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= 0.217 K(o=1,f=-8.1!) USER MOD Set 1.2: A 64 THR OG1 : rot -68:sc= 0.793 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 9 TYR OH : rot -172:sc= 0.463 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= -0.03 X(o=-0.03,f=-0.094) USER MOD Single : A 50 CYS SG : rot 180:sc= -0.0725 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 133:sc= -0.415 (180deg=-2.22) USER MOD Single : A 66 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.086) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLY A 6 0.139 -0.978 12.311 1.00 35.44 N ATOM 67 CA GLY A 6 -0.084 -0.718 10.889 1.00 1.13 C ATOM 68 C GLY A 6 0.281 0.699 10.462 1.00 0.10 C ATOM 69 O GLY A 6 0.505 1.574 11.302 1.00 12.25 O ATOM 0 HA2 GLY A 6 0.501 -1.427 10.303 1.00 1.13 H new ATOM 0 HA3 GLY A 6 -1.133 -0.900 10.655 1.00 1.13 H new ATOM 73 N PHE A 7 0.336 0.931 9.152 1.00 4.54 N ATOM 74 CA PHE A 7 0.695 2.249 8.608 1.00 64.10 C ATOM 75 C PHE A 7 -0.290 2.696 7.516 1.00 71.43 C ATOM 76 O PHE A 7 -0.986 1.876 6.913 1.00 43.44 O ATOM 77 CB PHE A 7 2.123 2.218 8.044 1.00 32.41 C ATOM 78 CG PHE A 7 3.162 1.809 9.060 1.00 4.51 C ATOM 79 CD1 PHE A 7 3.602 2.706 10.024 1.00 51.44 C ATOM 80 CD2 PHE A 7 3.691 0.526 9.056 1.00 12.54 C ATOM 81 CE1 PHE A 7 4.548 2.331 10.958 1.00 22.15 C ATOM 82 CE2 PHE A 7 4.637 0.150 9.990 1.00 64.13 C ATOM 83 CZ PHE A 7 5.066 1.052 10.941 1.00 1.41 C ATOM 0 H PHE A 7 0.137 0.225 8.443 1.00 4.54 H new ATOM 0 HA PHE A 7 0.643 2.970 9.424 1.00 64.10 H new ATOM 0 HB2 PHE A 7 2.158 1.527 7.202 1.00 32.41 H new ATOM 0 HB3 PHE A 7 2.374 3.205 7.657 1.00 32.41 H new ATOM 0 HD1 PHE A 7 3.200 3.708 10.044 1.00 51.44 H new ATOM 0 HD2 PHE A 7 3.360 -0.186 8.315 1.00 12.54 H new ATOM 0 HE1 PHE A 7 4.882 3.039 11.702 1.00 22.15 H new ATOM 0 HE2 PHE A 7 5.041 -0.851 9.975 1.00 64.13 H new ATOM 0 HZ PHE A 7 5.806 0.758 11.671 1.00 1.41 H new ATOM 93 N GLN A 8 -0.345 4.005 7.272 1.00 3.21 N ATOM 94 CA GLN A 8 -1.259 4.579 6.275 1.00 34.21 C ATOM 95 C GLN A 8 -0.493 5.220 5.105 1.00 72.41 C ATOM 96 O GLN A 8 0.432 6.012 5.309 1.00 51.34 O ATOM 97 CB GLN A 8 -2.170 5.622 6.942 1.00 61.44 C ATOM 98 CG GLN A 8 -3.036 5.048 8.059 1.00 52.12 C ATOM 99 CD GLN A 8 -3.933 6.087 8.714 1.00 34.12 C ATOM 100 OE1 GLN A 8 -3.601 7.266 8.777 1.00 60.51 O ATOM 101 NE2 GLN A 8 -5.076 5.658 9.209 1.00 12.54 N ATOM 0 H GLN A 8 0.234 4.694 7.752 1.00 3.21 H new ATOM 0 HA GLN A 8 -1.865 3.769 5.870 1.00 34.21 H new ATOM 0 HB2 GLN A 8 -1.554 6.425 7.347 1.00 61.44 H new ATOM 0 HB3 GLN A 8 -2.816 6.066 6.184 1.00 61.44 H new ATOM 0 HG2 GLN A 8 -3.654 4.246 7.655 1.00 52.12 H new ATOM 0 HG3 GLN A 8 -2.392 4.603 8.817 1.00 52.12 H new ATOM 0 HE21 GLN A 8 -5.323 4.671 9.140 1.00 12.54 H new ATOM 0 HE22 GLN A 8 -5.714 6.313 9.661 1.00 12.54 H new ATOM 110 N TYR A 9 -0.885 4.867 3.881 1.00 42.13 N ATOM 111 CA TYR A 9 -0.264 5.410 2.665 1.00 0.24 C ATOM 112 C TYR A 9 -1.319 6.085 1.773 1.00 10.34 C ATOM 113 O TYR A 9 -2.464 5.653 1.736 1.00 52.24 O ATOM 114 CB TYR A 9 0.428 4.286 1.876 1.00 10.42 C ATOM 115 CG TYR A 9 1.418 3.472 2.693 1.00 63.14 C ATOM 116 CD1 TYR A 9 1.004 2.350 