30 H new ATOM 0 HB2 ARG A 65 -14.600 -2.286 -0.374 1.00 40.03 H new ATOM 0 HB3 ARG A 65 -13.973 -2.556 1.240 1.00 40.03 H new ATOM 0 HG2 ARG A 65 -15.054 0.002 0.045 1.00 52.03 H new ATOM 0 HG3 ARG A 65 -15.593 -0.846 1.481 1.00 52.03 H new ATOM 0 HD2 ARG A 65 -13.018 0.736 1.143 1.00 65.30 H new ATOM 0 HD3 ARG A 65 -14.387 1.150 2.155 1.00 65.30 H new ATOM 0 HE ARG A 65 -12.382 -0.989 2.694 1.00 63.14 H new ATOM 0 HH11 ARG A 65 -15.258 0.736 3.662 1.00 42.43 H new ATOM 0 HH12 ARG A 65 -15.047 0.331 5.369 1.00 42.43 H new ATOM 0 HH21 ARG A 65 -12.098 -1.420 4.857 1.00 20.11 H new ATOM 0 HH22 ARG A 65 -13.294 -0.864 6.032 1.00 20.11 H new ATOM 1008 N GLN A 66 -11.345 -2.911 -1.754 1.00 52.30 N ATOM 1009 CA GLN A 66 -10.667 -4.090 -2.295 1.00 10.43 C ATOM 1010 C GLN A 66 -9.297 -4.290 -1.629 1.00 0.32 C ATOM 1011 O GLN A 66 -8.657 -3.328 -1.198 1.00 14.45 O ATOM 1012 CB GLN A 66 -10.504 -3.946 -3.817 1.00 50.40 C ATOM 1013 CG GLN A 66 -11.822 -3.982 -4.585 1.00 41.02 C ATOM 1014 CD GLN A 66 -12.485 -5.346 -4.531 1.00 74.22 C ATOM 1015 OE1 GLN A 66 -13.271 -5.640 -3.636 1.00 54.44 O ATOM 1016 NE2 GLN A 66 -12.166 -6.196 -5.483 1.00 13.01 N ATOM 0 H GLN A 66 -11.295 -2.087 -2.353 1.00 52.30 H new ATOM 0 HA GLN A 66 -11.277 -4.968 -2.082 1.00 10.43 H new ATOM 0 HB2 GLN A 66 -9.995 -3.006 -4.031 1.00 50.40 H new ATOM 0 HB3 GLN A 66 -9.860 -4.747 -4.181 1.00 50.40 H new ATOM 0 HG2 GLN A 66 -12.500 -3.235 -4.173 1.00 41.02 H new ATOM 0 HG3 GLN A 66 -11.641 -3.710 -5.625 1.00 41.02 H new ATOM 0 HE21 GLN A 66 -11.509 -5.921 -6.213 1.00 13.01 H new ATOM 0 HE22 GLN A 66 -12.576 -7.130 -5.491 1.00 13.01 H new ATOM 1025 N ARG A 67 -8.866 -5.544 -1.522 1.00 14.03 N ATOM 1026 CA ARG A 67 -7.545 -5.867 -0.970 1.00 12.21 C ATOM 1027 C ARG A 67 -6.640 -6.456 -2.059 1.00 24.52 C ATOM 1028 O ARG A 67 -7.064 -7.321 -2.828 1.00 41.04 O ATOM 1029 CB ARG A 67 -7.657 -6.861 0.203 1.00 13.33 C ATOM 1030 CG ARG A 67 -8.446 -6.354 1.413 1.00 34.21 C ATOM 1031 CD ARG A 67 -9.950 -6.314 1.149 1.00 40.44 C ATOM 1032 NE ARG A 67 -10.474 -7.624 0.773 1.00 62.15 N ATOM 1033 CZ ARG A 67 -11.640 -7.821 0.220 1.00 4.35 C ATOM 1034 NH1 ARG A 67 -12.423 -6.824 -0.045 1.00 12.03 N ATOM 1035 NH2 ARG A 67 -12.018 -9.022 -0.074 1.00 70.33 N ATOM 0 H ARG A 67 -9.410 -6.357 -1.810 1.00 14.03 H new ATOM 0 HA ARG A 67 -7.107 -4.941 -0.598 1.00 12.21 H new ATOM 0 HB2 ARG A 67 -8.127 -7.775 -0.160 1.00 13.33 H new ATOM 0 HB3 ARG A 67 -6.652 -7.127 0.530 1.00 13.33 H new ATOM 0 HG2 ARG A 67 -8.247 -6.998 2.270 1.00 34.21 H new ATOM 0 HG3 ARG A 67 -8.099 -5.355 1.678 1.00 34.21 H new ATOM 0 HD2 ARG A 67 -10.466 -5.960 2.042 1.00 40.44 H new ATOM 0 HD3 ARG A 67 -10.160 -5.598 0.355 1.00 40.44 H new ATOM 0 HE ARG A 67 -9.890 -8.440 0.955 1.00 62.15 H new ATOM 0 HH11 ARG A 67 -12.131 -5.873 0.178 1.00 12.03 H new ATOM 0 HH12 ARG A 67 -13.332 -6.990 -0.477 1.00 12.03 H new ATOM 0 HH21 ARG A 67 -11.406 -9.813 0.126 1.00 70.33 H new ATOM 0 HH22 ARG A 67 -12.929 -9.179 -0.506 1.00 70.33 H new ATOM 1049 N GLY A 68 -5.402 -5.986 -2.122 1.00 52.01 N ATOM 1050 CA GLY A 68 -4.463 -6.486 -3.118 1.00 45.00 C ATOM 1051 C GLY A 68 -3.056 -5.942 -2.921 1.00 53.04 C ATOM 1052 O GLY A 68 -2.824 -5.110 -2.040 1.00 34.53 O ATOM 0 H GLY A 68 -5.027 -5.267 -1.503 1.00 52.01 H new ATOM 0 HA2 GLY A 68 -4.437 -7.575 -3.073 1.00 45.00 H new ATOM 0 HA3 GLY A 68 -4.817 -6.216 -4.113 1.00 45.00 H new ATOM 1056 N ASP A 69 -2.113 -6.404 -3.736 1.00 40.03 N ATOM 1057 CA ASP A 69 -0.726 -5.955 -3.634 1.00 73.31 C ATOM 1058 C ASP A 69 -0.501 -4.702 -4.494 1.00 30.10 C ATOM 1059 O ASP A 69 -0.483 -4.773 -5.722 1.00 12.45 O ATOM 1060 CB ASP A 69 0.222 -7.077 -4.064 1.00 3.13 C ATOM 1061 CG ASP A 69 0.022 -8.340 -3.245 1.00 15.20 C ATOM 1062 OD1 ASP A 69 -0.930 -9.096 -3.534 1.00 44.33 O ATOM 1063 OD2 ASP A 69 0.816 -8.593 -2.314 1.00 14.01 O ATOM 0 H ASP A 69 -2.282 -7.088 -4.474 1.00 40.03 H new ATOM 0 HA ASP A 69 -0.517 -5.699 -2.595 1.00 73.31 H new ATOM 0 HB2 ASP A 69 0.063 -7.301 -5.119 1.00 3.13 H new ATOM 0 HB3 ASP A 69 1.253 -6.739 -3.962 1.00 3.13 H new ATOM 1068 N PHE A 70 -0.340 -3.553 -3.841 1.00 75.35 N ATOM 1069 CA PHE A 70 -0.168 -2.279 -4.548 1.00 2.22 C ATOM 1070 C PHE A 70 1.318 -1.895 -4.663 1.00 31.14 C ATOM 1071 O PHE A 70 2.093 -2.092 -3.722 1.00 54.15 O ATOM 1072 CB PHE A 70 -0.946 -1.158 -3.833 1.00 62.13 C ATOM 1073 CG PHE A 70 -0.433 -0.822 -2.447 1.00 35.12 C ATOM 1074 CD1 PHE A 70 -0.892 -1.514 -1.333 1.00 65.54 C ATOM 1075 CD2 PHE A 70 0.503 0.190 -2.258 1.00 24.40 C ATOM 1076 CE1 PHE A 70 -0.428 -1.205 -0.068 1.00 24.52 C ATOM 1077 CE2 PHE A 70 0.968 0.498 -0.994 1.00 45.25 C ATOM 1078 CZ PHE A 70 0.503 -0.200 0.101 1.00 63.11 C ATOM 0 H PHE A 70 -0.325 -3.475 -2.824 1.00 75.35 H new ATOM 0 HA PHE A 70 -0.565 -2.405 -5.555 