USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 ASN : amide:sc= 1.93 K(o=2.8,f=-4.7!) USER MOD Set 1.2: A 64 THR OG1 : rot -68:sc= 0.916 USER MOD Set 2.1: A 50 CYS SG : rot 180:sc= 0.763 USER MOD Set 2.2: A 52 GLN : amide:sc= 0.889 K(o=1.7,f=0.45) USER MOD Single : A 8 GLN : amide:sc= 0.512 K(o=0.51,f=-0.29) USER MOD Single : A 9 TYR OH : rot -118:sc= 0.546 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 K(o=0,f=-0.52) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -167:sc= -0.12 (180deg=-0.432) USER MOD Single : A 66 GLN : amide:sc= 0.0263 K(o=0.026,f=-0.51) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.921 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 6 -2.240 -1.748 11.225 1.00 61.41 N ATOM 67 CA GLY A 6 -1.051 -1.334 10.491 1.00 70.01 C ATOM 68 C GLY A 6 -0.888 0.172 10.310 1.00 61.25 C ATOM 69 O GLY A 6 -1.302 0.966 11.156 1.00 11.33 O ATOM 0 HA2 GLY A 6 -0.172 -1.718 11.009 1.00 70.01 H new ATOM 0 HA3 GLY A 6 -1.071 -1.802 9.507 1.00 70.01 H new ATOM 73 N PHE A 7 -0.262 0.553 9.199 1.00 42.34 N ATOM 74 CA PHE A 7 0.054 1.958 8.909 1.00 4.13 C ATOM 75 C PHE A 7 -0.759 2.478 7.716 1.00 11.45 C ATOM 76 O PHE A 7 -1.316 1.697 6.939 1.00 12.13 O ATOM 77 CB PHE A 7 1.558 2.107 8.631 1.00 62.22 C ATOM 78 CG PHE A 7 2.430 1.720 9.801 1.00 62.21 C ATOM 79 CD1 PHE A 7 2.617 0.386 10.139 1.00 3.44 C ATOM 80 CD2 PHE A 7 3.055 2.691 10.570 1.00 52.13 C ATOM 81 CE1 PHE A 7 3.409 0.031 11.214 1.00 12.10 C ATOM 82 CE2 PHE A 7 3.848 2.340 11.647 1.00 61.21 C ATOM 83 CZ PHE A 7 4.025 1.011 11.969 1.00 2.01 C ATOM 0 H PHE A 7 0.041 -0.097 8.474 1.00 42.34 H new ATOM 0 HA PHE A 7 -0.214 2.555 9.781 1.00 4.13 H new ATOM 0 HB2 PHE A 7 1.823 1.491 7.772 1.00 62.22 H new ATOM 0 HB3 PHE A 7 1.768 3.141 8.359 1.00 62.22 H new ATOM 0 HD1 PHE A 7 2.137 -0.384 9.554 1.00 3.44 H new ATOM 0 HD2 PHE A 7 2.920 3.734 10.324 1.00 52.13 H new ATOM 0 HE1 PHE A 7 3.546 -1.011 11.464 1.00 12.10 H new ATOM 0 HE2 PHE A 7 4.329 3.107 12.236 1.00 61.21 H new ATOM 0 HZ PHE A 7 4.644 0.736 12.810 1.00 2.01 H new ATOM 93 N GLN A 8 -0.819 3.801 7.572 1.00 12.43 N ATOM 94 CA GLN A 8 -1.607 4.437 6.510 1.00 54.54 C ATOM 95 C GLN A 8 -0.720 5.045 5.411 1.00 33.12 C ATOM 96 O GLN A 8 0.182 5.845 5.681 1.00 2.31 O ATOM 97 CB GLN A 8 -2.534 5.514 7.106 1.00 41.33 C ATOM 98 CG GLN A 8 -3.931 5.004 7.439 1.00 54.50 C ATOM 99 CD GLN A 8 -4.856 6.099 7.948 1.00 71.13 C ATOM 100 OE1 GLN A 8 -4.427 7.038 8.609 1.00 32.53 O ATOM 101 NE2 GLN A 8 -6.129 6.006 7.618 1.00 72.23 N ATOM 0 H GLN A 8 -0.330 4.459 8.179 1.00 12.43 H new ATOM 0 HA GLN A 8 -2.211 3.658 6.044 1.00 54.54 H new ATOM 0 HB2 GLN A 8 -2.077 5.913 8.012 1.00 41.33 H new ATOM 0 HB3 GLN A 8 -2.617 6.340 6.400 1.00 41.33 H new ATOM 0 HG2 GLN A 8 -4.368 4.551 6.549 1.00 54.50 H new ATOM 0 HG3 GLN A 8 -3.856 4.220 8.192 1.00 54.50 H new ATOM 0 HE21 GLN A 8 -6.456 5.213 7.067 1.00 72.23 H new ATOM 0 HE22 GLN A 8 -6.787 6.728 7.914 1.00 72.23 H new ATOM 110 N TYR A 9 -0.995 4.649 4.169 1.00 11.54 N ATOM 111 CA TYR A 9 -0.298 5.175 2.989 1.00 23.43 C ATOM 112 C TYR A 9 -1.294 5.899 2.062 1.00 24.23 C ATOM 113 O TYR A 9 -2.507 5.803 2.253 1.00 44.13 O ATOM 114 CB TYR A 9 0.389 4.030 2.230 1.00 22.45 C ATOM 115 CG TYR A 9 1.268 3.149 3.105 1.00 42.34 C ATOM 116 CD1 TYR A 9 0.718 2.102 3.837 1.00 61.12 C ATOM 117 CD2 TYR A 9 2.642 3.357 3.196 1.00 73.30 C ATOM 118 CE1 TYR A 9 1.506 1.290 4.628 1.00 44.32 C ATOM 119 CE2 TYR A 9 3.437 2.545 3.989 1.00 54.04 C ATOM 120 CZ TYR A 9 2.863 1.514 4.703 1.00 62.12 C ATOM 121 OH TYR A 9 3.643 0.691 5.485 1.00 74.22 O ATOM 0 H TYR A 9 -1.708 3.953 3.949 1.00 11.54 H new ATOM 0 HA TYR A 9 0.459 5.887 3.317 1.00 23.43 H new ATOM 0 HB2 TYR A 9 -0.374 3.411 1.759 1.00 22.45 H new ATOM 0 HB3 TYR A 9 0.997 4.451 1.429 1.00 22.45 H new ATOM 0 HD1 TYR A 9 -0.345 1.921 3.786 1.00 61.12 H new ATOM 0 HD2 TYR A 9 3.095 4.164 2.640 1.00 73.30 H new ATOM 0 HE1 TYR A 9 1.059 0.481 5.187 1.00 44.32 H new ATOM 0 HE2 TYR A 9 4.501 2.719 4.048 1.00 54.04 H new ATOM 0 HH TYR A 9 4.061 1.217 6.198 1.00 74.22 H new ATOM 131 N ARG A 10 -0.791 6.612 1.058 1.00 54.05 N ATOM 132 CA ARG A 10 -1.658 7.388 0.156 1.00 21.11 C ATOM 133 C ARG A 10 -1.251 7.219 -1.318 1.00 44.22 C ATOM 134 O ARG A 10 -0.104 7.469 -1.690 1.00 35.42 O ATOM 135 CB ARG A 10 -1.616 8.869 0.559 1.00 10.41 C ATOM 136 CG ARG A 10 -2.461 9.791 -0.313 1.00 32.44 C ATOM 137 CD ARG A 10 -2.449 11.226 0.210 1.00 61.02 C ATOM 138 NE ARG A 10 -3.235 12.123 -0.636 1.00 4.31 N ATOM 139 CZ ARG A 10 -4.420 12.582 -0.325 1.00 3.24 C ATOM 140 NH1 ARG A 10 -4.968 12.296 0.813 1.00 75.30 N ATOM 141 NH2 ARG A 10 -5.044 13.356 -1.148 1.00 75.24 N ATOM 0 H ARG A 10 0.204 6.673 0.844 1.00 54.05 H new ATOM 0 HA ARG A 10 -2.676 7.009 0.252 1.00 21.11 H new ATOM 0 HB2 ARG A 10 -1.952 8.960 1.592 1.00 10.41 H new ATOM 0 HB3 ARG A 10 -0.581 9.210 0.529 1.00 10.41 H new ATOM 0 HG2 ARG A 10 -2.084 9.773 -1.335 1.00 32.44 H new ATOM 0 HG3 ARG A 10 -3.487 9.423 -0.345 1.00 32.44 H new ATOM 0 HD2 ARG A 10 -2.845 11.245 1.225 1.00 61.02 H new ATOM 0 HD3 ARG A 10 -1.421 11.585 0.262 1.00 61.02 H new ATOM 0 HE ARG A 10 -2.833 12.410 -1.528 1.00 4.31 H new ATOM 0 HH11 ARG A 10 -4.475 11.705 1.482 1.00 75.30 H new ATOM 0 HH12 ARG A 10 -5.893 12.662 1.040 1.00 75.30 H new ATOM 0 HH21 ARG A 10 -4.613 13.608 -2.038 1.00 75.24 H new ATOM 0 HH22 ARG A 10 -5.968 13.716 -0.909 1.00 75.24 H new ATOM 155 N ALA A 11 -2.203 6.796 -2.153 1.00 73.42 N ATOM 156 CA ALA A 11 -1.965 6.614 -3.589 1.00 43.32 C ATOM 157 C ALA A 11 -2.019 7.953 -4.340 1.00 63.11 C ATOM 158 O ALA A 11 -2.976 8.717 -4.201 1.00 23.34 O ATOM 159 CB ALA A 11 -2.979 5.637 -4.170 1.00 11.01 C ATOM 0 H ALA A 11 -3.153 6.571 -1.857 1.00 73.42 H new ATOM 0 HA ALA A 11 -0.963 6.203 -3.715 1.00 43.32 H new ATOM 0 HB1 ALA A 11 -2.792 5.510 -5.236 1.00 11.01 H new ATOM 0 HB2 ALA A 11 -2.885 4.674 -3.668 1.00 11.01 H new ATOM 0 HB3 ALA A 11 -3.986 6.027 -4.022 1.00 11.01 H new ATOM 165 N LEU A 12 -0.993 8.227 -5.141 1.00 32.05 N ATOM 166 CA LEU A 12 -0.883 9.505 -5.853 1.00 24.03 C ATOM 167 C LEU A 12 -1.722 9.530 -7.148 1.00 21.42 C ATOM 168 O LEU A 12 -2.484 10.468 -7.385 1.00 14.14 O ATOM 169 CB LEU A 12 0.587 9.796 -6.179 1.00 14.53 C ATOM 170 CG LEU A 12 1.543 9.792 -4.972 1.00 10.33 C ATOM 171 CD1 LEU A 12 2.965 10.144 -5.406 1.00 53.12 C ATOM 172 CD2 LEU A 12 1.049 10.752 -3.891 1.00 53.05 C ATOM 0 H LEU A 12 -0.222 7.582 -5.316 1.00 32.05 H new ATOM 0 HA LEU A 12 -1.278 10.278 -5.194 1.00 24.03 H new ATOM 0 HB2 LEU A 12 0.935 9.056 -6.900 1.00 14.53 H new ATOM 0 HB3 LEU A 12 0.648 10.769 -6.666 1.00 14.53 H new ATOM 0 HG LEU A 12 1.559 8.787 -4.551 1.00 10.33 H new ATOM 0 HD11 LEU A 12 3.623 10.135 -4.537 1.00 53.12 H new ATOM 0 HD12 LEU A 12 3.315 9.412 -6.134 1.00 53.12 H new ATOM 0 HD13 LEU A 12 2.973 11.136 -5.857 1.00 53.12 H new ATOM 0 HD21 LEU A 12 1.738 10.735 -3.047 1.00 53.05 H new ATOM 0 HD22 LEU A 12 0.998 11.762 -4.297 1.00 53.05 H new ATOM 0 HD23 LEU A 12 0.058 10.445 -3.557 1.00 53.05 H new ATOM 184 N TYR A 13 -1.576 8.499 -7.980 1.00 15.11 N ATOM 185 CA TYR A 13 -2.265 8.440 -9.284 1.00 11.43 C ATOM 186 C TYR A 13 -3.096 7.147 -9.419 1.00 3.22 C ATOM 187 O TYR A 13 -2.916 6.205 -8.646 1.00 54.24 O ATOM 188 CB TYR A 13 -1.236 8.513 -10.427 1.00 31.54 C ATOM 189 CG TYR A 13 -0.262 9.671 -10.317 1.00 51.41 C ATOM 190 CD1 TYR A 13 -0.667 10.979 -10.562 1.00 50.31 