3.403 1.00 42.25 C ATOM 117 CD2 TYR A 9 2.763 3.825 2.755 1.00 63.21 C ATOM 118 CE1 TYR A 9 1.898 1.606 4.148 1.00 40.41 C ATOM 119 CE2 TYR A 9 3.662 3.083 3.499 1.00 34.23 C ATOM 120 CZ TYR A 9 3.224 1.976 4.193 1.00 1.23 C ATOM 121 OH TYR A 9 4.113 1.234 4.935 1.00 33.52 O ATOM 0 H TYR A 9 -1.637 4.201 3.701 1.00 42.13 H new ATOM 0 HA TYR A 9 0.476 6.153 2.963 1.00 0.24 H new ATOM 0 HB2 TYR A 9 -0.333 3.616 1.475 1.00 10.42 H new ATOM 0 HB3 TYR A 9 0.949 4.723 1.024 1.00 10.42 H new ATOM 0 HD1 TYR A 9 -0.035 2.055 3.371 1.00 42.25 H new ATOM 0 HD2 TYR A 9 3.110 4.692 2.213 1.00 63.21 H new ATOM 0 HE1 TYR A 9 1.559 0.738 4.693 1.00 40.41 H new ATOM 0 HE2 TYR A 9 4.703 3.370 3.536 1.00 34.23 H new ATOM 0 HH TYR A 9 4.978 1.693 4.963 1.00 33.52 H new ATOM 131 N ARG A 10 -0.939 7.143 1.061 1.00 4.24 N ATOM 132 CA ARG A 10 -1.867 7.819 0.141 1.00 43.11 C ATOM 133 C ARG A 10 -1.552 7.478 -1.323 1.00 31.44 C ATOM 134 O ARG A 10 -0.419 7.642 -1.779 1.00 14.12 O ATOM 135 CB ARG A 10 -1.820 9.342 0.338 1.00 41.15 C ATOM 136 CG ARG A 10 -2.833 10.102 -0.520 1.00 53.12 C ATOM 137 CD ARG A 10 -2.769 11.612 -0.292 1.00 42.52 C ATOM 138 NE ARG A 10 -1.477 12.180 -0.679 1.00 71.53 N ATOM 139 CZ ARG A 10 -1.328 13.152 -1.537 1.00 43.44 C ATOM 140 NH1 ARG A 10 -2.350 13.676 -2.132 1.00 32.13 N ATOM 141 NH2 ARG A 10 -0.148 13.605 -1.802 1.00 34.11 N ATOM 0 H ARG A 10 -0.005 7.552 1.098 1.00 4.24 H new ATOM 0 HA ARG A 10 -2.870 7.460 0.372 1.00 43.11 H new ATOM 0 HB2 ARG A 10 -2.002 9.570 1.388 1.00 41.15 H new ATOM 0 HB3 ARG A 10 -0.817 9.699 0.104 1.00 41.15 H new ATOM 0 HG2 ARG A 10 -2.648 9.888 -1.573 1.00 53.12 H new ATOM 0 HG3 ARG A 10 -3.838 9.745 -0.294 1.00 53.12 H new ATOM 0 HD2 ARG A 10 -3.561 12.097 -0.862 1.00 42.52 H new ATOM 0 HD3 ARG A 10 -2.957 11.826 0.760 1.00 42.52 H new ATOM 0 HE ARG A 10 -0.638 11.791 -0.250 1.00 71.53 H new ATOM 0 HH11 ARG A 10 -3.289 13.330 -1.933 1.00 32.13 H new ATOM 0 HH12 ARG A 10 -2.217 14.435 -2.800 1.00 32.13 H new ATOM 0 HH21 ARG A 10 0.668 13.203 -1.341 1.00 34.11 H new ATOM 0 HH22 ARG A 10 -0.032 14.365 -2.473 1.00 34.11 H new ATOM 155 N ALA A 11 -2.561 7.011 -2.056 1.00 32.44 N ATOM 156 CA ALA A 11 -2.411 6.700 -3.480 1.00 20.13 C ATOM 157 C ALA A 11 -2.335 7.984 -4.321 1.00 62.04 C ATOM 158 O ALA A 11 -3.297 8.751 -4.397 1.00 22.32 O ATOM 159 CB ALA A 11 -3.561 5.819 -3.954 1.00 2.31 C ATOM 0 H ALA A 11 -3.496 6.838 -1.687 1.00 32.44 H new ATOM 0 HA ALA A 11 -1.476 6.156 -3.612 1.00 20.13 H new ATOM 0 HB1 ALA A 11 -3.436 5.596 -5.014 1.00 2.31 H new ATOM 0 HB2 ALA A 11 -3.565 4.889 -3.386 1.00 2.31 H new ATOM 0 HB3 ALA A 11 -4.506 6.341 -3.802 1.00 2.31 H new ATOM 165 N LEU A 12 -1.186 8.211 -4.945 1.00 42.24 N ATOM 166 CA LEU A 12 -0.955 9.410 -5.756 1.00 34.34 C ATOM 167 C LEU A 12 -1.769 9.391 -7.060 1.00 72.22 C ATOM 168 O LEU A 12 -2.606 10.266 -7.294 1.00 35.51 O ATOM 169 CB LEU A 12 0.541 9.539 -6.079 1.00 22.43 C ATOM 170 CG LEU A 12 1.468 9.640 -4.857 1.00 4.03 C ATOM 171 CD1 LEU A 12 2.928 9.738 -5.290 1.00 42.11 C ATOM 172 CD2 LEU A 12 1.082 10.832 -3.988 1.00 1.52 C ATOM 0 H LEU A 12 -0.389 7.576 -4.907 1.00 42.24 H new ATOM 0 HA LEU A 12 -1.286 10.270 -5.174 1.00 34.34 H new ATOM 0 HB2 LEU A 12 0.843 8.677 -6.674 1.00 22.43 H new ATOM 0 HB3 LEU A 12 0.687 10.423 -6.700 1.00 22.43 H new ATOM 0 HG LEU A 12 1.351 8.732 -4.265 1.00 4.03 H new ATOM 0 HD11 LEU A 12 3.565 9.809 -4.408 1.00 42.11 H new ATOM 0 HD12 LEU A 12 3.198 8.851 -5.863 1.00 42.11 H new ATOM 0 HD13 LEU A 12 3.065 10.625 -5.909 1.00 42.11 H new ATOM 0 HD21 LEU A 12 1.750 10.887 -3.128 1.00 1.52 H new ATOM 0 HD22 LEU A 12 1.165 11.749 -4.571 1.00 1.52 H new ATOM 0 HD23 LEU A 12 0.055 10.713 -3.643 1.00 1.52 H new ATOM 184 N TYR A 13 -1.519 8.393 -7.905 1.00 3.12 N ATOM 185 CA TYR A 13 -2.164 8.303 -9.220 1.00 1.04 C ATOM 186 C TYR A 13 -2.804 6.922 -9.426 1.00 51.45 C ATOM 187 O TYR A 13 -2.297 5.917 -8.927 1.00 61.04 O ATOM 188 CB TYR A 13 -1.136 8.585 -10.329 1.00 35.33 C ATOM 189 CG TYR A 13 -0.383 9.889 -10.127 1.00 65.40 C ATOM 190 CD1 TYR A 13 -0.972 11.109 -10.439 1.00 51.12 C ATOM 191 CD2 TYR A 13 0.908 9.898 -9.605 1.00 62.14 C ATOM 192 CE1 TYR A 13 -0.299 12.299 -10.236 1.00 25.12 C ATOM 193 CE2 TYR A 13 1.587 11.084 -9.403 1.00 51.32 C ATOM 194 CZ TYR A 13 0.980 12.280 -9.720 1.00 13.12 C ATOM 195 OH TYR A 13 1.655 13.465 -9.510 1.00 64.01 O ATOM 0 H TYR A 13 -0.872 7.631 -7.704 1.00 3.12 H new ATOM 0 HA TYR A 13 -2.955 9.052 -9.267 1.00 1.04 H new ATOM 0 HB2 TYR A 13 -0.422 7.763 -10.371 1.00 35.33 H new ATOM 0 HB3 TYR A 13 -1.647 8.613 -11.291 1.00 35.33 H new ATOM 0 HD1 TYR A 13 -1.972 11.127 -10.847 1.00 51.12 H new ATOM 0 HD2 TYR A 13 1.386 8.963 -9.354 1.00 62.14 H new ATOM 0 HE1 TYR A 13 -0.772 13.239 -10.480 1.00 25.12 H new ATOM 0 HE2 TYR A 13 2.588 11.074 -8.999 1.00 51.32 H new ATOM 0 HH TYR A 13 2.543 13.275 -9.141 1.00 64.01 H new ATOM 205 N PRO A 14 -3.930 6.850 -10.166 1.00 3.05 N ATOM 206 CA PRO A 14 -4.642 5.583 -10.387 1.00 15.54 C ATOM 207 C PRO A 14 -3.861 4.602 -11.281 1.00 34.12 C ATOM 208 O PRO A 14 -3.552 4.902 -12.438 1.00 2.24 O ATOM 209 CB PRO A 14 -5.951 6.017 -11.063 1.00 30.20 C ATOM 210 CG PRO A 14 -5.629 7.322 -11.715 1.00 52.32 C ATOM 211 CD PRO A 14 -4.590 7.984 -10.845 1.00 40.20 C ATOM 0 HA PRO A 14 -4.791 5.039 -9.454 1.00 15.54 H new ATOM 0 HB2 PRO A 14 -6.282 5.280 -11.795 1.00 30.20 H new ATOM 0 HB3 PRO A 14 -6.755 6.126 -10.335 1.00 30.20 H new ATOM 0 HG2 PRO A 14 -5.250 7.169 -12.725 1.00 52.32 H new ATOM 0 HG3 PRO A 14 -6.520 7.945 -11.800 1.00 52.32 H new ATOM 0 HD2 PRO A 14 -3.882 8.564 -11.437 1.00 40.20 H new ATOM 0 HD3 PRO A 14 -5.044 8.670 -10.130 1.00 40.20 H new ATOM 219 N PHE A 15 -3.545 3.433 -10.734 1.00 50.54 N ATOM 220 CA PHE A 15 -2.845 2.383 -11.480 1.00 41.12 C ATOM 221 C PHE A 15 -3.768 1.178 -11.704 1.00 64.24 C ATOM 222 O PHE A 15 -4.116 0.462 -10.759 1.00 23.34 O ATOM 223 CB PHE A 15 -1.579 1.950 -10.724 1.00 53.35 C ATOM 224 CG PHE A 15 -0.777 0.882 -11.433 1.00 61.35 C ATOM 225 CD1 PHE A 15 0.158 1.221 -12.401 1.00 12.14 C ATOM 226 CD2 PHE A 15 -0.958 -0.463 -11.128 1.00 42.21 C ATOM 227 CE1 PHE A 15 0.893 0.246 -13.048 1.00 53.34 C ATOM 228 CE2 PHE A 15 -0.226 -1.441 -11.775 1.00 51.34 C ATOM 229 CZ PHE A 15 0.701 -1.087 -12.734 1.00 3.13 C ATOM 0 H PHE A 15 -3.763 3.184 -9.769 