1.00 2.22 H new ATOM 0 HB2 PHE A 70 -0.910 -0.259 -4.448 1.00 62.13 H new ATOM 0 HB3 PHE A 70 -1.993 -1.451 -3.758 1.00 62.13 H new ATOM 0 HD1 PHE A 70 -1.620 -2.302 -1.457 1.00 65.54 H new ATOM 0 HD2 PHE A 70 0.871 0.742 -3.110 1.00 24.40 H new ATOM 0 HE1 PHE A 70 -0.794 -1.751 0.789 1.00 24.52 H new ATOM 0 HE2 PHE A 70 1.696 1.285 -0.863 1.00 45.25 H new ATOM 0 HZ PHE A 70 0.867 0.039 1.089 1.00 63.11 H new ATOM 1088 N PRO A 71 1.741 -1.348 -5.821 1.00 73.43 N ATOM 1089 CA PRO A 71 3.124 -0.870 -6.015 1.00 62.44 C ATOM 1090 C PRO A 71 3.491 0.277 -5.053 1.00 33.42 C ATOM 1091 O PRO A 71 2.921 1.361 -5.121 1.00 54.35 O ATOM 1092 CB PRO A 71 3.136 -0.373 -7.474 1.00 62.11 C ATOM 1093 CG PRO A 71 1.950 -1.010 -8.119 1.00 12.43 C ATOM 1094 CD PRO A 71 0.921 -1.169 -7.032 1.00 34.02 C ATOM 0 HA PRO A 71 3.854 -1.654 -5.813 1.00 62.44 H new ATOM 0 HB2 PRO A 71 3.071 0.714 -7.519 1.00 62.11 H new ATOM 0 HB3 PRO A 71 4.059 -0.659 -7.979 1.00 62.11 H new ATOM 0 HG2 PRO A 71 1.568 -0.391 -8.930 1.00 12.43 H new ATOM 0 HG3 PRO A 71 2.213 -1.975 -8.552 1.00 12.43 H new ATOM 0 HD2 PRO A 71 0.276 -0.294 -6.956 1.00 34.02 H new ATOM 0 HD3 PRO A 71 0.274 -2.028 -7.212 1.00 34.02 H new ATOM 1102 N GLY A 72 4.464 0.052 -4.176 1.00 1.24 N ATOM 1103 CA GLY A 72 4.835 1.061 -3.183 1.00 51.34 C ATOM 1104 C GLY A 72 5.569 2.283 -3.756 1.00 1.23 C ATOM 1105 O GLY A 72 6.330 2.937 -3.046 1.00 0.34 O ATOM 0 H GLY A 72 5.007 -0.810 -4.130 1.00 1.24 H new ATOM 0 HA2 GLY A 72 3.932 1.401 -2.675 1.00 51.34 H new ATOM 0 HA3 GLY A 72 5.468 0.594 -2.429 1.00 51.34 H new ATOM 1109 N THR A 73 5.337 2.600 -5.031 1.00 31.34 N ATOM 1110 CA THR A 73 5.988 3.749 -5.683 1.00 32.22 C ATOM 1111 C THR A 73 5.039 4.948 -5.844 1.00 52.52 C ATOM 1112 O THR A 73 5.463 6.101 -5.780 1.00 75.40 O ATOM 1113 CB THR A 73 6.547 3.367 -7.076 1.00 73.14 C ATOM 1114 OG1 THR A 73 7.133 4.514 -7.714 1.00 53.32 O ATOM 1115 CG2 THR A 73 5.459 2.784 -7.974 1.00 24.40 C ATOM 0 H THR A 73 4.703 2.079 -5.637 1.00 31.34 H new ATOM 0 HA THR A 73 6.807 4.039 -5.025 1.00 32.22 H new ATOM 0 HB THR A 73 7.312 2.606 -6.923 1.00 73.14 H new ATOM 0 HG1 THR A 73 7.483 4.257 -8.592 1.00 53.32 H new ATOM 0 HG21 THR A 73 5.886 2.527 -8.943 1.00 24.40 H new ATOM 0 HG22 THR A 73 5.046 1.888 -7.510 1.00 24.40 H new ATOM 0 HG23 THR A 73 4.667 3.520 -8.110 1.00 24.40 H new ATOM 1123 N TYR A 74 3.747 4.674 -6.034 