C ATOM 191 CD2 TYR A 13 1.067 9.451 -9.969 1.00 73.14 C ATOM 192 CE1 TYR A 13 0.224 12.032 -10.466 1.00 35.12 C ATOM 193 CE2 TYR A 13 1.961 10.498 -9.871 1.00 42.00 C ATOM 194 CZ TYR A 13 1.535 11.786 -10.118 1.00 11.55 C ATOM 195 OH TYR A 13 2.429 12.830 -10.026 1.00 0.34 O ATOM 0 H TYR A 13 -0.988 7.690 -7.781 1.00 15.11 H new ATOM 0 HA TYR A 13 -2.942 9.292 -9.345 1.00 11.43 H new ATOM 0 HB2 TYR A 13 -0.672 7.580 -10.453 1.00 31.54 H new ATOM 0 HB3 TYR A 13 -1.768 8.590 -11.375 1.00 31.54 H new ATOM 0 HD1 TYR A 13 -1.694 11.175 -10.832 1.00 50.31 H new ATOM 0 HD2 TYR A 13 1.405 8.444 -9.772 1.00 73.14 H new ATOM 0 HE1 TYR A 13 -0.105 13.042 -10.663 1.00 35.12 H new ATOM 0 HE2 TYR A 13 2.990 10.309 -9.602 1.00 42.00 H new ATOM 0 HH TYR A 13 3.310 12.485 -9.770 1.00 0.34 H new ATOM 205 N PRO A 14 -4.027 7.085 -10.395 1.00 61.22 N ATOM 206 CA PRO A 14 -4.793 5.857 -10.675 1.00 62.11 C ATOM 207 C PRO A 14 -3.965 4.772 -11.399 1.00 63.12 C ATOM 208 O PRO A 14 -3.464 4.984 -12.510 1.00 52.12 O ATOM 209 CB PRO A 14 -5.939 6.354 -11.566 1.00 71.14 C ATOM 210 CG PRO A 14 -5.385 7.553 -12.255 1.00 62.45 C ATOM 211 CD PRO A 14 -4.441 8.201 -11.272 1.00 25.43 C ATOM 0 HA PRO A 14 -5.123 5.371 -9.757 1.00 62.11 H new ATOM 0 HB2 PRO A 14 -6.244 5.591 -12.282 1.00 71.14 H new ATOM 0 HB3 PRO A 14 -6.819 6.607 -10.975 1.00 71.14 H new ATOM 0 HG2 PRO A 14 -4.863 7.271 -13.169 1.00 62.45 H new ATOM 0 HG3 PRO A 14 -6.181 8.240 -12.542 1.00 62.45 H new ATOM 0 HD2 PRO A 14 -3.586 8.652 -11.776 1.00 25.43 H new ATOM 0 HD3 PRO A 14 -4.933 8.993 -10.707 1.00 25.43 H new ATOM 219 N PHE A 15 -3.832 3.606 -10.765 1.00 23.55 N ATOM 220 CA PHE A 15 -3.086 2.478 -11.345 1.00 42.15 C ATOM 221 C PHE A 15 -3.952 1.212 -11.403 1.00 13.51 C ATOM 222 O PHE A 15 -4.745 0.952 -10.498 1.00 41.41 O ATOM 223 CB PHE A 15 -1.811 2.199 -10.532 1.00 70.31 C ATOM 224 CG PHE A 15 -0.836 3.350 -10.527 1.00 5.11 C ATOM 225 CD1 PHE A 15 0.050 3.531 -11.579 1.00 65.14 C ATOM 226 CD2 PHE A 15 -0.816 4.257 -9.479 1.00 65.31 C ATOM 227 CE1 PHE A 15 0.934 4.590 -11.584 1.00 74.25 C ATOM 228 CE2 PHE A 15 0.066 5.320 -9.482 1.00 3.33 C ATOM 229 CZ PHE A 15 0.940 5.488 -10.536 1.00 61.15 C ATOM 0 H PHE A 15 -4.231 3.414 -9.846 1.00 23.55 H new ATOM 0 HA PHE A 15 -2.808 2.753 -12.362 1.00 42.15 H new ATOM 0 HB2 PHE A 15 -2.089 1.964 -9.504 1.00 70.31 H new ATOM 0 HB3 PHE A 15 -1.317 1.316 -10.938 1.00 70.31 H new ATOM 0 HD1 PHE A 15 0.048 2.834 -12.404 1.00 65.14 H new ATOM 0 HD2 PHE A 15 -1.498 4.131 -8.651 1.00 65.31 H new ATOM 0 HE1 PHE A 15 1.621 4.716 -12.408 1.00 74.25 H new ATOM 0 HE2 PHE A 15 0.071 6.020 -8.659 1.00 3.33 H new ATOM 0 HZ PHE A 15 1.628 6.321 -10.541 1.00 61.15 H new ATOM 367 N LEU A 23 -5.310 -5.167 -6.597 1.00 10.53 N ATOM 368 CA LEU A 23 -6.138 -4.077 -6.067 1.00 34.21 C ATOM 369 C LEU A 23 -5.795 -2.741 -6.752 1.00 11.02 C ATOM 370 O LEU A 23 -4.656 -2.271 -6.684 1.00 72.34 O ATOM 371 CB LEU A 23 -5.925 -3.959 -4.550 1.00 62.22 C ATOM 372 CG LEU A 23 -6.767 -2.889 -3.833 1.00 70.32 C ATOM 373 CD1 LEU A 23 -8.260 -3.189 -3.965 1.00 21.33 C ATOM 374 CD2 LEU A 23 -6.360 -2.785 -2.363 1.00 11.53 C ATOM 0 HA LEU A 23 -7.184 -4.305 -6.272 1.00 34.21 H new ATOM 0 HB2 LEU A 23 -6.140 -4.927 -4.096 1.00 62.22 H new ATOM 0 HB3 LEU A 23 -4.872 -3.748 -4.366 1.00 62.22 H new ATOM 0 HG LEU A 23 -6.576 -1.928 -4.311 1.00 70.32 H new ATOM 0 HD11 LEU A 23 -8.833 -2.418 -3.450 1.00 21.33 H new ATOM 0 HD12 LEU A 23 -8.536 -3.203 -5.019 1.00 21.33 H new ATOM 0 HD13 LEU A 23 -8.477 -4.160 -3.520 1.00 21.33 H new ATOM 0 HD21 LEU A 23 -6.965 -2.024 -1.871 1.00 11.53 H new ATOM 0 HD22 LEU A 23 -6.517 -3.746 -1.873 1.00 11.53 H new ATOM 0 HD23 LEU A 23 -5.307 -2.511 -2.295 1.00 11.53 H new ATOM 386 N GLU A 24 -6.784 -2.135 -7.406 1.00 13.34 N ATOM 387 CA GLU A 24 -6.592 -0.860 -8.112 1.00 61.03 C ATOM 388 C GLU A 24 -6.244 0.305 -7.167 1.00 25.52 C ATOM 389 O GLU A 24 -6.590 0.304 -5.983 1.00 32.33 O ATOM 390 CB GLU A 24 -7.850 -0.497 -8.924 1.00 40.11 C ATOM 391 CG GLU A 24 -7.761 -0.833 -10.409 1.00 11.21 C ATOM 392 CD GLU A 24 -7.699 -2.326 -10.697 1.00 71.42 C ATOM 393 OE1 GLU A 24 -8.777 -2.949 -10.814 1.00 1.53 O ATOM 394 OE2 GLU A 24 -6.584 -2.865 -10.851 1.00 71.50 O ATOM 0 H GLU A 24 -7.733 -2.505 -7.464 1.00 13.34 H new ATOM 0 HA GLU A 24 -5.743 -1.007 -8.779 1.00 61.03 H new ATOM 0 HB2 GLU A 24 -8.706 -1.019 -8.497 1.00 40.11 H new ATOM 0 HB3 GLU A 24 -8.041 0.571 -8.816 1.00 40.11 H new ATOM 0 HG2 GLU A 24 -8.625 -0.409 -10.921 1.00 11.21 H new ATOM 0 HG3 GLU A 24 -6.876 -0.354 -10.828 1.00 11.21 H new ATOM 401 N LEU A 25 -5.563 1.304 -7.725 1.00 3.23 N ATOM 402 CA LEU A 25 -5.238 2.539 -7.005 1.00 1.31 C ATOM 403 C LEU A 25 -5.930 3.744 -7.660 1.00 63.31 C ATOM 404 O LEU A 25 -6.004 3.833 -8.885 1.00 12.23 O ATOM 405 CB LEU A 25 -3.718 2.770 -6.995 1.00 34.55 C ATOM 406 CG LEU A 25 -2.891 1.709 -6.250 1.00 21.03 C ATOM 407 CD1 LEU A 25 -1.399 2.028 -6.336 1.00 21.13 C ATOM 408 CD2 LEU A 25 -3.339 1.607 -4.793 1.00 34.53 C ATOM 0 H LEU A 25 -5.221 1.283 -8.686 1.00 3.23 H new ATOM 0 HA LEU A 25 -5.594 2.435 -5.980 1.00 1.31 H new ATOM 0 HB2 LEU A 25 -3.369 2.819 -8.026 1.00 34.55 H new ATOM 0 HB3 LEU A 25 -3.519 3.742 -6.545 1.00 34.55 H new ATOM 0 HG LEU A 25 -3.059 0.744 -6.729 1.00 21.03 H new ATOM 0 HD11 LEU A 25 -0.832 1.265 -5.802 1.00 21.13 H new ATOM 0 HD12 LEU A 25 -1.090 2.045 -7.381 1.00 21.13 H new ATOM 0 HD13 LEU A 25 -1.209 3.002 -5.886 1.00 21.13 H new ATOM 0 HD21 LEU A 25 -2.743 0.851 -4.281 1.00 34.53 H new ATOM 0 HD22 LEU A 25 -3.203 2.571 -4.302 1.00 34.53 H new ATOM 0 HD23 LEU A 25 -4.391 1.326 -4.755 1.00 34.53 H new ATOM 420 N LEU A 26 -6.455 4.651 -6.840 1.00 61.21 N ATOM 421 CA LEU A 26 -7.049 5.906 -7.327 1.00 4.41 C ATOM 422 C LEU A 26 -6.328 7.122 -6.711 1.00 44.55 C ATOM 423 O LEU A 26 -5.739 7.025 -5.631 1.00 4.54 O ATOM 424 CB LEU A 26 -8.557 5.964 -7.007 1.00 21.41 C ATOM 425 CG LEU A 26 -9.485 5.107 -7.893 1.00 43.03 C ATOM 426 CD1 LEU A 26 -9.310 5.467 -9.367 1.00 71.14 C ATOM 427 CD2 LEU A 26 -9.258 3.612 -7.667 1.00 53.41 C ATOM 0 H LEU A 26 -6.484 4.544 -5.826 1.00 61.21 H new ATOM 0 HA LEU A 26 -6.926 5.937 -8.410 1.00 4.41 H new ATOM 0 HB2 LEU A 26 -8.697 5.657 -5.970 1.00 21.41 H new ATOM 0 HB3 LEU A 26 -8.881 7.002 -7.079 1.00 21.41 H new ATOM 0 HG LEU A 26 -10.512 5.329 -7.604 1.00 43.03 H new ATOM 0 HD11 LEU A 26 -9.974 4.851 -9.973 1.00 71.14 H new ATOM 0 HD12 LEU A 26 -9.554 6.519 -9.516 1.00 71.14 H new ATOM 0 HD13 LEU A 26 -8.277 5.289 -9.665 1.00 71.14 H new ATOM 0 HD21 LEU A 26 -9.929 3.041 -8.308 1.00 53.41 H new ATOM 0 HD22 LEU A 26 -8.225 3.360 -7.908 1.00 53.41 H new ATOM 0 HD23 LEU A 26 -9.457 3.367 -6.624 1.00 53.41 H new ATOM 439 N PRO A 27 -6.361 8.292 -7.388 1.00 24.22 N ATOM 440 CA PRO A 27 -5.660 9.499 -6.914 1.00 3.32 C ATOM 441 C PRO A 27 -6.255 10.063 -5.612 1.00 41.22 C ATOM 442 O PRO A 27 -7.405 10.509 -5.577 1.00 60.31 O ATOM 443 CB PRO A 27 -5.833 10.491 -8.074 1.00 73.05 C ATOM 444 CG PRO A 27 -7.065 10.037 -8.781 1.00 3.34 C ATOM 445 CD PRO A 27 -7.085 8.537 -8.653 1.00 45.21 C ATOM 0 HA PRO A 27 -4.619 9.292 -6.668 1.00 3.32 H new ATOM 0 HB2 PRO A 27 -5.940 11.512 -7.709 1.00 73.05 H new ATOM 0 HB3 PRO A 27 -4.968 10.479 -8.738 1.00 73.05 H new ATOM 0 HG2 PRO A 27 -7.956 10.479 -8.336 1.00 3.34 H new ATOM 0 HG3 PRO A 27 -7.048 10.340 -9.828 1.00 3.34 H new ATOM 0 HD2 PRO A 27 -8.103 