1.00 50.54 H new ATOM 0 HA PHE A 15 -2.555 2.782 -12.452 1.00 41.12 H new ATOM 0 HB2 PHE A 15 -0.945 2.823 -10.567 1.00 53.35 H new ATOM 0 HB3 PHE A 15 -1.864 1.582 -9.738 1.00 53.35 H new ATOM 0 HD1 PHE A 15 0.313 2.260 -12.652 1.00 12.14 H new ATOM 0 HD2 PHE A 15 -1.680 -0.747 -10.376 1.00 42.21 H new ATOM 0 HE1 PHE A 15 1.617 0.525 -13.799 1.00 53.34 H new ATOM 0 HE2 PHE A 15 -0.380 -2.482 -11.530 1.00 51.34 H new ATOM 0 HZ PHE A 15 1.276 -1.850 -13.238 1.00 3.13 H new ATOM 367 N LEU A 23 -4.786 -5.337 -6.247 1.00 30.13 N ATOM 368 CA LEU A 23 -5.486 -4.124 -5.795 1.00 55.32 C ATOM 369 C LEU A 23 -5.374 -2.986 -6.820 1.00 63.51 C ATOM 370 O LEU A 23 -4.284 -2.687 -7.318 1.00 12.40 O ATOM 371 CB LEU A 23 -4.921 -3.661 -4.447 1.00 64.15 C ATOM 372 CG LEU A 23 -5.697 -2.527 -3.758 1.00 40.11 C ATOM 373 CD1 LEU A 23 -7.137 -2.955 -3.475 1.00 33.04 C ATOM 374 CD2 LEU A 23 -4.996 -2.105 -2.467 1.00 4.12 C ATOM 0 HA LEU A 23 -6.541 -4.376 -5.685 1.00 55.32 H new ATOM 0 HB2 LEU A 23 -4.889 -4.517 -3.773 1.00 64.15 H new ATOM 0 HB3 LEU A 23 -3.892 -3.334 -4.597 1.00 64.15 H new ATOM 0 HG LEU A 23 -5.722 -1.669 -4.430 1.00 40.11 H new ATOM 0 HD11 LEU A 23 -7.670 -2.139 -2.987 1.00 33.04 H new ATOM 0 HD12 LEU A 23 -7.634 -3.203 -4.413 1.00 33.04 H new ATOM 0 HD13 LEU A 23 -7.135 -3.828 -2.823 1.00 33.04 H new ATOM 0 HD21 LEU A 23 -5.560 -1.301 -1.993 1.00 4.12 H new ATOM 0 HD22 LEU A 23 -4.938 -2.957 -1.789 1.00 4.12 H new ATOM 0 HD23 LEU A 23 -3.989 -1.756 -2.697 1.00 4.12 H new ATOM 386 N GLU A 24 -6.506 -2.356 -7.123 1.00 13.44 N ATOM 387 CA GLU A 24 -6.561 -1.245 -8.084 1.00 1.44 C ATOM 388 C GLU A 24 -6.504 0.104 -7.336 1.00 4.23 C ATOM 389 O GLU A 24 -7.077 0.243 -6.253 1.00 73.31 O ATOM 390 CB GLU A 24 -7.852 -1.377 -8.919 1.00 51.53 C ATOM 391 CG GLU A 24 -7.746 -0.884 -10.361 1.00 33.43 C ATOM 392 CD GLU A 24 -7.917 0.618 -10.509 1.00 24.15 C ATOM 393 OE1 GLU A 24 -9.078 1.081 -10.581 1.00 45.21 O ATOM 394 OE2 GLU A 24 -6.903 1.336 -10.586 1.00 21.43 O ATOM 0 H GLU A 24 -7.409 -2.595 -6.715 1.00 13.44 H new ATOM 0 HA GLU A 24 -5.703 -1.282 -8.756 1.00 1.44 H new ATOM 0 HB2 GLU A 24 -8.153 -2.425 -8.931 1.00 51.53 H new ATOM 0 HB3 GLU A 24 -8.647 -0.823 -8.420 1.00 51.53 H new ATOM 0 HG2 GLU A 24 -6.774 -1.171 -10.763 1.00 33.43 H new ATOM 0 HG3 GLU A 24 -8.502 -1.388 -10.964 1.00 33.43 H new ATOM 401 N LEU A 25 -5.816 1.097 -7.905 1.00 41.20 N ATOM 402 CA LEU A 25 -5.520 2.341 -7.171 1.00 11.34 C ATOM 403 C LEU A 25 -6.387 3.530 -7.615 1.00 61.35 C ATOM 404 O LEU A 25 -6.579 3.778 -8.807 1.00 32.15 O ATOM 405 CB LEU A 25 -4.035 2.702 -7.316 1.00 14.21 C ATOM 406 CG LEU A 25 -3.048 1.680 -6.724 1.00 43.51 C ATOM 407 CD1 LEU A 25 -1.609 2.170 -6.870 1.00 21.41 C ATOM 408 CD2 LEU A 25 -3.378 1.393 -5.259 1.00 24.02 C ATOM 0 H LEU A 25 -5.455 1.071 -8.859 1.00 41.20 H new ATOM 0 HA LEU A 25 -5.760 2.145 -6.126 1.00 11.34 H new ATOM 0 HB2 LEU A 25 -3.810 2.828 -8.375 1.00 14.21 H new ATOM 0 HB3 LEU A 25 -3.864 3.666 -6.838 1.00 14.21 H new ATOM 0 HG LEU A 25 -3.147 0.749 -7.282 1.00 43.51 H new ATOM 0 HD11 LEU A 25 -0.929 1.432 -6.445 1.00 21.41 H new ATOM 0 HD12 LEU A 25 -1.378 2.311 -7.926 1.00 21.41 H new ATOM 0 HD13 LEU A 25 -1.492 3.117 -6.344 1.00 21.41 H new ATOM 0 HD21 LEU A 25 -2.668 0.668 -4.861 1.00 24.02 H new ATOM 0 HD22 LEU A 25 -3.314 2.317 -4.684 1.00 24.02 H new ATOM 0 HD23 LEU A 25 -4.388 0.989 -5.186 1.00 24.02 H new ATOM 420 N LEU A 26 -6.903 4.270 -6.632 1.00 13.24 N ATOM 421 CA LEU A 26 -7.668 5.501 -6.878 1.00 13.52 C ATOM 422 C LEU A 26 -6.886 6.730 -6.385 1.00 51.14 C ATOM 423 O LEU A 26 -6.285 6.699 -5.311 1.00 64.53 O ATOM 424 CB LEU A 26 -9.042 5.440 -6.179 1.00 61.14 C ATOM 425 CG LEU A 26 -10.119 4.588 -6.880 1.00 2.43 C ATOM 426 CD1 LEU A 26 -10.447 5.159 -8.258 1.00 54.34 C ATOM 427 CD2 LEU A 26 -9.685 3.129 -6.988 1.00 60.00 C ATOM 0 H LEU A 26 -6.805 4.036 -5.644 1.00 13.24 H new ATOM 0 HA LEU A 26 -7.826 5.590 -7.953 1.00 13.52 H new ATOM 0 HB2 LEU A 26 -8.898 5.051 -5.171 1.00 61.14 H new ATOM 0 HB3 LEU A 26 -9.421 6.457 -6.077 1.00 61.14 H new ATOM 0 HG LEU A 26 -11.022 4.623 -6.271 1.00 2.43 H new ATOM 0 HD11 LEU A 26 -11.209 4.543 -8.735 1.00 54.34 H new ATOM 0 HD12 LEU A 26 -10.819 6.178 -8.150 1.00 54.34 H new ATOM 0 HD13 LEU A 26 -9.547 5.164 -8.873 1.00 54.34 H new ATOM 0 HD21 LEU A 26 -10.465 2.553 -7.487 1.00 60.00 H new ATOM 0 HD22 LEU A 26 -8.762 3.066 -7.565 1.00 60.00 H new ATOM 0 HD23 LEU A 26 -9.517 2.724 -5.990 1.00 60.00 H new ATOM 439 N PRO A 27 -6.897 7.839 -7.149 1.00 22.15 N ATOM 440 CA PRO A 27 -6.113 9.041 -6.807 1.00 60.24 C ATOM 441 C PRO A 27 -6.660 9.791 -5.576 1.00 31.03 C ATOM 442 O PRO A 27 -7.840 10.141 -5.515 1.00 32.21 O ATOM 443 CB PRO A 27 -6.233 9.906 -8.070 1.00 40.44 C ATOM 444 CG PRO A 27 -7.528 9.491 -8.685 1.00 25.50 C ATOM 445 CD PRO A 27 -7.681 8.022 -8.387 1.00 1.41 C ATOM 0 HA PRO A 27 -5.088 8.791 -6.535 1.00 60.24 H new ATOM 0 HB2 PRO A 27 -6.232 10.968 -7.825 1.00 40.44 H new ATOM 0 HB3 PRO A 27 -5.398 9.735 -8.749 1.00 40.44 H new ATOM 0 HG2 PRO A 27 -8.358 10.062 -8.268 1.00 25.50 H new ATOM 0 HG3 PRO A 27 -7.525 9.672 -9.760 1.00 25.50 H new ATOM 0 HD2 PRO A 27 -8.726 7.748 -8.245 1.00 1.41 H new ATOM 0 HD3 PRO A 27 -7.298 7.405 -9.200 1.00 1.41 H new ATOM 453 N GLY A 28 -5.788 10.026 -4.596 1.00 54.22 N ATOM 454 CA GLY A 28 -6.170 10.778 -3.401 1.00 24.35 C ATOM 455 C GLY A 28 -6.616 9.900 -2.232 1.00 45.31 C ATOM 456 O GLY A 28 -6.703 10.373 -1.097 1.00 1.04 O ATOM 0 H GLY A 28 -4.819 9.709 -4.605 1.00 54.22 H new ATOM 0 HA2 GLY A 28 -5.325 11.388 -3.082 1.00 24.35 H new ATOM 0 HA3 GLY A 28 -6.979 11.462 -3.658 1.00 24.35 H new ATOM 460 N ASP A 29 -6.888 8.627 -2.501 1.00 33.03 N ATOM 461 CA ASP A 29 -7.406 7.713 -1.477 1.00 22.43 C ATOM 462 C ASP A 29 -6.294 7.206 -0.537 1.00 23.22 C ATOM 463 O ASP A 29 -5.107 7.252 -0.869 1.00 14.43 O ATOM 464 CB ASP A 29 -8.114 6.527 -2.147 1.00 33.04 C ATOM 465 CG ASP A 29 -8.727 5.573 -1.135 1.00 23.01 C ATOM 466 OD1 ASP A 29 -9.533 6.034 -0.300 1.00 11.54 O ATOM 467 OD2 ASP A 29 -8.411 4.368 -1.172 1.00 41.34 O ATOM 0 H ASP A 29 -6.760 8.200 -3.419 1.00 33.03 H new ATOM 0 HA ASP A 29 -8.118 8.269 -0.867 1.00 22.43 H new ATOM 0 HB2 ASP A 29 -8.895 6.900 -2.810 1.00 33.04 H new ATOM 0 HB3 ASP A 29 -7.401 5.985 -2.768 1.00 33.04 H new ATOM 