1.00 71.12 N ATOM 1124 CA TYR A 74 2.759 5.736 -6.292 1.00 53.02 C ATOM 1125 C TYR A 74 2.167 6.298 -4.986 1.00 70.34 C ATOM 1126 O TYR A 74 1.253 7.118 -5.021 1.00 5.35 O ATOM 1127 CB TYR A 74 1.612 5.197 -7.170 1.00 15.44 C ATOM 1128 CG TYR A 74 0.639 4.321 -6.406 1.00 33.04 C ATOM 1129 CD1 TYR A 74 0.947 3.000 -6.127 1.00 44.32 C ATOM 1130 CD2 TYR A 74 -0.566 4.826 -5.928 1.00 30.41 C ATOM 1131 CE1 TYR A 74 0.087 2.203 -5.400 1.00 33.34 C ATOM 1132 CE2 TYR A 74 -1.425 4.039 -5.192 1.00 72.34 C ATOM 1133 CZ TYR A 74 -1.092 2.729 -4.931 1.00 11.10 C ATOM 1134 OH TYR A 74 -1.935 1.947 -4.182 1.00 21.33 O ATOM 0 H TYR A 74 3.357 3.732 -6.015 1.00 71.12 H new ATOM 0 HA TYR A 74 3.281 6.541 -6.809 1.00 53.02 H new ATOM 0 HB2 TYR A 74 1.071 6.037 -7.606 1.00 15.44 H new ATOM 0 HB3 TYR A 74 2.033 4.626 -7.997 1.00 15.44 H new ATOM 0 HD1 TYR A 74 1.878 2.586 -6.485 1.00 44.32 H new ATOM 0 HD2 TYR A 74 -0.833 5.851 -6.137 1.00 30.41 H new ATOM 0 HE1 TYR A 74 0.339 1.172 -5.201 1.00 33.34 H new ATOM 0 HE2 TYR A 74 -2.354 4.447 -4.822 1.00 72.34 H new ATOM 0 HH TYR A 74 -1.435 1.541 -3.444 1.00 21.33 H new ATOM 1144 N VAL A 75 2.673 5.847 -3.841 1.00 72.23 N ATOM 1145 CA VAL A 75 2.097 6.226 -2.542 1.00 72.40 C ATOM 1146 C VAL A 75 3.042 7.102 -1.707 1.00 5.21 C ATOM 1147 O VAL A 75 4.264 6.963 -1.767 1.00 14.05 O ATOM 1148 CB VAL A 75 1.716 4.976 -1.702 1.00 34.15 C ATOM 1149 CG1 VAL A 75 0.543 4.232 -2.335 1.00 60.40 C ATOM 1150 CG2 VAL A 75 2.918 4.049 -1.532 1.00 34.12 C ATOM 0 H VAL A 75 3.476 5.222 -3.780 1.00 72.23 H new ATOM 0 HA VAL A 75 1.203 6.803 -2.778 1.00 72.40 H new ATOM 0 HB VAL A 75 1.407 5.315 -0.713 1.00 34.15 H new ATOM 0 HG11 VAL A 75 0.295 3.361 -1.729 1.00 60.40 H new ATOM 0 HG12 VAL A 75 -0.321 4.894 -2.389 1.00 60.40 H new ATOM 0 HG13 VAL A 75 0.816 3.909 -3.339 1.00 60.40 H new ATOM 0 HG21 VAL A 75 2.627 3.181 -0.941 1.00 34.12 H new ATOM 0 HG22 VAL A 75 3.266 3.721 -2.512 1.00 34.12 H new ATOM 0 HG23 VAL A 75 3.720 4.583 -1.022 1.00 34.12 H new ATOM 1160 N GLU A 76 2.452 8.009 -0.933 1.00 52.41 N ATOM 1161 CA GLU A 76 3.194 8.799 0.056 1.00 11.20 C ATOM 1162 C GLU A 76 2.944 8.247 1.471 1.00 41.34 C ATOM 1163 O GLU A 76 1.814 7.879 1.815 1.00 1.55 O ATOM 1164 CB GLU A 76 2.780 10.278 -0.009 1.00 13.32 C ATOM 1165 CG GLU A 76 1.288 10.500 0.198 1.00 43.01 C ATOM 1166 CD GLU A 76 0.901 11.968 0.307 1.00 40.42 C ATOM 1167 