8.150 -8.615 1.00 45.21 H new ATOM 0 HD3 PRO A 27 -6.593 8.055 -9.498 1.00 45.21 H new ATOM 453 N GLY A 28 -5.464 10.042 -4.542 1.00 24.14 N ATOM 454 CA GLY A 28 -5.914 10.561 -3.254 1.00 23.14 C ATOM 455 C GLY A 28 -6.581 9.506 -2.375 1.00 14.40 C ATOM 456 O GLY A 28 -7.367 9.835 -1.482 1.00 72.34 O ATOM 0 H GLY A 28 -4.513 9.673 -4.541 1.00 24.14 H new ATOM 0 HA2 GLY A 28 -5.060 10.980 -2.721 1.00 23.14 H new ATOM 0 HA3 GLY A 28 -6.616 11.378 -3.425 1.00 23.14 H new ATOM 460 N ASP A 29 -6.283 8.236 -2.636 1.00 32.12 N ATOM 461 CA ASP A 29 -6.808 7.131 -1.826 1.00 23.14 C ATOM 462 C ASP A 29 -5.886 6.802 -0.646 1.00 10.44 C ATOM 463 O ASP A 29 -4.663 6.747 -0.792 1.00 2.34 O ATOM 464 CB ASP A 29 -6.999 5.881 -2.694 1.00 61.12 C ATOM 465 CG ASP A 29 -8.241 5.948 -3.559 1.00 70.22 C ATOM 466 OD1 ASP A 29 -8.721 7.068 -3.847 1.00 60.15 O ATOM 467 OD2 ASP A 29 -8.753 4.875 -3.941 1.00 31.45 O ATOM 0 H ASP A 29 -5.679 7.942 -3.404 1.00 32.12 H new ATOM 0 HA ASP A 29 -7.770 7.450 -1.424 1.00 23.14 H new ATOM 0 HB2 ASP A 29 -6.125 5.751 -3.332 1.00 61.12 H new ATOM 0 HB3 ASP A 29 -7.058 5.003 -2.050 1.00 61.12 H new ATOM 472 N VAL A 30 -6.481 6.590 0.524 1.00 52.54 N ATOM 473 CA VAL A 30 -5.738 6.150 1.709 1.00 11.13 C ATOM 474 C VAL A 30 -5.804 4.618 1.850 1.00 61.20 C ATOM 475 O VAL A 30 -6.887 4.029 1.855 1.00 11.53 O ATOM 476 CB VAL A 30 -6.293 6.810 2.999 1.00 0.23 C ATOM 477 CG1 VAL A 30 -5.473 6.391 4.220 1.00 64.13 C ATOM 478 CG2 VAL A 30 -6.323 8.334 2.859 1.00 71.12 C ATOM 0 H VAL A 30 -7.481 6.716 0.681 1.00 52.54 H new ATOM 0 HA VAL A 30 -4.701 6.458 1.578 1.00 11.13 H new ATOM 0 HB VAL A 30 -7.316 6.463 3.145 1.00 0.23 H new ATOM 0 HG11 VAL A 30 -5.881 6.866 5.112 1.00 64.13 H new ATOM 0 HG12 VAL A 30 -5.517 5.308 4.333 1.00 64.13 H new ATOM 0 HG13 VAL A 30 -4.436 6.700 4.086 1.00 64.13 H new ATOM 0 HG21 VAL A 30 -6.716 8.776 3.775 1.00 71.12 H new ATOM 0 HG22 VAL A 30 -5.313 8.703 2.682 1.00 71.12 H new ATOM 0 HG23 VAL A 30 -6.962 8.610 2.020 1.00 71.12 H new ATOM 488 N LEU A 31 -4.641 3.972 1.942 1.00 54.34 N ATOM 489 CA LEU A 31 -4.578 2.511 2.068 1.00 13.42 C ATOM 490 C LEU A 31 -3.858 2.086 3.354 1.00 21.32 C ATOM 491 O LEU A 31 -2.736 2.513 3.622 1.00 42.55 O ATOM 492 CB LEU A 31 -3.880 1.876 0.852 1.00 52.14 C ATOM 493 CG LEU A 31 -4.586 2.067 -0.507 1.00 24.41 C ATOM 494 CD1 LEU A 31 -4.302 3.449 -1.097 1.00 4.53 C ATOM 495 CD2 LEU A 31 -4.181 0.961 -1.481 1.00 74.14 C ATOM 0 H LEU A 31 -3.731 4.433 1.932 1.00 54.34 H new ATOM 0 HA LEU A 31 -5.607 2.154 2.112 1.00 13.42 H new ATOM 0 HB2 LEU A 31 -2.874 2.289 0.778 1.00 52.14 H new ATOM 0 HB3 LEU A 31 -3.773 0.807 1.037 1.00 52.14 H new ATOM 0 HG LEU A 31 -5.661 2.000 -0.338 1.00 24.41 H new ATOM 0 HD11 LEU A 31 -4.815 3.549 -2.054 1.00 4.53 H new ATOM 0 HD12 LEU A 31 -4.660 4.218 -0.412 1.00 4.53 H new ATOM 0 HD13 LEU A 31 -3.229 3.567 -1.247 1.00 4.53 H new ATOM 0 HD21 LEU A 31 -4.688 1.112 -2.434 1.00 74.14 H new ATOM 0 HD22 LEU A 31 -3.102 0.989 -1.636 1.00 74.14 H new ATOM 0 HD23 LEU A 31 -4.463 -0.008 -1.069 1.00 74.14 H new ATOM 507 N VAL A 32 -4.507 1.229 4.139 1.00 53.21 N ATOM 508 CA VAL A 32 -3.925 0.728 5.388 1.00 21.42 C ATOM 509 C VAL A 32 -3.292 -0.658 5.192 1.00 25.14 C ATOM 510 O VAL A 32 -3.965 -1.599 4.774 1.00 12.12 O ATOM 511 CB VAL A 32 -4.988 0.634 6.509 1.00 12.24 C ATOM 512 CG1 VAL A 32 -4.343 0.225 7.834 1.00 0.22 C ATOM 513 CG2 VAL A 32 -5.747 1.952 6.653 1.00 2.23 C ATOM 0 H VAL A 32 -5.438 0.865 3.934 1.00 53.21 H new ATOM 0 HA VAL A 32 -3.154 1.441 5.681 1.00 21.42 H new ATOM 0 HB VAL A 32 -5.707 -0.137 6.231 1.00 12.24 H new ATOM 0 HG11 VAL A 32 -5.108 0.165 8.608 1.00 0.22 H new ATOM 0 HG12 VAL A 32 -3.864 -0.748 7.721 1.00 0.22 H new ATOM 0 HG13 VAL A 32 -3.596 0.966 8.119 1.00 0.22 H new ATOM 0 HG21 VAL A 32 -6.488 1.860 7.447 1.00 2.23 H new ATOM 0 HG22 VAL A 32 -5.047 2.750 6.901 1.00 2.23 H new ATOM 0 HG23 VAL A 32 -6.248 2.188 5.714 1.00 2.23 H new ATOM 523 N VAL A 33 -2.002 -0.780 5.494 1.00 34.41 N ATOM 524 CA VAL A 33 -1.305 -2.073 5.414 1.00 43.12 C ATOM 525 C VAL A 33 -0.967 -2.597 6.817 1.00 25.12 C ATOM 526 O VAL A 33 -0.328 -1.904 7.610 1.00 23.22 O ATOM 527 CB VAL A 33 -0.001 -1.971 4.579 1.00 13.21 C ATOM 528 CG1 VAL A 33 0.729 -3.315 4.523 1.00 14.34 C ATOM 529 CG2 VAL A 33 -0.302 -1.462 3.170 1.00 63.22 C ATOM 0 H VAL A 33 -1.414 -0.004 5.797 1.00 34.41 H new ATOM 0 HA VAL A 33 -1.982 -2.769 4.918 1.00 43.12 H new ATOM 0 HB VAL A 33 0.656 -1.255 5.072 1.00 13.21 H new ATOM 0 HG11 VAL A 33 1.638 -3.211 3.931 1.00 14.34 H new ATOM 0 HG12 VAL A 33 0.988 -3.631 5.534 1.00 14.34 H new ATOM 0 HG13 VAL A 33 0.081 -4.062 4.064 1.00 14.34 H new ATOM 0 HG21 VAL A 33 0.625 -1.398 2.601 1.00 63.22 H new ATOM 0 HG22 VAL A 33 -0.986 -2.150 2.673 1.00 63.22 H new ATOM 0 HG23 VAL A 33 -0.760 -0.475 3.230 1.00 63.22 H new ATOM 539 N SER A 34 -1.404 -3.821 7.117 1.00 34.31 N ATOM 540 CA SER A 34 -1.166 -4.438 8.430 1.00 12.32 C ATOM 541 C SER A 34 0.332 -4.574 8.732 1.00 71.33 C ATOM 542 O SER A 34 1.095 -5.094 7.916 1.00 22.43 O ATOM 543 CB SER A 34 -1.841 -5.817 8.507 1.00 62.21 C ATOM 544 OG SER A 34 -3.254 -5.697 8.402 1.00 50.44 O ATOM 0 H SER A 34 -1.927 -4.409 6.468 1.00 34.31 H new ATOM 0 HA SER A 34 -1.603 -3.780 9.181 1.00 12.32 H new ATOM 0 HB2 SER A 34 -1.466 -6.455 7.707 1.00 62.21 H new ATOM 0 HB3 SER A 34 -1.582 -6.301 9.449 1.00 62.21 H new ATOM 0 HG SER A 34 -3.662 -6.586 8.452 1.00 50.44 H new ATOM 550 N ARG A 35 0.750 -4.114 9.913 1.00 4.15 N ATOM 551 CA ARG A 35 2.164 -4.172 10.307 1.00 23.40 C ATOM 552 C ARG A 35 2.698 -5.615 10.270 1.00 5.41 C ATOM 553 O ARG A 35 3.879 -5.841 9.998 1.00 62.22 O ATOM 554 CB ARG A 35 2.366 -3.548 11.698 1.00 50.02 C ATOM 555 CG ARG A 35 1.561 -4.210 12.811 1.00 51.52 C ATOM 556 CD ARG A 35 1.705 -3.465 14.136 1.00 75.51 C ATOM 557 NE ARG A 35 3.082 -3.468 14.636 1.00 21.21 N ATOM 558 CZ ARG A 35 3.474 -2.825 15.707 1.00 43.34 C ATOM 559 NH1 ARG A 35 2.651 -2.067 16.362 1.00 31.33 N ATOM 560 NH2 ARG A 35 4.699 -2.935 16.111 1.00 24.01 N ATOM 0 H ARG A 35 0.135 -3.698 10.612 1.00 4.15 H new ATOM 0 HA ARG A 35 2.736 -3.591 9.584 1.00 23.40 H new ATOM 0 HB2 ARG A 35 3.424 -3.597 11.954 1.00 50.02 H new ATOM 0 HB3 ARG A 35 2.098 -2.493 11.651 1.00 50.02 H new ATOM 0 HG2 ARG A 35 0.509 -4.246 12.527 1.00 51.52 H new ATOM 0 HG3 ARG A 35 1.893 -5.241 12.936 1.00 51.52 H new ATOM 0 HD2 ARG A 35 1.371 -2.435 14.008 1.00 75.51 H new ATOM 0 HD3 ARG A 35 1.051 -3.922 14.879 1.00 75.51 H new ATOM 0 HE ARG A 35 3.778 -4.004 14.118 1.00 21.21 H new ATOM 0 HH11 ARG A 35 1.687 -1.967 16.044 1.00 31.33 H new ATOM 0 HH12 ARG A 35 2.968 -1.571 17.195 1.00 31.33 H new ATOM 0 HH21 ARG A 35 5.355 -3.521 15.595 1.00 24.01 H new ATOM 0 HH22 ARG A 35 5.008 -2.435 16.945 1.00 24.01 H new ATOM 574 N ALA A 36 1.816 -6.587 10.526 1.00 41.40 N ATOM 575 CA ALA A 36 2.158 -8.009 10.391 1.00 35.12 C ATOM 576 C ALA A 36 2.657 -8.334 8.970 1.00 63.31 C ATOM 577 O ALA A 36 3.624 -9.079 8.793 1.00 4.21 O ATOM 578 CB ALA A 36 0.948 -8.870 10.740 1.00 54.23 C ATOM 0 H ALA A 36 0.857 -6.415 10.829 1.00 41.40 H new ATOM 0 HA ALA A 36 2.968 -8.232 11.085 1.00 35.12 H new ATOM 0 HB1 ALA A 36 1.209 -9.923 10.638 1.00 54.23 H new ATOM 0 HB2 ALA A 36 0.643 -8.670 11.767 1.00 54.23 H new ATOM 0 HB3 ALA A 36 0.126 -8.633 10.065 1.00 54.23 H new ATOM 584 N ALA A 37 2.003 -7.751 7.962 1.00 23.20 N ATOM 585 CA ALA A 37 