472 N VAL A 30 -6.695 6.712 0.635 1.00 10.40 N ATOM 473 CA VAL A 30 -5.754 6.205 1.640 1.00 72.25 C ATOM 474 C VAL A 30 -5.827 4.673 1.756 1.00 61.23 C ATOM 475 O VAL A 30 -6.907 4.089 1.825 1.00 24.54 O ATOM 476 CB VAL A 30 -6.027 6.831 3.032 1.00 50.10 C ATOM 477 CG1 VAL A 30 -5.020 6.329 4.069 1.00 72.30 C ATOM 478 CG2 VAL A 30 -6.004 8.357 2.944 1.00 2.55 C ATOM 0 H VAL A 30 -7.674 6.651 0.915 1.00 10.40 H new ATOM 0 HA VAL A 30 -4.756 6.490 1.307 1.00 72.25 H new ATOM 0 HB VAL A 30 -7.020 6.520 3.357 1.00 50.10 H new ATOM 0 HG11 VAL A 30 -5.235 6.784 5.036 1.00 72.30 H new ATOM 0 HG12 VAL A 30 -5.095 5.245 4.154 1.00 72.30 H new ATOM 0 HG13 VAL A 30 -4.011 6.600 3.757 1.00 72.30 H new ATOM 0 HG21 VAL A 30 -6.197 8.781 3.929 1.00 2.55 H new ATOM 0 HG22 VAL A 30 -5.026 8.686 2.593 1.00 2.55 H new ATOM 0 HG23 VAL A 30 -6.772 8.693 2.247 1.00 2.55 H new ATOM 488 N LEU A 31 -4.666 4.030 1.766 1.00 72.12 N ATOM 489 CA LEU A 31 -4.575 2.577 1.936 1.00 0.45 C ATOM 490 C LEU A 31 -4.005 2.226 3.322 1.00 12.42 C ATOM 491 O LEU A 31 -2.905 2.654 3.681 1.00 52.43 O ATOM 492 CB LEU A 31 -3.690 1.952 0.840 1.00 62.53 C ATOM 493 CG LEU A 31 -4.208 2.086 -0.608 1.00 4.24 C ATOM 494 CD1 LEU A 31 -4.116 3.528 -1.102 1.00 35.04 C ATOM 495 CD2 LEU A 31 -3.442 1.149 -1.539 1.00 63.30 C ATOM 0 H LEU A 31 -3.764 4.493 1.658 1.00 72.12 H new ATOM 0 HA LEU A 31 -5.582 2.169 1.852 1.00 0.45 H new ATOM 0 HB2 LEU A 31 -2.702 2.409 0.895 1.00 62.53 H new ATOM 0 HB3 LEU A 31 -3.564 0.892 1.063 1.00 62.53 H new ATOM 0 HG LEU A 31 -5.260 1.800 -0.614 1.00 4.24 H new ATOM 0 HD11 LEU A 31 -4.489 3.587 -2.125 1.00 35.04 H new ATOM 0 HD12 LEU A 31 -4.717 4.172 -0.459 1.00 35.04 H new ATOM 0 HD13 LEU A 31 -3.077 3.856 -1.075 1.00 35.04 H new ATOM 0 HD21 LEU A 31 -3.820 1.257 -2.556 1.00 63.30 H new ATOM 0 HD22 LEU A 31 -2.382 1.402 -1.518 1.00 63.30 H new ATOM 0 HD23 LEU A 31 -3.576 0.119 -1.209 1.00 63.30 H new ATOM 507 N VAL A 32 -4.760 1.450 4.097 1.00 4.34 N ATOM 508 CA VAL A 32 -4.326 1.024 5.434 1.00 14.03 C ATOM 509 C VAL A 32 -3.637 -0.351 5.380 1.00 31.10 C ATOM 510 O VAL A 32 -4.255 -1.359 5.033 1.00 61.23 O ATOM 511 CB VAL A 32 -5.522 0.960 6.419 1.00 63.11 C ATOM 512 CG1 VAL A 32 -5.060 0.537 7.816 1.00 71.01 C ATOM 513 CG2 VAL A 32 -6.252 2.304 6.468 1.00 61.53 C ATOM 0 H VAL A 32 -5.679 1.100 3.825 1.00 4.34 H new ATOM 0 HA VAL A 32 -3.613 1.767 5.791 1.00 14.03 H new ATOM 0 HB VAL A 32 -6.221 0.206 6.056 1.00 63.11 H new ATOM 0 HG11 VAL A 32 -5.918 0.500 8.487 1.00 71.01 H new ATOM 0 HG12 VAL A 32 -4.598 -0.449 7.763 1.00 71.01 H new ATOM 0 HG13 VAL A 32 -4.335 1.258 8.193 1.00 71.01 H new ATOM 0 HG21 VAL A 32 -7.088 2.239 7.165 1.00 61.53 H new ATOM 0 HG22 VAL A 32 -5.563 3.081 6.800 1.00 61.53 H new ATOM 0 HG23 VAL A 32 -6.626 2.551 5.475 1.00 61.53 H new ATOM 523 N VAL A 33 -2.350 -0.385 5.720 1.00 2.23 N ATOM 524 CA VAL A 33 -1.570 -1.626 5.673 1.00 31.13 C ATOM 525 C VAL A 33 -1.149 -2.088 7.076 1.00 12.51 C ATOM 526 O VAL A 33 -0.273 -1.491 7.705 1.00 24.43 O ATOM 527 CB VAL A 33 -0.305 -1.457 4.792 1.00 32.25 C ATOM 528 CG1 VAL A 33 0.487 -2.764 4.716 1.00 51.45 C ATOM 529 CG2 VAL A 33 -0.686 -0.966 3.397 1.00 70.51 C ATOM 0 H VAL A 33 -1.823 0.431 6.031 1.00 2.23 H new ATOM 0 HA VAL A 33 -2.218 -2.386 5.235 1.00 31.13 H new ATOM 0 HB VAL A 33 0.336 -0.706 5.254 1.00 32.25 H new ATOM 0 HG11 VAL A 33 1.369 -2.619 4.092 1.00 51.45 H new ATOM 0 HG12 VAL A 33 0.796 -3.061 5.718 1.00 51.45 H new ATOM 0 HG13 VAL A 33 -0.139 -3.544 4.283 1.00 51.45 H new ATOM 0 HG21 VAL A 33 0.214 -0.853 2.793 1.00 70.51 H new ATOM 0 HG22 VAL A 33 -1.351 -1.690 2.926 1.00 70.51 H new ATOM 0 HG23 VAL A 33 -1.193 -0.004 3.476 1.00 70.51 H new ATOM 539 N SER A 34 -1.792 -3.147 7.569 1.00 25.04 N ATOM 540 CA SER A 34 -1.400 -3.769 8.841 1.00 65.12 C ATOM 541 C SER A 34 0.032 -4.319 8.749 1.00 62.30 C ATOM 542 O SER A 34 0.345 -5.104 7.851 1.00 10.14 O ATOM 543 CB SER A 34 -2.370 -4.904 9.207 1.00 31.10 C ATOM 544 OG SER A 34 -3.708 -4.436 9.270 1.00 53.22 O ATOM 0 H SER A 34 -2.586 -3.594 7.110 1.00 25.04 H new ATOM 0 HA SER A 34 -1.439 -3.007 9.620 1.00 65.12 H new ATOM 0 HB2 SER A 34 -2.296 -5.702 8.468 1.00 31.10 H new ATOM 0 HB3 SER A 34 -2.086 -5.332 10.168 1.00 31.10 H new ATOM 0 HG SER A 34 -4.304 -5.179 9.503 1.00 53.22 H new ATOM 550 N ARG A 35 0.896 -3.922 9.685 1.00 1.14 N ATOM 551 CA ARG A 35 2.324 -4.259 9.612 1.00 72.42 C ATOM 552 C ARG A 35 2.561 -5.779 9.577 1.00 41.13 C ATOM 553 O ARG A 35 3.616 -6.234 9.139 1.00 35.43 O ATOM 554 CB ARG A 35 3.089 -3.631 10.785 1.00 72.15 C ATOM 555 CG ARG A 35 4.590 -3.486 10.532 1.00 71.14 C ATOM 556 CD ARG A 35 5.310 -2.872 11.727 1.00 74.25 C ATOM 557 NE ARG A 35 6.644 -2.376 11.380 1.00 3.15 N ATOM 558 CZ ARG A 35 7.629 -2.267 12.230 1.00 20.55 C ATOM 559 NH1 ARG A 35 7.503 -2.717 13.439 1.00 53.12 N ATOM 560 NH2 ARG A 35 8.752 -1.725 11.869 1.00 1.15 N ATOM 0 H ARG A 35 0.636 -3.368 10.501 1.00 1.14 H new ATOM 0 HA ARG A 35 2.702 -3.846 8.677 1.00 72.42 H new ATOM 0 HB2 ARG A 35 2.669 -2.648 10.997 1.00 72.15 H new ATOM 0 HB3 ARG A 35 2.937 -4.241 11.675 1.00 72.15 H new ATOM 0 HG2 ARG A 35 5.018 -4.465 10.314 1.00 71.14 H new ATOM 0 HG3 ARG A 35 4.752 -2.864 9.652 1.00 71.14 H new ATOM 0 HD2 ARG A 35 4.713 -2.052 12.126 1.00 74.25 H new ATOM 0 HD3 ARG A 35 5.397 -3.617 12.518 1.00 74.25 H new ATOM 0 HE ARG A 35 6.814 -2.098 10.413 1.00 3.15 H new ATOM 0 HH11 ARG A 35 6.631 -3.159 13.730 1.00 53.12 H new ATOM 0 HH12 ARG A 35 8.276 -2.629 14.099 1.00 53.12 H new ATOM 0 HH21 ARG A 35 8.869 -1.381 10.916 1.00 1.15 H new ATOM 0 HH22 ARG A 35 9.517 -1.643 12.538 1.00 1.15 H new ATOM 574 N ALA A 36 1.574 -6.556 10.029 1.00 63.22 N ATOM 575 CA ALA A 36 1.635 -8.022 9.954 1.00 12.12 C ATOM 576 C ALA A 36 1.955 -8.499 8.527 1.00 4.12 C ATOM 577 O ALA A 36 2.677 -9.482 8.332 1.00 60.44 O ATOM 578 CB ALA A 36 0.320 -8.627 10.435 1.00 75.03 C ATOM 0 H ALA A 36 0.719 -6.195 10.453 1.00 63.22 H new ATOM 0 HA ALA A 36 2.442 -8.360 10.605 1.00 12.12 H new ATOM 0 HB1 ALA A 36 0.376 -9.714 10.375 1.00 75.03 H new ATOM 0 HB2 ALA A 36 0.139 -8.329 11.468 1.00 75.03 H new ATOM 0 HB3 ALA A 36 -0.496 -8.271 9.806 1.00 75.03 H new ATOM 584 N ALA A 37 1.424 -7.784 7.532 1.00 42.02 N ATOM 585 CA ALA A 37 1.711 -8.082 6.122 1.00 3.13 C ATOM 586 C ALA A 37 3.154 -7.698 