OE1 GLU A 76 0.740 12.630 -0.736 1.00 52.51 O ATOM 1168 OE2 GLU A 76 0.744 12.466 1.442 1.00 23.44 O ATOM 0 H GLU A 76 1.455 8.219 -0.970 1.00 52.41 H new ATOM 0 HA GLU A 76 4.257 8.725 -0.174 1.00 11.20 H new ATOM 0 HB2 GLU A 76 3.331 10.835 0.749 1.00 13.32 H new ATOM 0 HB3 GLU A 76 3.069 10.686 -0.978 1.00 13.32 H new ATOM 0 HG2 GLU A 76 0.743 10.050 -0.632 1.00 43.01 H new ATOM 0 HG3 GLU A 76 0.974 9.982 1.104 1.00 43.01 H new ATOM 1175 N PHE A 77 3.995 8.181 2.283 1.00 41.15 N ATOM 1176 CA PHE A 77 3.888 7.654 3.650 1.00 43.32 C ATOM 1177 C PHE A 77 3.212 8.666 4.594 1.00 33.11 C ATOM 1178 O PHE A 77 3.743 9.752 4.842 1.00 1.05 O ATOM 1179 CB PHE A 77 5.283 7.281 4.177 1.00 34.21 C ATOM 1180 CG PHE A 77 5.274 6.647 5.545 1.00 73.44 C ATOM 1181 CD1 PHE A 77 4.806 5.352 5.721 1.00 41.33 C ATOM 1182 CD2 PHE A 77 5.734 7.343 6.657 1.00 71.25 C ATOM 1183 CE1 PHE A 77 4.796 4.768 6.970 1.00 72.30 C ATOM 1184 CE2 PHE A 77 5.726 6.761 7.910 1.00 22.13 C ATOM 1185 CZ PHE A 77 5.256 5.472 8.067 1.00 3.13 C ATOM 0 H PHE A 77 4.933 8.485 2.023 1.00 41.15 H new ATOM 0 HA PHE A 77 3.263 6.761 3.621 1.00 43.32 H new ATOM 0 HB2 PHE A 77 5.754 6.595 3.473 1.00 34.21 H new ATOM 0 HB3 PHE A 77 5.900 8.179 4.208 1.00 34.21 H new ATOM 0 HD1 PHE A 77 4.445 4.795 4.869 1.00 41.33 H new ATOM 0 HD2 PHE A 77 6.102 8.351 6.540 1.00 71.25 H new ATOM 0 HE1 PHE A 77 4.428 3.760 7.091 1.00 72.30 H new ATOM 0 HE2 PHE A 77 6.087 7.313 8.765 1.00 22.13 H new ATOM 0 HZ PHE A 77 5.248 5.015 9.045 1.00 3.13 H new ATOM 1195 N LEU A 78 2.036 8.309 5.109 1.00 73.03 N ATOM 1196 CA LEU A 78 1.303 9.177 6.040 1.00 33.11 C ATOM 1197 C LEU A 78 1.775 8.975 7.487 1.00 3.52 C ATOM 1198 O LEU A 78 2.177 9.923 8.166 1.00 1.42 O ATOM 1199 CB LEU A 78 -0.206 8.900 5.946 1.00 21.02 C ATOM 1200 CG LEU A 78 -0.824 9.076 4.549 1.00 43.44 C ATOM 1201 CD1 LEU A 78 -2.320 8.762 4.570 1.00 54.01 C ATOM 1202 CD2 LEU A 78 -0.580 10.490 4.032 1.00 52.20 C ATOM 0 H LEU A 78 1.568 7.427 4.900 1.00 73.03 H new ATOM 0 HA LEU A 78 1.504 10.210 5.757 1.00 33.11 H new ATOM 0 HB2 LEU A 78 -0.392 7.880 6.281 1.00 21.02 H new ATOM 0 HB3 LEU A 78 -0.724 9.563 6.640 1.00 21.02 H new ATOM 0 HG LEU A 78 -0.341 8.371 3.872 1.00 43.44 H new ATOM 0 HD11 LEU A 78 -2.734 8.894 3.570 1.00 54.01 H new ATOM 0 HD12 LEU A 78 -2.471 7.732 4.892 1.00 54.01 H new ATOM 0 HD13 LEU A 78 -2.824 9.436 5.263 1.00 54.01 H