2.397 -7.945 6.559 1.00 34.01 C ATOM 586 C ALA A 37 3.808 -7.394 6.299 1.00 4.34 C ATOM 587 O ALA A 37 4.641 -8.056 5.685 1.00 64.22 O ATOM 588 CB ALA A 37 1.386 -7.286 5.624 1.00 50.32 C ATOM 0 H ALA A 37 1.197 -7.139 8.089 1.00 23.20 H new ATOM 0 HA ALA A 37 2.411 -9.016 6.358 1.00 34.01 H new ATOM 0 HB1 ALA A 37 1.693 -7.439 4.590 1.00 50.32 H new ATOM 0 HB2 ALA A 37 0.403 -7.730 5.780 1.00 50.32 H new ATOM 0 HB3 ALA A 37 1.339 -6.217 5.834 1.00 50.32 H new ATOM 594 N LEU A 38 4.071 -6.179 6.785 1.00 60.12 N ATOM 595 CA LEU A 38 5.404 -5.568 6.690 1.00 30.12 C ATOM 596 C LEU A 38 6.479 -6.509 7.262 1.00 33.31 C ATOM 597 O LEU A 38 7.530 -6.733 6.647 1.00 13.12 O ATOM 598 CB LEU A 38 5.417 -4.231 7.447 1.00 70.03 C ATOM 599 CG LEU A 38 4.468 -3.154 6.893 1.00 22.25 C ATOM 600 CD1 LEU A 38 4.369 -1.973 7.853 1.00 22.44 C ATOM 601 CD2 LEU A 38 4.933 -2.686 5.514 1.00 13.35 C ATOM 0 H LEU A 38 3.377 -5.594 7.251 1.00 60.12 H new ATOM 0 HA LEU A 38 5.630 -5.390 5.639 1.00 30.12 H new ATOM 0 HB2 LEU A 38 5.158 -4.419 8.489 1.00 70.03 H new ATOM 0 HB3 LEU A 38 6.433 -3.837 7.438 1.00 70.03 H new ATOM 0 HG LEU A 38 3.476 -3.595 6.792 1.00 22.25 H new ATOM 0 HD11 LEU A 38 3.693 -1.224 7.440 1.00 22.44 H new ATOM 0 HD12 LEU A 38 3.987 -2.317 8.814 1.00 22.44 H new ATOM 0 HD13 LEU A 38 5.357 -1.533 7.991 1.00 22.44 H new ATOM 0 HD21 LEU A 38 4.249 -1.925 5.139 1.00 13.35 H new ATOM 0 HD22 LEU A 38 5.936 -2.267 5.591 1.00 13.35 H new ATOM 0 HD23 LEU A 38 4.945 -3.533 4.828 1.00 13.35 H new ATOM 613 N GLN A 39 6.190 -7.071 8.437 1.00 54.01 N ATOM 614 CA GLN A 39 7.083 -8.036 9.091 1.00 22.32 C ATOM 615 C GLN A 39 7.325 -9.268 8.204 1.00 20.24 C ATOM 616 O GLN A 39 8.471 -9.649 7.950 1.00 10.12 O ATOM 617 CB GLN A 39 6.487 -8.482 10.435 1.00 72.13 C ATOM 618 CG GLN A 39 6.271 -7.341 11.423 1.00 61.24 C ATOM 619 CD GLN A 39 5.613 -7.796 12.713 1.00 73.24 C ATOM 620 OE1 GLN A 39 5.778 -8.935 13.142 1.00 11.11 O ATOM 621 NE2 GLN A 39 4.871 -6.911 13.345 1.00 13.55 N ATOM 0 H GLN A 39 5.337 -6.874 8.961 1.00 54.01 H new ATOM 0 HA GLN A 39 8.039 -7.541 9.259 1.00 22.32 H new ATOM 0 HB2 GLN A 39 5.533 -8.977 10.252 1.00 72.13 H new ATOM 0 HB3 GLN A 39 7.148 -9.221 10.887 1.00 72.13 H new ATOM 0 HG2 GLN A 39 7.231 -6.880 11.653 1.00 61.24 H new ATOM 0 HG3 GLN A 39 5.653 -6.574 10.956 1.00 61.24 H new ATOM 0 HE21 GLN A 39 4.756 -5.974 12.960 1.00 13.55 H new ATOM 0 HE22 GLN A 39 4.411 -7.163 14.220 1.00 13.55 H new ATOM 630 N ALA A 40 6.238 -9.879 7.735 1.00 4.45 N ATOM 631 CA ALA A 40 6.314 -11.081 6.896 1.00 0.34 C ATOM 632 C ALA A 40 7.071 -10.825 5.579 1.00 74.24 C ATOM 633 O ALA A 40 7.902 -11.634 5.163 1.00 70.32 O ATOM 634 CB ALA A 40 4.912 -11.606 6.603 1.00 2.22 C ATOM 0 H ALA A 40 5.287 -9.561 7.922 1.00 4.45 H new ATOM 0 HA ALA A 40 6.875 -11.831 7.453 1.00 0.34 H new ATOM 0 HB1 ALA A 40 4.980 -12.498 5.980 1.00 2.22 H new ATOM 0 HB2 ALA A 40 4.414 -11.855 7.540 1.00 2.22 H new ATOM 0 HB3 ALA A 40 4.339 -10.841 6.080 1.00 2.22 H new ATOM 640 N LEU A 41 6.774 -9.701 4.923 1.00 34.51 N ATOM 641 CA LEU A 41 7.440 -9.332 3.662 1.00 73.33 C ATOM 642 C LEU A 41 8.949 -9.120 3.859 1.00 65.10 C ATOM 643 O LEU A 41 9.741 -9.340 2.942 1.00 74.12 O ATOM 644 CB LEU A 41 6.812 -8.059 3.076 1.00 5.43 C ATOM 645 CG LEU A 41 5.335 -8.179 2.665 1.00 64.11 C ATOM 646 CD1 LEU A 41 4.793 -6.831 2.197 1.00 70.22 C ATOM 647 CD2 LEU A 41 5.160 -9.236 1.576 1.00 75.31 C ATOM 0 H LEU A 41 6.077 -9.027 5.241 1.00 34.51 H new ATOM 0 HA LEU A 41 7.300 -10.159 2.966 1.00 73.33 H new ATOM 0 HB2 LEU A 41 6.903 -7.259 3.810 1.00 5.43 H new ATOM 0 HB3 LEU A 41 7.391 -7.758 2.203 1.00 5.43 H new ATOM 0 HG LEU A 41 4.764 -8.492 3.539 1.00 64.11 H new ATOM 0 HD11 LEU A 41 3.747 -6.939 1.911 1.00 70.22 H new ATOM 0 HD12 LEU A 41 4.875 -6.105 3.006 1.00 70.22 H new ATOM 0 HD13 LEU A 41 5.370 -6.485 1.339 1.00 70.22 H new ATOM 0 HD21 LEU A 41 4.108 -9.304 1.301 1.00 75.31 H new ATOM 0 HD22 LEU A 41 5.747 -8.957 0.701 1.00 75.31 H new ATOM 0 HD23 LEU A 41 5.501 -10.202 1.949 1.00 75.31 H new ATOM 659 N GLY A 42 9.336 -8.707 5.065 1.00 2.24 N ATOM 660 CA GLY A 42 10.745 -8.470 5.367 1.00 34.12 C ATOM 661 C GLY A 42 11.136 -6.996 5.319 1.00 33.32 C ATOM 662 O GLY A 42 12.306 -6.667 5.123 1.00 33.43 O ATOM 0 H GLY A 42 8.699 -8.531 5.842 1.00 2.24 H new ATOM 0 HA2 GLY A 42 10.968 -8.865 6.358 1.00 34.12 H new ATOM 0 HA3 GLY A 42 11.359 -9.024 4.657 1.00 34.12 H new ATOM 666 N VAL A 43 10.162 -6.109 5.505 1.00 23.24 N ATOM 667 CA VAL A 43 10.420 -4.665 5.495 1.00 31.31 C ATOM 668 C VAL A 43 11.241 -4.248 6.725 1.00 70.10 C ATOM 669 O VAL A 43 10.757 -4.296 7.858 1.00 3.21 O ATOM 670 CB VAL A 43 9.099 -3.854 5.451 1.00 51.32 C ATOM 671 CG1 VAL A 43 9.379 -2.349 5.422 1.00 20.15 C ATOM 672 CG2 VAL A 43 8.248 -4.276 4.251 1.00 21.04 C ATOM 0 H VAL A 43 9.187 -6.361 5.665 1.00 23.24 H new ATOM 0 HA VAL A 43 10.991 -4.445 4.593 1.00 31.31 H new ATOM 0 HB VAL A 43 8.537 -4.070 6.360 1.00 51.32 H new ATOM 0 HG11 VAL A 43 8.436 -1.804 5.391 1.00 20.15 H new ATOM 0 HG12 VAL A 43 9.933 -2.065 6.316 1.00 20.15 H new ATOM 0 HG13 VAL A 43 9.968 -2.105 4.538 1.00 20.15 H new ATOM 0 HG21 VAL A 43 7.325 -3.696 4.237 1.00 21.04 H new ATOM 0 HG22 VAL A 43 8.803 -4.097 3.330 1.00 21.04 H new ATOM 0 HG23 VAL A 43 8.009 -5.336 4.330 1.00 21.04 H new ATOM 682 N ALA A 44 12.491 -3.865 6.495 1.00 4.43 N ATOM 683 CA ALA A 44 13.395 -3.466 7.579 1.00 32.21 C ATOM 684 C ALA A 44 13.082 -2.057 8.104 1.00 11.04 C ATOM 685 O ALA A 44 12.607 -1.199 7.359 1.00 52.34 O ATOM 686 CB ALA A 44 14.837 -3.536 7.097 1.00 62.24 C ATOM 0 H ALA A 44 12.908 -3.821 5.565 1.00 4.43 H new ATOM 0 HA ALA A 44 13.247 -4.160 8.406 1.00 32.21 H new ATOM 0 HB1 ALA A 44 15.506 -3.239 7.905 1.00 62.24 H new ATOM 0 HB2 ALA A 44 15.069 -4.556 6.791 1.00 62.24 H new ATOM 0 HB3 ALA A 44 14.970 -2.863 6.250 1.00 62.24 H new ATOM 692 N GLU A 45 13.354 -1.822 9.391 1.00 10.03 N ATOM 693 CA GLU A 45 13.159 -0.494 9.991 1.00 61.21 C ATOM 694 C GLU A 45 13.865 0.594 9.163 1.00 64.20 C ATOM 695 O GLU A 45 15.055 0.492 8.858 1.00 4.21 O ATOM 696 CB GLU A 45 13.664 -0.478 11.441 1.00 71.23 C ATOM 697 CG GLU A 45 13.498 0.874 12.140 1.00 51.03 C ATOM 698 CD GLU A 45 13.777 0.808 13.633 1.00 1.33 C ATOM 699 OE1 GLU A 45 14.958 0.718 14.023 1.00 61.03 O ATOM 700 OE2 GLU A 45 12.814 0.848 14.429 1.00 51.22 O ATOM 0 H GLU A 45 13.708 -2.528 10.036 1.00 10.03 H new ATOM 0 HA GLU A 45 12.091 -0.278 9.993 1.00 61.21 H new ATOM 0 HB2 GLU A 45 13.129 -1.238 12.010 1.00 71.23 H new ATOM 0 HB3 GLU A 45 14.718 -0.755 11.451 1.00 71.23 H new ATOM 0 HG2 GLU A 45 14.171 1.599 11.682 1.00 51.03 H new ATOM 0 HG3 GLU A 45 12.482 1.237 11.981 1.00 51.03 H new ATOM 707 N GLY A 46 13.122 1.639 8.806 1.00 61.42 N ATOM 708 CA GLY A 46 13.609 2.620 7.842 1.00 23.11 C ATOM 709 C GLY A 46 12.874 2.501 6.512 1.00 42.22 C ATOM 710 O GLY A 46 12.452 3.503 5.929 1.00 21.21 O ATOM 0 H GLY A 46 12.187 1.827 9.167 1.00 61.42 H new ATOM 0 HA2 GLY A 46 13.477 3.625 8.244 1.00 23.11 H new ATOM 0 HA3 GLY A 46 14.678 2.478 7.683 1.00 23.11 H new ATOM 714 N GLY A 47 12.701 1.261 6.044 1.00 54.01 N ATOM 715 CA GLY A 47 11.924 1.003 4.834 1.00 63.31 C ATOM 716 C GLY A 47 10.450 1.369 4.998 1.00 43.45 C ATOM 717 O GLY A 47 9.737 1.564 4.015 1.00 12.21 O ATOM 0 H GLY A 47 13.087 0.426 6.484 1.00 54.01 H new ATOM 0 HA2 GLY A 47 12.347 1.572 4.006 1.00 63.31 H new ATOM 0 HA3 GLY A 47 12.006 -0.052 4.571 1.00 63.31 H new ATOM 721 N GLU A 48 10.003 1.443 6.254 1.00 53.31 N ATOM 722 CA GLU A 48 8.648 1.905 6.596 1.00 62.34 C ATOM 723 C GLU A 48 8.331 3.246 5.917 1.00 63.43 C ATOM 724 O GLU A 48 7.250 3.448 5.367 1.00 64.54 O ATOM 725 CB GLU A 48 8.543 2.066 8.120 1.00 2.23 C ATOM 726 CG GLU A 48 7.175 2.531 8.620 1.00 53.04 C ATOM 727 CD GLU A 48 6.148 1.409 8.654 1.00 51.53 C ATOM 728 OE1 GLU A 48 6.236 0.557 9.570 1.00 1.34 O ATOM 729 OE2 GLU A 48 5.265 1.375 7.777 1.00 20.54 O ATOM 0 H GLU A 48 10.566 1.186 7.064 1.00 53.31 H new ATOM 0 HA GLU A 48 7.929 1.166 6.242 1.00 62.34 H new ATOM 0 HB2 GLU A 48 8.781 1.112 8.590 1.00 2.23 H new ATOM 0 HB3 GLU A 48 9.297 2.781 8.449 1.00 2.23 H new ATOM 0 HG2 GLU A 48 7.282 2.950 9.621 1.00 53.04 H new ATOM 0 HG3 GLU A 48 6.811 3.332 7.976 1.00 53.04 H new ATOM 736 N ARG A 49 9.302 4.157 5.953 1.00 74.12 N ATOM 737 CA ARG A 49 9.144 5.489 5.362 1.00 64.12 C ATOM 738 C ARG A 49 9.294 5.455 3.832 1.00 30.24 C ATOM 739 O ARG A 49 9.085 6.463 3.155 1.00 32.13 O ATOM 740 CB ARG A 49 10.176 6.454 5.964 1.00 33.24 C ATOM 741 CG ARG A 49 10.076 6.607 7.479 1.00 62.34 C ATOM 742 CD ARG A 49 8.714 7.148 7.916 1.00 62.34 C ATOM 743 NE ARG A 49 8.383 8.407 7.251 1.00 70.11 N ATOM 744 CZ ARG A 49 8.106 9.520 7.871 1.00 11.22 C ATOM 745 NH1 ARG A 49 8.118 9.577 9.163 1.00 65.05 N ATOM 746 NH2 ARG A 49 7.813 10.581 7.194 1.00 3.45 N ATOM 0 H ARG A 49 10.211 3.998 6.387 1.00 74.12 H new ATOM 0 HA ARG A 49 8.137 5.836 5.591 1.00 64.12 H new ATOM 0 HB2 ARG A 49 11.176 6.104 5.710 1.00 33.24 H new ATOM 0 HB3 ARG A 49 10.054 7.434 5.502 1.00 33.24 H new ATOM 0 HG2 ARG A 49 10.250 5.641 7.952 1.00 62.34 H new ATOM 0 HG3 ARG A 49 10.861 7.279 7.827 1.00 62.34 H new ATOM 0 HD2 ARG A 49 7.943 6.409 7.696 1.00 62.34 H new ATOM 0 HD3 ARG A 49 8.713 7.298 8.996 1.00 62.34 H new ATOM 0 HE ARG A 49 8.368 8.415 6.231 1.00 70.11 H new ATOM 0 HH11 ARG A 49 8.346 8.746 9.708 1.00 65.05 H new ATOM 0 HH12 ARG A 49 7.900 10.453 9.637 1.00 65.05 H new ATOM 0 HH21 ARG A 49 7.798 10.548 6.175 1.00 3.45 H new ATOM 0 HH22 ARG A 49 7.596 11.452 7.679 1.00 3.45 H new ATOM 760 N CYS A 50 9.642 4.293 3.286 1.00 5.03 N ATOM 761 CA CYS A 50 9.875 4.167 1.846 1.00 62.24 C ATOM 762 C CYS A 50 9.221 2.911 1.248 1.00 45.31 C ATOM 763 O CYS A 50 9.914 1.964 0.865 1.00 31.34 O ATOM 764 CB CYS A 50 11.379 4.160 1.543 1.00 14.31 C ATOM 765 SG CYS A 50 12.226 5.705 1.931 1.00 44.22 S ATOM 0 H CYS A 50 9.769 3.429 3.813 1.00 5.03 H new ATOM 0 HA CYS A 50 9.409 5.034 1.378 1.00 62.24 H new ATOM 0 HB2 CYS A 50 11.847 3.352 2.106 1.00 14.31 H new ATOM 0 HB3 CYS A 50 11.523 3.937 0.486 1.00 14.31 H new ATOM 0 HG CYS A 50 13.488 5.593 1.640 1.00 44.22 H new ATOM 771 N PRO A 51 7.875 2.880 1.141 1.00 72.54 N ATOM 772 CA PRO A 51 7.178 1.825 0.386 1.00 62.44 C ATOM 773 C PRO A 51 7.629 1.833 -1.082 1.00 64.45 C ATOM 774 O PRO A 51 7.570 0.818 -1.785 1.00 21.52 O ATOM 775 CB PRO A 51 5.691 2.200 0.519 1.00 64.32 C ATOM 776 CG PRO A 51 5.686 3.640 0.920 1.00 53.51 C ATOM 777 CD PRO A 51 6.931 3.842 1.738 1.00 34.45 C ATOM 0 HA PRO A 51 7.385 0.821 0.757 1.00 62.44 H new ATOM 0 HB2 PRO A 51 5.161 2.051 -0.422 1.00 64.32 H new ATOM 0 HB3 PRO A 51 5.194 1.581 1.266 1.00 64.32 H new ATOM 0 HG2 PRO A 51 5.684 4.290 0.045 1.00 53.51 H new ATOM 0 HG3 PRO A 51 4.794 3.882 1.499 1.00 53.51 H new ATOM 0 HD2 PRO A 51 7.299 4.866 1.668 1.00 34.45 H new ATOM 0 HD3 PRO A 51 6.758 3.637 2.794 1.00 34.45 H new ATOM 785 N GLN A 52 8.107 3.004 -1.514 1.00 54.04 N ATOM 786 CA GLN A 52 8.731 3.191 -2.827 1.00 53.55 C ATOM 787 C GLN A 52 9.905 2.215 -3.052 1.00 23.22 C ATOM 788 O GLN A 52 10.230 1.873 -4.189 1.00 14.40 O ATOM 789 CB GLN A 52 9.211 4.650 -2.950 1.00 42.41 C ATOM 790 CG GLN A 52 10.217 5.067 -1.873 1.00 11.20 C ATOM 791 CD GLN A 52 10.407 6.575 -1.774 1.00 70.51 C ATOM 792 OE1 GLN A 52 10.247 7.303 -2.745 1.00 40.14 O ATOM 793 NE2 GLN A 52 10.761 7.058 -0.598 1.00 54.34 N ATOM 0 H GLN A 52 8.071 3.857 -0.956 1.00 54.04 H new ATOM 0 HA GLN A 52 7.989 2.977 -3.596 1.00 53.55 H new ATOM 0 HB2 GLN A 52 9.665 4.791 -3.931 1.00 42.41 H new ATOM 0 HB3 GLN A 52 8.346 5.312 -2.901 1.00 42.41 H new ATOM 0 HG2 GLN A 52 9.883 4.686 -0.908 1.00 11.20 H new ATOM 0 HG3 GLN A 52 11.179 4.600 -2.085 1.00 11.20 H new ATOM 0 HE21 GLN A 52 10.887 6.429 0.195 1.00 54.34 H new ATOM 0 HE22 GLN A 52 10.908 8.061 -0.482 1.00 54.34 H new ATOM 802 N SER A 53 10.530 1.766 -1.961 1.00 3.45 N ATOM 803 CA SER A 53 11.651 0.812 -2.034 1.00 65.13 C ATOM 804 C SER A 53 11.162 -0.644 -2.006 1.00 3.33 C ATOM 805 O SER A 53 11.755 -1.521 -2.635 1.00 32.21 O ATOM 806 CB SER A 53 12.628 1.039 -0.868 1.00 2.44 C ATOM 807 OG SER A 53 13.702 0.105 -0.895 1.00 64.24 O ATOM 0 H SER A 53 10.282 2.046 -1.012 1.00 3.45 H new ATOM 0 HA SER A 53 12.160 0.987 -2.982 1.00 65.13 H new ATOM 0 HB2 SER A 53 13.025 2.053 -0.918 1.00 2.44 H new ATOM 0 HB3 SER A 53 12.093 0.952 0.078 1.00 2.44 H new ATOM 0 HG SER A 53 14.305 0.278 -0.142 1.00 64.24 H new ATOM 813 N VAL A 54 10.076 -0.892 -1.277 1.00 71.20 N ATOM 814 CA VAL A 54 9.553 -2.255 -1.102 1.00 51.04 C ATOM 815 C VAL A 54 8.995 -2.836 -2.416 1.00 12.31 C ATOM 816 O VAL A 54 9.460 -3.874 -2.892 1.00 61.21 O ATOM 817 CB VAL A 54 8.449 -2.295 -0.014 1.00 3.34 C ATOM 818 CG1 VAL A 54 7.940 -3.722 0.197 1.00 1.21 C ATOM 819 CG2 VAL A 54 8.960 -1.698 1.299 1.00 12.24 C ATOM 0 H VAL A 54 9.538 -0.171 -0.796 1.00 71.20 H new ATOM 0 HA VAL A 54 10.396 -2.870 -0.785 1.00 51.04 H new ATOM 0 HB VAL A 54 7.612 -1.688 -0.359 1.00 3.34 H new ATOM 0 HG11 VAL A 54 7.167 -3.723 0.965 1.00 1.21 H new ATOM 0 HG12 VAL A 54 7.525 -4.102 -0.736 1.00 1.21 H new ATOM 0 HG13 VAL A 54 8.766 -4.360 0.513 1.00 1.21 H new ATOM 0 HG21 VAL A 54 8.169 -1.736 2.048 1.00 12.24 H new ATOM 0 HG22 VAL A 54 9.819 -2.270 1.649 1.00 12.24 H new ATOM 0 HG23 VAL A 54 9.256 -0.662 1.137 1.00 12.24 H new ATOM 829 N GLY A 55 8.004 -2.161 -3.003 1.00 54.20 N ATOM 830 CA GLY A 55 7.406 -2.634 -4.255 1.00 54.52 C ATOM 831 C GLY A 55 5.896 -2.857 -4.159 1.00 53.34 C ATOM 832 O GLY A 55 5.134 -1.914 -3.948 1.00 40.45 O ATOM 0 H GLY A 55 7.603 -1.297 -2.638 1.00 54.20 H new ATOM 0 HA2 GLY A 55 7.610 -1.909 -5.043 1.00 54.52 H new ATOM 0 HA3 GLY A 55 7.886 -3.568 -4.549 1.00 54.52 H new ATOM 836 N TRP A 56 5.455 -4.106 -4.331 1.00 43.00 N ATOM 837 CA TRP A 56 4.021 -4.446 -4.282 1.00 71.34 C ATOM 838 C TRP A 56 3.647 -5.096 -2.938 1.00 3.43 C ATOM 839 O TRP A 56 4.272 -6.071 -2.516 1.00 34.41 O ATOM 840 CB TRP A 56 3.656 -5.393 -5.439 1.00 73.41 C ATOM 841 CG TRP A 56 3.906 -4.824 -6.811 1.00 51.14 C ATOM 842 CD1 TRP A 56 4.373 -3.575 -7.119 1.00 64.34 C ATOM 843 CD2 TRP A 56 3.700 -5.491 -8.062 1.00 75.03 C ATOM 844 NE1 TRP A 56 4.465 -3.427 -8.480 1.00 23.42 N ATOM 845 CE2 TRP A 56 4.060 -4.591 -9.081 1.00 62.20 C ATOM 846 CE3 TRP A 56 3.245 -6.765 -8.417 1.00 31.42 C ATOM 847 CZ2 TRP A 56 3.983 -4.925 -10.431 1.00 12.25 C ATOM 848 CZ3 TRP A 56 3.169 -7.095 -9.757 1.00 13.12 C ATOM 849 CH2 TRP A 56 3.535 -6.177 -10.749 1.00 35.22 C ATOM 0 H TRP A 56 6.067 -4.903 -4.506 1.00 43.00 H new ATOM 0 HA TRP A 56 3.456 -3.519 -4.383 1.00 71.34 H new ATOM 0 HB2 TRP A 56 4.227 -6.315 -5.332 1.00 73.41 H new ATOM 0 HB3 TRP A 56 2.602 -5.659 -5.356 1.00 73.41 H new ATOM 0 HD1 TRP A 56 4.632 -2.816 -6.396 1.00 64.34 H new ATOM 0 HE1 TRP A 56 4.783 -2.588 -8.965 1.00 23.42 H new