new ATOM 0 HD21 LEU A 78 -1.024 10.597 3.042 1.00 52.20 H new ATOM 0 HD22 LEU A 78 -1.034 11.210 4.713 1.00 52.20 H new ATOM 0 HD23 LEU A 78 0.492 10.675 3.971 1.00 52.20 H new ATOM 1214 N GLY A 79 1.711 7.731 7.949 1.00 3.31 N ATOM 1215 CA GLY A 79 2.078 7.409 9.324 1.00 12.23 C ATOM 1216 C GLY A 79 1.331 6.183 9.842 1.00 73.24 C ATOM 1217 O GLY A 79 0.902 5.346 9.051 1.00 42.45 O ATOM 0 H GLY A 79 1.409 6.931 7.393 1.00 3.31 H new ATOM 0 HA2 GLY A 79 3.152 7.230 9.380 1.00 12.23 H new ATOM 0 HA3 GLY A 79 1.863 8.263 9.966 1.00 12.23 H new ATOM 1221 N PRO A 80 1.167 6.041 11.169 1.00 62.20 N ATOM 1222 CA PRO A 80 0.419 4.919 11.762 1.00 61.11 C ATOM 1223 C PRO A 80 -1.105 5.157 11.798 1.00 72.24 C ATOM 1224 O PRO A 80 -1.595 6.211 11.386 1.00 14.33 O ATOM 1225 CB PRO A 80 0.992 4.861 13.179 1.00 32.52 C ATOM 1226 CG PRO A 80 1.311 6.283 13.508 1.00 44.44 C ATOM 1227 CD PRO A 80 1.708 6.945 12.204 1.00 13.31 C ATOM 0 HA PRO A 80 0.529 3.999 11.188 1.00 61.11 H new ATOM 0 HB2 PRO A 80 0.272 4.442 13.882 1.00 32.52 H new ATOM 0 HB3 PRO A 80 1.882 4.234 13.223 1.00 32.52 H new ATOM 0 HG2 PRO A 80 0.449 6.782 13.950 1.00 44.44 H new ATOM 0 HG3 PRO A 80 2.121 6.341 14.235 1.00 44.44 H new ATOM 0 HD2 PRO A 80 1.287 7.947 12.120 1.00 13.31 H new ATOM 0 HD3 PRO A 80 2.790 7.046 12.120 1.00 13.31 H new ATOM 1235 N LEU A 81 -1.850 4.170 12.296 1.00 4.35 N ATOM 1236 CA LEU A 81 -3.314 4.270 12.400 1.00 23.41 C ATOM 1237 C LEU A 81 -3.741 5.172 13.569 1.00 2.23 C ATOM 1238 O LEU A 81 -3.096 5.192 14.618 1.00 64.53 O ATOM 1239 CB LEU A 81 -3.919 2.870 12.578 1.00 73.33 C ATOM 1240 CG LEU A 81 -3.695 1.902 11.402 1.00 2.21 C ATOM 1241 CD1 LEU A 81 -4.183 0.498 11.757 1.00 23.23 C ATOM 1242 CD2 LEU A 81 -4.402 2.415 10.146 1.00 23.22 C ATOM 0 H LEU A 81 -1.467 3.288 12.636 1.00 4.35 H new ATOM 0 HA LEU A 81 -3.684 4.719 11.478 1.00 23.41 H new ATOM 0 HB2 LEU A 81 -3.500 2.423 13.480 1.00 73.33 H new ATOM 0 HB3 LEU A 81 -4.992 2.974 12.742 1.00 73.33 H new ATOM 0 HG LEU A 81 -2.625 1.850 11.200 1.00 2.21 H new ATOM 0 HD11 LEU A 81 -4.015 -0.170 10.912 1.00 23.23 H new ATOM 0 HD12 LEU A 81 -3.635 0.131 12.624 1.00 23.23 H new ATOM 0 HD13 LEU A 81 -5.248 0.530 11.988 1.00 23.23 H new ATOM 0 HD21 LEU A 81 -4.234 1.719 9.324 1.00 23.22 H new ATOM 0 HD22 LEU A 81 -5.472 2.497 10.339 1.00 23.22 H new ATOM 0 HD23 LEU A 81 -4.005 3.394 9.879 1.00 23.22 H new