ATOM 0 HE3 TRP A 56 2.958 -7.478 -7.658 1.00 31.42 H new ATOM 0 HZ2 TRP A 56 4.267 -4.221 -11.199 1.00 12.25 H new ATOM 0 HZ3 TRP A 56 2.822 -8.077 -10.044 1.00 13.12 H new ATOM 0 HH2 TRP A 56 3.462 -6.464 -11.788 1.00 35.22 H new ATOM 860 N MET A 57 2.618 -4.564 -2.274 1.00 24.13 N ATOM 861 CA MET A 57 2.209 -5.056 -0.948 1.00 31.34 C ATOM 862 C MET A 57 0.682 -5.241 -0.857 1.00 62.25 C ATOM 863 O MET A 57 -0.072 -4.514 -1.503 1.00 10.43 O ATOM 864 CB MET A 57 2.665 -4.077 0.148 1.00 51.22 C ATOM 865 CG MET A 57 4.164 -3.805 0.157 1.00 60.42 C ATOM 866 SD MET A 57 4.685 -2.812 1.571 1.00 11.53 S ATOM 867 CE MET A 57 3.699 -1.332 1.350 1.00 1.23 C ATOM 0 H MET A 57 2.051 -3.794 -2.629 1.00 24.13 H new ATOM 0 HA MET A 57 2.684 -6.026 -0.801 1.00 31.34 H new ATOM 0 HB2 MET A 57 2.136 -3.133 0.019 1.00 51.22 H new ATOM 0 HB3 MET A 57 2.373 -4.475 1.120 1.00 51.22 H new ATOM 0 HG2 MET A 57 4.701 -4.754 0.167 1.00 60.42 H new ATOM 0 HG3 MET A 57 4.441 -3.292 -0.764 1.00 60.42 H new ATOM 0 HE1 MET A 57 4.074 -0.544 2.003 1.00 1.23 H new ATOM 0 HE2 MET A 57 3.762 -1.004 0.312 1.00 1.23 H new ATOM 0 HE3 MET A 57 2.660 -1.546 1.600 1.00 1.23 H new ATOM 877 N PRO A 58 0.206 -6.221 -0.059 1.00 74.54 N ATOM 878 CA PRO A 58 -1.232 -6.410 0.198 1.00 62.44 C ATOM 879 C PRO A 58 -1.770 -5.471 1.301 1.00 42.32 C ATOM 880 O PRO A 58 -1.257 -5.450 2.422 1.00 11.11 O ATOM 881 CB PRO A 58 -1.300 -7.875 0.643 1.00 5.12 C ATOM 882 CG PRO A 58 0.005 -8.120 1.327 1.00 13.11 C ATOM 883 CD PRO A 58 1.024 -7.241 0.634 1.00 71.45 C ATOM 0 HA PRO A 58 -1.845 -6.179 -0.673 1.00 62.44 H new ATOM 0 HB2 PRO A 58 -2.139 -8.046 1.317 1.00 5.12 H new ATOM 0 HB3 PRO A 58 -1.433 -8.542 -0.208 1.00 5.12 H new ATOM 0 HG2 PRO A 58 -0.061 -7.876 2.387 1.00 13.11 H new ATOM 0 HG3 PRO A 58 0.288 -9.170 1.258 1.00 13.11 H new ATOM 0 HD2 PRO A 58 1.709 -6.785 1.349 1.00 71.45 H new ATOM 0 HD3 PRO A 58 1.630 -7.812 -0.069 1.00 71.45 H new ATOM 891 N GLY A 59 -2.808 -4.696 0.980 1.00 1.52 N ATOM 892 CA GLY A 59 -3.365 -3.748 1.944 1.00 42.44 C ATOM 893 C GLY A 59 -4.844 -3.436 1.718 1.00 44.35 C ATOM 894 O GLY A 59 -5.495 -4.030 0.854 1.00 4.21 O ATOM 0 H GLY A 59 -3.274 -4.706 0.073 1.00 1.52 H new ATOM 0 HA2 GLY A 59 -3.237 -4.149 2.949 1.00 42.44 H new ATOM 0 HA3 GLY A 59 -2.796 -2.819 1.897 1.00 42.44 H new ATOM 898 N LEU A 60 -5.361 -2.485 2.494 1.00 53.23 N ATOM 899 CA LEU A 60 -6.780 -2.105 2.461 1.00 62.04 C ATOM 900 C LEU A 60 -6.999 -0.742 1.778 1.00 53.22 C ATOM 901 O LEU A 60 -6.554 0.289 2.279 1.00 31.32 O ATOM 902 CB LEU A 60 -7.321 -2.052 3.903 1.00 30.33 C ATOM 903 CG LEU A 60 -8.695 -1.375 4.081 1.00 52.13 C ATOM 904 CD1 LEU A 60 -9.784 -2.128 3.323 1.00 3.10 C ATOM 905 CD2 LEU A 60 -9.049 -1.254 5.562 1.00 2.40 C ATOM 0 H LEU A 60 -4.809 -1.952 3.167 1.00 53.23 H new ATOM 0 HA LEU A 60 -7.316 -2.854 1.878 1.00 62.04 H new ATOM 0 HB2 LEU A 60 -7.388 -3.071 4.283 1.00 30.33 H new ATOM 0 HB3 LEU A 60 -6.595 -1.527 4.524 1.00 30.33 H new ATOM 0 HG LEU A 60 -8.631 -0.371 3.661 1.00 52.13 H new ATOM 0 HD11 LEU A 60 -10.741 -1.627 3.468 1.00 3.10 H new ATOM 0 HD12 LEU A 60 -9.541 -2.147 2.261 1.00 3.10 H new ATOM 0 HD13 LEU A 60 -9.849 -3.149 3.698 1.00 3.10 H new ATOM 0 HD21 LEU A 60 -10.022 -0.774 5.665 1.00 2.40 H new ATOM 0 HD22 LEU A 60 -9.085 -2.247 6.010 1.00 2.40 H new ATOM 0 HD23 LEU A 60 -8.293 -0.655 6.069 1.00 2.40 H new ATOM 917 N ASN A 61 -7.695 -0.742 0.641 1.00 21.20 N ATOM 918 CA ASN A 61 -8.093 0.506 -0.027 1.00 55.12 C ATOM 919 C ASN A 61 -9.376 1.069 0.611 1.00 22.32 C ATOM 920 O ASN A 61 -10.473 0.571 0.363 1.00 51.21 O ATOM 921 CB ASN A 61 -8.309 0.261 -1.528 1.00 62.14 C ATOM 922 CG ASN A 61 -8.845 1.487 -2.249 1.00 15.25 C ATOM 923 OD1 ASN A 61 -10.050 1.691 -2.337 1.00 24.34 O ATOM 924 ND2 ASN A 61 -7.961 2.312 -2.767 1.00 52.21 N ATOM 0 H ASN A 61 -7.997 -1.590 0.160 1.00 21.20 H new ATOM 0 HA ASN A 61 -7.293 1.236 0.096 1.00 55.12 H new ATOM 0 HB2 ASN A 61 -7.365 -0.040 -1.983 1.00 62.14 H new ATOM 0 HB3 ASN A 61 -9.005 -0.567 -1.661 1.00 62.14 H new ATOM 0 HD21 ASN A 61 -8.272 3.150 -3.259 1.00 52.21 H new ATOM 0 HD22 ASN A 61 -6.964 2.114 -2.677 1.00 52.21 H new ATOM 931 N GLU A 62 -9.239 2.115 1.426 1.00 55.21 N ATOM 932 CA GLU A 62 -10.377 2.653 2.191 1.00 1.51 C ATOM 933 C GLU A 62 -11.449 3.317 1.303 1.00 20.20 C ATOM 934 O GLU A 62 -12.533 3.650 1.785 1.00 40.24 O ATOM 935 CB GLU A 62 -9.891 3.641 3.263 1.00 13.13 C ATOM 936 CG GLU A 62 -9.003 3.006 4.332 1.00 74.21 C ATOM 937 CD GLU A 62 -8.846 3.882 5.569 1.00 64.21 C ATOM 938 OE1 GLU A 62 -9.807 3.969 6.364 1.00 2.23 O ATOM 939 OE2 GLU A 62 -7.771 4.486 5.761 1.00 35.44 O ATOM 0 H GLU A 62 -8.359 2.608 1.577 1.00 55.21 H new ATOM 0 HA GLU A 62 -10.853 1.798 2.671 1.00 1.51 H new ATOM 0 HB2 GLU A 62 -9.340 4.446 2.778 1.00 13.13 H new ATOM 0 HB3 GLU A 62 -10.757 4.093 3.746 1.00 13.13 H new ATOM 0 HG2 GLU A 62 -9.426 2.045 4.625 1.00 74.21 H new ATOM 0 HG3 GLU A 62 -8.019 2.805 3.908 1.00 74.21 H new ATOM 946 N ARG A 63 -11.170 3.503 0.011 1.00 40.23 N ATOM 947 CA ARG A 63 -12.170 4.081 -0.900 1.00 43.32 C ATOM 948 C ARG A 63 -13.168 3.009 -1.371 1.00 45.14 C ATOM 949 O ARG A 63 -14.322 3.306 -1.680 1.00 64.13 O ATOM 950 CB ARG A 63 -11.505 4.738 -2.121 1.00 34.34 C ATOM 951 CG ARG A 63 -12.414 5.740 -2.833 1.00 4.14 C ATOM 952 CD ARG A 63 -11.848 6.196 -4.173 1.00 21.12 C ATOM 953 NE ARG A 63 -11.950 5.153 -5.195 1.00 2.32 N ATOM 954 CZ ARG A 63 -12.685 5.262 -6.272 1.00 74.13 C ATOM 955 NH1 ARG A 63 -13.328 6.360 -6.515 1.00 33.40 N ATOM 956 NH2 ARG A 63 -12.761 4.286 -7.117 1.00 62.11 N ATOM 0 H ARG A 63 -10.278 3.268 -0.425 1.00 40.23 H new ATOM 0 HA ARG A 63 -12.707 4.849 -0.343 1.00 43.32 H new ATOM 0 HB2 ARG A 63 -10.595 5.245 -1.802 1.00 34.34 H new ATOM 0 HB3 ARG A 63 -11.207 3.962 -2.826 1.00 34.34 H new ATOM 0 HG2 ARG A 63 -13.393 5.288 -2.991 1.00 4.14 H new ATOM 0 HG3 ARG A 63 -12.564 6.608 -2.192 1.00 4.14 H new ATOM 0 HD2 ARG A 63 -12.382 7.085 -4.508 1.00 21.12 H new ATOM 0 HD3 ARG A 63 -10.803 6.480 -4.048 1.00 21.12 H new ATOM 0 HE ARG A 63 -11.418 4.293 -5.060 1.00 2.32 H new ATOM 0 HH11 ARG A 63 -13.262 7.144 -5.866 1.00 33.40 H new ATOM 0 HH12 ARG A 63 -13.900 6.441 -7.356 1.00 33.40 H new ATOM 0 HH21 ARG A 63 -12.246 3.423 -6.946 1.00 62.11 H new ATOM 0 HH22 ARG A 63 -13.336 4.380 -7.954 1.00 62.11 H new ATOM 970 N THR A 64 -12.706 1.762 -1.435 1.00 23.43 N ATOM 971 CA THR A 64 -13.556 0.625 -1.827 1.00 73.43 C ATOM 972 C THR A 64 -13.778 -0.347 -0.659 1.00 10.44 C ATOM 973 O THR A 64 -14.628 -1.234 -0.736 1.00 71.41 O ATOM 974 CB THR A 64 -12.926 -0.157 -3.003 1.00 23.31 C ATOM 975 OG1 THR A 64 -11.634 -0.655 -2.619 1.00 74.42 O ATOM 976 CG2 THR A 64 -12.786 0.723 -4.242 1.00 74.14 C ATOM 0 H THR A 64 -11.742 1.506 -1.220 1.00 23.43 H new ATOM 0 HA THR A 64 -14.515 1.044 -2.131 1.00 73.43 H new ATOM 0 HB THR A 64 -13.586 -0.989 -3.247 1.00 23.31 H new ATOM 0 HG1 THR A 64 -11.016 0.096 -2.500 1.00 74.42 H new ATOM 0 HG21 THR A 64 -12.340 0.144 -5.051 1.00 74.14 H new ATOM 0 HG22 THR A 64 -13.770 1.078 -4.549 1.00 74.14 H new ATOM 0 HG23 THR A 64 -12.148 1.576 -4.012 1.00 74.14 H new ATOM 984 N ARG A 65 -13.005 -0.167 0.420 1.00 74.32 N ATOM 985 CA ARG A 65 -13.042 -1.059 1.595 1.00 42.43 C ATOM 986 C ARG A 65 -12.544 -2.477 1.259 1.00 43.44 C ATOM 987 O ARG A 65 -12.716 -3.408 2.047 1.00 0.44 O ATOM 988 CB ARG A 65 -14.457 -1.122 2.210 1.00 13.22 C ATOM 989 CG ARG A 65 -14.826 0.086 3.074 1.00 60.34 C ATOM 990 CD ARG A 65 -14.886 1.386 2.278 1.00 11.24 C ATOM 991 NE ARG A 65 -15.915 1.356 1.241 1.00 52.21 N ATOM 992 CZ ARG A 65 -16.355 2.414 0.620 1.00 52.52 C ATOM 993 NH1 ARG A 65 -15.875 3.587 0.893 1.00 5.14 N ATOM 994 NH2 ARG A 65 -17.282 2.302 -0.272 1.00 63.50 N ATOM 0 H ARG A 65 -12.336 0.598 0.507 1.00 74.32 H new ATOM 0 HA ARG A 65 -12.362 -0.632 2.332 1.00 42.43 H new ATOM 0 HB2 ARG A 65 -15.186 -1.213 1.405 1.00 13.22 H new ATOM 0 HB3 ARG A 65 -14.537 -2.024 2.816 1.00 13.22 H new ATOM 0 HG2 ARG A 65 -15.793 -0.091 3.545 1.00 60.34 H new ATOM 0 HG3 ARG A 65 -14.095 0.190 3.876 1.00 60.34 H new ATOM 0 HD2 ARG A 65 -15.082 2.216 2.957 1.00 11.24 H new ATOM 0 HD3 ARG A 65 -13.916 1.573 1.818 1.00 11.24 H new ATOM 0 HE ARG A 65 -16.313 0.452 0.988 1.00 52.21 H new ATOM 0 HH11 ARG A 65 -15.146 3.688 1.599 1.00 5.14 H new ATOM 0 HH12 ARG A 65 -16.226 4.409 0.401 1.00 5.14 H new ATOM 0 HH21 ARG A 65 -17.671 1.385 -0.491 1.00 63.50 H new ATOM 0 HH22 ARG A 65 -17.626 3.131 -0.757 1.00 63.50 H new ATOM 1008 N GLN A 66 -11.894 -2.628 0.106 1.00 64.43 N ATOM 1009 CA GLN A 66 -11.420 -3.939 -0.350 1.00 24.03 C ATOM 1010 C GLN A 66 -9.942 -4.164 0.000 1.00 5.11 C ATOM 1011 O GLN A 66 -9.137 -3.226 0.005 1.00 45.42 O ATOM 1012 CB GLN A 66 -11.624 -4.083 -1.866 1.00 54.51 C ATOM 1013 CG GLN A 66 -13.047 -3.784 -2.321 1.00 55.34 C ATOM 1014 CD GLN A 66 -14.100 -4.598 -1.584 1.00 51.13 C ATOM 1015 OE1 GLN A 66 -13.869 -5.732 -1.173 1.00 12.53 O ATOM 1016 NE2 GLN A 66 -15.266 -4.015 -1.402 1.00 15.53 N ATOM 0 H GLN A 66 -11.682 -1.860 -0.531 1.00 64.43 H new ATOM 0 HA GLN A 66 -12.007 -4.697 0.169 1.00 24.03 H new ATOM 0 HB2 GLN A 66 -10.938 -3.411 -2.382 1.00 54.51 H new ATOM 0 HB3 GLN A 66 -11.362 -5.098 -2.165 1.00 54.51 H new ATOM 0 HG2 GLN A 66 -13.252 -2.723 -2.176 1.00 55.34 H new ATOM 0 HG3 GLN A 66 -13.128 -3.982 -3.390 1.00 55.34 H new ATOM 0 HE21 GLN A 66 -15.425 -3.072 -1.756 1.00 15.53 H new ATOM 0 HE22 GLN A 66 -16.010 -4.506 -0.907 1.00 15.53 H new ATOM 1025 N ARG A 67 -9.599 -5.413 0.303 1.00 4.30 N ATOM 1026 CA ARG A 67 -8.217 -5.796 0.610 1.00 73.02 C ATOM 1027 C ARG A 67 -7.590 -6.547 -0.573 1.00 5.40 C ATOM 1028 O ARG A 67 -8.176 -7.498 -1.097 1.00 32.42 O ATOM 1029 CB ARG A 67 -8.157 -6.676 1.875 1.00 11.21 C ATOM 1030 CG ARG A 67 -8.526 -5.959 3.174 1.00 63.33 C ATOM 1031 CD ARG A 67 -10.019 -5.648 3.271 1.00 54.34 C ATOM 1032 NE ARG A 67 -10.840 -6.857 3.310 1.00 71.25 N ATOM 1033 CZ ARG A 67 -12.148 -6.856 3.317 1.00 40.12 C ATOM 1034 NH1 ARG A 67 -12.815 -5.746 3.232 1.00 60.43 N ATOM 1035 NH2 ARG A 67 -12.790 -7.973 3.391 1.00 51.42 N ATOM 0 H ARG A 67 -10.263 -6.186 0.344 1.00 4.30 H new ATOM 0 HA ARG A 67 -7.651 -4.883 0.793 1.00 73.02 H new ATOM 0 HB2 ARG A 67 -8.828 -7.525 1.742 1.00 11.21 H new ATOM 0 HB3 ARG A 67 -7.149 -7.079 1.973 1.00 11.21 H new ATOM 0 HG2 ARG A 67 -8.232 -6.577 4.022 1.00 63.33 H new ATOM 0 HG3 ARG A 67 -7.960 -5.030 3.245 1.00 63.33 H new ATOM 0 HD2 ARG A 67 -10.206 -5.056 4.167 1.00 54.34 H new ATOM 0 HD3 ARG A 67 -10.316 -5.038 2.418 1.00 54.34 H new ATOM 0 HE ARG A 67 -10.363 -7.758 3.333 1.00 71.25 H new ATOM 0 HH11 ARG A 67 -12.319 -4.858 3.158 1.00 60.43 H new ATOM 0 HH12 ARG A 67 -13.835 -5.762 3.239 1.00 60.43 H new ATOM 0 HH21 ARG A 67 -12.277 -8.853 3.444 1.00 51.42 H new ATOM 0 HH22 ARG A 67 -13.810 -7.976 3.397 1.00 51.42 H new ATOM 1049 N GLY A 68 -6.399 -6.130 -0.987 1.00 53.35 N ATOM 1050 CA GLY A 68 -5.735 -6.775 -2.114 1.00 51.14 C ATOM 1051 C GLY A 68 -4.289 -6.328 -2.301 1.00 70.45 C ATOM 1052 O GLY A 68 -3.763 -5.550 -1.507 1.00 33.41 O ATOM 0 H GLY A 68 -5.879 -5.360 -0.567 1.00 53.35 H new ATOM 0 HA2 GLY A 68 -5.758 -7.855 -1.970 1.00 51.14 H new ATOM 0 HA3 GLY A 68 -6.294 -6.563 -3.025 1.00 51.14 H new ATOM 1056 N ASP A 69 -3.653 -6.812 -3.363 1.00 2.24 N ATOM 1057 CA ASP A 69 -2.257 -6.481 -3.656 1.00 73.32 C ATOM 1058 C ASP A 69 -2.160 -5.215 -4.520 1.00 54.55 C ATOM 1059 O ASP A 69 -2.639 -5.189 -5.653 1.00 32.12 O ATOM 1060 CB ASP A 69 -1.585 -7.652 -4.379 1.00 0.52 C ATOM 1061 CG ASP A 69 -1.690 -8.948 -3.599 1.00 0.52 C ATOM 1062 OD1 ASP A 69 -0.799 -9.226 -2.772 1.00 20.34 O ATOM 1063 OD2 ASP A 69 -2.667 -9.700 -3.816 1.00 30.20 O ATOM 0 H ASP A 69 -4.084 -7.440 -4.042 1.00 2.24 H new ATOM 0 HA ASP A 69 -1.746 -6.293 -2.712 1.00 73.32 H new ATOM 0 HB2 ASP A 69 -2.044 -7.782 -5.359 1.00 0.52 H new ATOM 0 HB3 ASP A 69 -0.534 -7.417 -4.548 1.00 0.52 H new ATOM 1068 N PHE A 70 -1.540 -4.168 -3.985 1.00 3.31 N ATOM 1069 CA PHE A 70 -1.377 -2.911 -4.723 1.00 54.44 C ATOM 1070 C PHE A 70 0.109 -2.525 -4.850 1.00 24.21 C ATOM 1071 O PHE A 70 0.926 -2.849 -3.980 1.00 64.04 O ATOM 1072 CB PHE A 70 -2.166 -1.782 -4.038 1.00 72.43 C ATOM 1073 CG PHE A 70 -1.612 -1.355 -2.698 1.00 65.31 C ATOM 1074 CD1 PHE A 70 -1.936 -2.047 -1.540 1.00 31.41 C ATOM 1075 CD2 PHE A 70 -0.766 -0.257 -2.601 1.00 34.32 C ATOM 1076 CE1 PHE A 70 -1.426 -1.654 -0.316 1.00 42.31 C ATOM 1077 CE2 PHE A 70 -0.256 0.138 -1.378 1.00 25.14 C ATOM 1078 CZ PHE A 70 -0.587 -0.560 -0.237 1.00 73.41 C ATOM 0 H PHE A 70 -1.142 -4.160 -3.046 1.00 3.31 H new ATOM 0 HA PHE A 70 -1.772 -3.059 -5.728 1.00 54.44 H new ATOM 0 HB2 PHE A 70 -2.187 -0.917 -4.701 1.00 72.43 H new ATOM 0 HB3 PHE A 70 -3.198 -2.106 -3.904 1.00 72.43 H new ATOM 0 HD1 PHE A 70 -2.594 -2.902 -1.595 1.00 31.41 H new ATOM 0 HD2 PHE A 70 -0.504 0.295 -3.492 1.00 34.32 H new ATOM 0 HE1 PHE A 70 -1.684 -2.203 0.578 1.00 42.31 H new ATOM 0 HE2 PHE A 70 0.401 0.993 -1.317 1.00 25.14 H new ATOM 0 HZ PHE A 70 -0.190 -0.252 0.719 1.00 73.41 H new ATOM 1088 N PRO A 71 0.493 -1.849 -5.952 1.00 73.41 N ATOM 1089 CA PRO A 71 1.868 -1.361 -6.138 1.00 61.51 C ATOM 1090 C PRO A 71 2.242 -0.245 -5.142 1.00 34.52 C ATOM 1091 O PRO A 71 2.015 0.942 -5.397 1.00 71.32 O ATOM 1092 CB PRO A 71 1.883 -0.843 -7.592 1.00 75.12 C ATOM 1093 CG PRO A 71 0.639 -1.390 -8.223 1.00 15.14 C ATOM 1094 CD PRO A 71 -0.361 -1.527 -7.107 1.00 61.23 C ATOM 0 HA PRO A 71 2.603 -2.145 -5.955 1.00 61.51 H new ATOM 0 HB2 PRO A 71 1.891 0.247 -7.621 1.00 75.12 H new ATOM 0 HB3 PRO A 71 2.774 -1.183 -8.121 1.00 75.12 H new ATOM 0 HG2 PRO A 71 0.268 -0.722 -9.000 1.00 15.14 H new ATOM 0 HG3 PRO A 71 0.831 -2.353 -8.696 1.00 15.14 H new ATOM 0 HD2 PRO A 71 -0.924 -0.607 -6.951 1.00 61.23 H new ATOM 0 HD3 PRO A 71 -1.087 -2.315 -7.307 1.00 61.23 H new ATOM 1102 N GLY A 72 2.819 -0.639 -4.005 1.00 11.10 N ATOM 1103 CA GLY A 72 3.177 0.314 -2.956 1.00 42.15 C ATOM 1104 C GLY A 72 4.289 1.282 -3.358 1.00 53.20 C ATOM 1105 O GLY A 72 4.568 2.245 -2.645 1.00 54.51 O ATOM 0 H GLY A 72 3.047 -1.609 -3.789 1.00 11.10 H new ATOM 0 HA2 GLY A 72 2.291 0.886 -2.680 1.00 42.15 H new ATOM 0 HA3 GLY A 72 3.490 -0.237 -2.069 1.00 42.15 H new ATOM 1109 N THR A 73 4.931 1.026 -4.496 1.00 41.41 N ATOM 1110 CA THR A 73 5.966 1.930 -5.017 1.00 53.40 C ATOM 1111 C THR A 73 5.395 3.328 -5.320 1.00 22.03 C ATOM 1112 O THR A 73 6.091 4.337 -5.194 1.00 51.33 O ATOM 1113 CB THR A 73 6.629 1.361 -6.303 1.00 74.30 C ATOM 1114 OG1 THR A 73 7.166 0.052 -6.046 1.00 71.43 O ATOM 1115 CG2 THR A 73 7.748 2.274 -6.805 1.00 33.22 C ATOM 0 H THR A 73 4.757 0.205 -5.076 1.00 41.41 H new ATOM 0 HA THR A 73 6.722 2.016 -4.237 1.00 53.40 H new ATOM 0 HB THR A 73 5.859 1.301 -7.072 1.00 74.30 H new ATOM 0 HG1 THR A 73 7.580 -0.298 -6.863 1.00 71.43 H new ATOM 0 HG21 THR A 73 8.190 1.847 -7.705 1.00 33.22 H new ATOM 0 HG22 THR A 73 7.339 3.258 -7.034 1.00 33.22 H new ATOM 0 HG23 THR A 73 8.513 2.369 -6.035 1.00 33.22 H new ATOM 1123 N TYR A 74 4.115 3.379 -5.684 1.00 64.43 N ATOM 1124 CA TYR A 74 3.475 4.634 -6.111 1.00 52.12 C ATOM 1125 C TYR A 74 2.761 5.368 -4.960 1.00 63.31 C ATOM 1126 O TYR A 74 2.099 6.383 -5.189 1.00 22.11 O ATOM 1127 CB TYR A 74 2.456 4.353 -7.217 1.00 44.14 C ATOM 1128 CG TYR A 74 3.026 3.680 -8.450 1.00 22.35 C ATOM 1129 CD1 TYR A 74 3.966 4.322 -9.249 1.00 5.13 C ATOM 1130 CD2 TYR A 74 2.613 2.406 -8.823 1.00 72.44 C ATOM 1131 CE1 TYR A 74 4.474 3.715 -10.381 1.00 20.02 C ATOM 1132 CE2 TYR A 74 3.113 1.795 -9.955 1.00 24.13 C ATOM 1133 CZ TYR A 74 4.044 2.452 -10.730 1.00 10.35 C ATOM 1134 OH TYR A 74 4.540 1.847 -11.864 1.00 23.43 O ATOM 0 H TYR A 74 3.496 2.569 -5.694 1.00 64.43 H new ATOM 0 HA TYR A 74 4.276 5.279 -6.473 1.00 52.12 H new ATOM 0 HB2 TYR A 74 1.664 3.724 -6.811 1.00 44.14 H new ATOM 0 HB3 TYR A 74 1.995 5.295 -7.515 1.00 44.14 H new ATOM 0 HD1 TYR A 74 4.304 5.312 -8.980 1.00 5.13 H new ATOM 0 HD2 TYR A 74 1.888 1.885 -8.216 1.00 72.44 H new ATOM 0 HE1 TYR A 74 5.204 4.227 -10.990 1.00 20.02 H new ATOM 0 HE2 TYR A 74 2.776 0.807 -10.232 1.00 24.13 H new ATOM 0 HH TYR A 74 4.135 0.960 -11.965 1.00 23.43 H new ATOM 1144 N VAL A 75 2.876 4.865 -3.732 1.00 40.32 N ATOM 1145 CA VAL A 75 2.174 5.472 -2.591 1.00 51.53 C ATOM 1146 C VAL A 75 3.139 6.204 -1.646 1.00 51.55 C ATOM 1147 O VAL A 75 4.319 5.856 -1.543 1.00 61.33 O ATOM 1148 CB VAL A 75 1.360 4.421 -1.782 1.00 32.40 C ATOM 1149 CG1 VAL A 75 0.397 3.665 -2.694 1.00 24.14 C ATOM 1150 CG2 VAL A 75 2.276 3.453 -1.037 1.00 73.42 C ATOM 0 H VAL A 75 3.441 4.048 -3.498 1.00 40.32 H new ATOM 0 HA VAL A 75 1.482 6.198 -3.018 1.00 51.53 H new ATOM 0 HB VAL A 75 0.776 4.959 -1.035 1.00 32.40 H new ATOM 0 HG11 VAL A 75 -0.162 2.935 -2.108 1.00 24.14 H new ATOM 0 HG12 VAL A 75 -0.297 4.369 -3.154 1.00 24.14 H new ATOM 0 HG13 VAL A 75 0.961 3.150 -3.472 1.00 24.14 H new ATOM 0 HG21 VAL A 75 1.672 2.734 -0.483 1.00 73.42 H new ATOM 0 HG22 VAL A 75 2.905 2.924 -1.753 1.00 73.42 H new ATOM 0 HG23 VAL A 75 2.905 4.009 -0.342 1.00 73.42 H new ATOM 1160 N GLU A 76 2.629 7.234 -0.976 1.00 30.40 N ATOM 1161 CA GLU A 76 3.399 7.975 0.028 1.00 61.52 C ATOM 1162 C GLU A 76 2.988 7.553 1.448 1.00 54.32 C ATOM 1163 O GLU A 76 1.892 7.029 1.658 1.00 72.23 O ATOM 1164 CB GLU A 76 3.186 9.487 -0.147 1.00 15.33 C ATOM 1165 CG GLU A 76 1.746 9.945 0.079 1.00 73.42 C ATOM 1166 CD GLU A 76 1.597 11.459 0.046 1.00 42.32 C ATOM 1167 OE1 GLU A 76 2.186 12.131 0.916 1.00 13.11 O ATOM 1168 OE2 GLU A 76 0.902 11.983 -0.850 1.00 54.21 O ATOM 0 H GLU A 76 1.678 7.579 -1.109 1.00 30.40 H new ATOM 0 HA GLU A 76 4.455 7.744 -0.114 1.00 61.52 H new ATOM 0 HB2 GLU A 76 3.838 10.017 0.547 1.00 15.33 H new ATOM 0 HB3 GLU A 76 3.493 9.772 -1.153 1.00 15.33 H new ATOM 0 HG2 GLU A 76 1.105 9.505 -0.685 1.00 73.42 H new ATOM 0 HG3 GLU A 76 1.397 9.571 1.042 1.00 73.42 H new ATOM 1175 N PHE A 77 3.863 7.783 2.421 1.00 23.12 N ATOM 1176 CA PHE A 77 3.581 7.411 3.812 1.00 15.12 C ATOM 1177 C PHE A 77 2.876 8.554 4.563 1.00 43.41 C ATOM 1178 O PHE A 77 3.372 9.682 4.610 1.00 63.25 O ATOM 1179 CB PHE A 77 4.886 7.022 4.522 1.00 63.24 C ATOM 1180 CG PHE A 77 4.699 6.522 5.936 1.00 20.24 C ATOM 1181 CD1 PHE A 77 4.054 5.316 6.181 1.00 73.33 C ATOM 1182 CD2 PHE A 77 5.171 7.254 7.019 1.00 74.23 C ATOM 1183 CE1 PHE A 77 3.886 4.852 7.472 1.00 54.21 C ATOM 1184 CE2 PHE A 77 5.006 6.792 8.311 1.00 74.30 C ATOM 1185 CZ PHE A 77 4.363 5.589 8.538 1.00 52.41 C ATOM 0 H PHE A 77 4.772 8.223 2.278 1.00 23.12 H new ATOM 0 HA PHE A 77 2.908 6.554 3.809 1.00 15.12 H new ATOM 0 HB2 PHE A 77 5.387 6.249 3.939 1.00 63.24 H new ATOM 0 HB3 PHE A 77 5.548 7.887 4.540 1.00 63.24 H new ATOM 0 HD1 PHE A 77 3.679 4.734 5.352 1.00 73.33 H new ATOM 0 HD2 PHE A 77 5.673 8.195 6.849 1.00 74.23 H new ATOM 0 HE1 PHE A 77 3.382 3.913 7.647 1.00 54.21 H new ATOM 0 HE2 PHE A 77 5.379 7.370 9.143 1.00 74.30 H new ATOM 0 HZ PHE A 77 4.234 5.226 9.547 1.00 52.41 H new ATOM 1195 N LEU A 78 1.708 8.263 5.135 1.00 34.22 N ATOM 1196 CA LEU A 78 0.954 9.258 5.913 1.00 42.40 C ATOM 1197 C LEU A 78 1.290 9.164 7.409 1.00 70.04 C ATOM 1198 O LEU A 78 1.496 10.180 8.082 1.00 3.23 O ATOM 1199 CB LEU A 78 -0.556 9.065 5.709 1.00 13.22 C ATOM 1200 CG LEU A 78 -1.055 9.218 4.263 1.00 44.52 C ATOM 1201 CD1 LEU A 78 -2.568 9.019 4.189 1.00 14.32 C ATOM 1202 CD2 LEU A 78 -0.655 10.580 3.692 1.00 25.25 C ATOM 0 H LEU A 78 1.260 7.349 5.077 1.00 34.22 H new ATOM 0 HA LEU A 78 1.242 10.247 5.556 1.00 42.40 H new ATOM 0 HB2 LEU A 78 -0.829 8.072 6.065 1.00 13.22 H new ATOM 0 HB3 LEU A 78 -1.084 9.784 6.335 1.00 13.22 H new ATOM 0 HG LEU A 78 -0.582 8.446 3.656 1.00 44.52 H new ATOM 0 HD11 LEU A 78 -2.900 9.132 3.157 1.00 14.32 H new ATOM 0 HD12 LEU A 78 -2.821 8.020 4.545 1.00 14.32 H new ATOM 0 HD13 LEU A 78 -3.064 9.763 4.813 1.00 14.32 H new ATOM 0 HD21 LEU A 78 -1.018 10.666 2.668 1.00 25.25 H new ATOM 0 HD22 LEU A 78 -1.092 11.372 4.300 1.00 25.25 H new ATOM 0 HD23 LEU A 78 0.431 10.673 3.701 1.00 25.25 H new ATOM 1214 N GLY A 79 1.326 7.939 7.929 1.00 5.50 N ATOM 1215 CA GLY A 79 1.666 7.726 9.330 1.00 52.53 C ATOM 1216 C GLY A 79 0.930 6.550 9.962 1.00 35.31 C ATOM 1217 O GLY A 79 0.096 5.910 9.320 1.00 51.24 O ATOM 0 H GLY A 79 1.126 7.087 7.405 1.00 5.50 H new ATOM 0 HA2 GLY A 79 2.740 7.560 9.414 1.00 52.53 H new ATOM 0 HA3 GLY A 79 1.439 8.631 9.893 1.00 52.53 H new ATOM 1221 N PRO A 80 1.239 6.232 11.231 1.00 55.11 N ATOM 1222 CA PRO A 80 0.554 5.170 11.975 1.00 73.24 C ATOM 1223 C PRO A 80 -0.752 5.652 12.631 1.00 11.44 C ATOM 1224 O PRO A 80 -1.078 6.841 12.604 1.00 22.43 O ATOM 1225 CB PRO A 80 1.586 4.801 13.043 1.00 14.44 C ATOM 1226 CG PRO A 80 2.294 6.084 13.332 1.00 61.33 C ATOM 1227 CD PRO A 80 2.295 6.874 12.042 1.00 61.31 C ATOM 0 HA PRO A 80 0.250 4.343 11.334 1.00 73.24 H new ATOM 0 HB2 PRO A 80 1.108 4.401 13.937 1.00 14.44 H new ATOM 0 HB3 PRO A 80 2.276 4.038 12.682 1.00 14.44 H new ATOM 0 HG2 PRO A 80 1.789 6.636 14.125 1.00 61.33 H new ATOM 0 HG3 PRO A 80 3.312 5.897 13.673 1.00 61.33 H new ATOM 0 HD2 PRO A 80 2.078 7.928 12.219 1.00 61.31 H new ATOM 0 HD3 PRO A 80 3.264 6.827 11.545 1.00 61.31 H new ATOM 1235 N LEU A 81 -1.490 4.722 13.223 1.00 53.52 N ATOM 1236 CA LEU A 81 -2.729 5.042 13.941 1.00 34.41 C ATOM 1237 C LEU A 81 -2.641 4.577 15.404 1.00 32.14 C ATOM 1238 O LEU A 81 -2.248 3.438 15.671 1.00 70.13 O ATOM 1239 CB LEU A 81 -3.950 4.403 13.241 1.00 24.00 C ATOM 1240 CG LEU A 81 -3.657 3.150 12.387 1.00 20.34 C ATOM 1241 CD1 LEU A 81 -4.873 2.231 12.326 1.00 5.11 C ATOM 1242 CD2 LEU A 81 -3.231 3.543 10.970 1.00 71.10 C ATOM 0 H LEU A 81 -1.254 3.730 13.223 1.00 53.52 H new ATOM 0 HA LEU A 81 -2.858 6.124 13.930 1.00 34.41 H new ATOM 0 HB2 LEU A 81 -4.683 4.137 14.002 1.00 24.00 H new ATOM 0 HB3 LEU A 81 -4.413 5.155 12.602 1.00 24.00 H new ATOM 0 HG LEU A 81 -2.838 2.612 12.864 1.00 20.34 H new ATOM 0 HD11 LEU A 81 -4.638 1.357 11.718 1.00 5.11 H new ATOM 0 HD12 LEU A 81 -5.139 1.912 13.334 1.00 5.11 H new ATOM 0 HD13 LEU A 81 -5.712 2.767 11.882 1.00 5.11 H new ATOM 0 HD21 LEU A 81 -3.030 2.644 10.388 1.00 71.10 H new ATOM 0 HD22 LEU A 81 -4.030 4.112 10.495 1.00 71.10 H new ATOM 0 HD23 LEU A 81 -2.329 4.153 11.017 1.00 71.10 H new