5.758 1.00 60.12 C ATOM 587 O ALA A 37 3.833 -8.414 5.023 1.00 31.43 O ATOM 588 CB ALA A 37 0.720 -7.360 5.215 1.00 74.13 C ATOM 0 H ALA A 37 0.793 -6.995 7.674 1.00 42.02 H new ATOM 0 HA ALA A 37 1.602 -9.156 5.973 1.00 3.13 H new ATOM 0 HB1 ALA A 37 0.945 -7.590 4.174 1.00 74.13 H new ATOM 0 HB2 ALA A 37 -0.293 -7.688 5.448 1.00 74.13 H new ATOM 0 HB3 ALA A 37 0.798 -6.284 5.374 1.00 74.13 H new ATOM 594 N LEU A 38 3.619 -6.567 6.287 1.00 71.11 N ATOM 595 CA LEU A 38 4.995 -6.108 6.056 1.00 60.14 C ATOM 596 C LEU A 38 6.015 -7.077 6.676 1.00 42.22 C ATOM 597 O LEU A 38 7.078 -7.331 6.105 1.00 4.24 O ATOM 598 CB LEU A 38 5.187 -4.699 6.634 1.00 25.51 C ATOM 599 CG LEU A 38 4.271 -3.610 6.040 1.00 30.35 C ATOM 600 CD1 LEU A 38 4.537 -2.257 6.700 1.00 44.42 C ATOM 601 CD2 LEU A 38 4.451 -3.517 4.526 1.00 3.15 C ATOM 0 H LEU A 38 3.065 -5.949 6.880 1.00 71.11 H new ATOM 0 HA LEU A 38 5.165 -6.079 4.980 1.00 60.14 H new ATOM 0 HB2 LEU A 38 5.022 -4.741 7.711 1.00 25.51 H new ATOM 0 HB3 LEU A 38 6.224 -4.400 6.482 1.00 25.51 H new ATOM 0 HG LEU A 38 3.237 -3.890 6.243 1.00 30.35 H new ATOM 0 HD11 LEU A 38 3.879 -1.504 6.265 1.00 44.42 H new ATOM 0 HD12 LEU A 38 4.346 -2.331 7.771 1.00 44.42 H new ATOM 0 HD13 LEU A 38 5.576 -1.970 6.536 1.00 44.42 H new ATOM 0 HD21 LEU A 38 3.795 -2.742 4.129 1.00 3.15 H new ATOM 0 HD22 LEU A 38 5.487 -3.268 4.297 1.00 3.15 H new ATOM 0 HD23 LEU A 38 4.199 -4.475 4.070 1.00 3.15 H new ATOM 613 N GLN A 39 5.682 -7.616 7.847 1.00 15.32 N ATOM 614 CA GLN A 39 6.511 -8.638 8.495 1.00 32.12 C ATOM 615 C GLN A 39 6.518 -9.932 7.668 1.00 44.30 C ATOM 616 O GLN A 39 7.546 -10.599 7.539 1.00 5.52 O ATOM 617 CB GLN A 39 6.005 -8.909 9.921 1.00 2.53 C ATOM 618 CG GLN A 39 6.038 -7.683 10.832 1.00 54.51 C ATOM 619 CD GLN A 39 7.441 -7.132 11.033 1.00 12.23 C ATOM 620 OE1 GLN A 39 7.913 -6.297 10.266 1.00 61.11 O ATOM 621 NE2 GLN A 39 8.120 -7.590 12.066 1.00 63.20 N ATOM 0 H GLN A 39 4.843 -7.364 8.370 1.00 15.32 H new ATOM 0 HA GLN A 39 7.534 -8.267 8.556 1.00 32.12 H new ATOM 0 HB2 GLN A 39 4.983 -9.283 9.868 1.00 2.53 H new ATOM 0 HB3 GLN A 39 6.611 -9.698 10.367 1.00 2.53 H new ATOM 0 HG2 GLN A 39 5.405 -6.904 10.407 1.00 54.51 H new ATOM 0 HG3 GLN A 39 5.614 -7.945 11.801 1.00 54.51 H new ATOM 0 HE21 GLN A 39 7.700 -8.284 12.685 1.00 63.20 H new ATOM 0 HE22 GLN A 39 9.065 -7.251 12.246 1.00 63.20 H new ATOM 630 N ALA A 40 5.360 -10.271 7.097 1.00 30.42 N ATOM 631 CA ALA A 40 5.251 -11.416 6.187 1.00 24.43 C ATOM 632 C ALA A 40 6.139 -11.227 4.945 1.00 13.35 C ATOM 633 O ALA A 40 6.720 -12.182 4.428 1.00 72.14 O ATOM 634 CB ALA A 40 3.797 -11.626 5.773 1.00 23.02 C ATOM 0 H ALA A 40 4.484 -9.770 7.248 1.00 30.42 H new ATOM 0 HA ALA A 40 5.599 -12.302 6.717 1.00 24.43 H new ATOM 0 HB1 ALA A 40 3.731 -12.479 5.098 1.00 23.02 H new ATOM 0 HB2 ALA A 40 3.190 -11.816 6.658 1.00 23.02 H new ATOM 0 HB3 ALA A 40 3.430 -10.733 5.267 1.00 23.02 H new ATOM 640 N LEU A 41 6.236 -9.984 4.468 1.00 0.33 N ATOM 641 CA LEU A 41 7.132 -9.646 3.352 1.00 33.23 C ATOM 642 C LEU A 41 8.602 -9.631 3.806 1.00 4.35 C ATOM 643 O LEU A 41 9.515 -9.867 3.009 1.00 60.45 O ATOM 644 CB LEU A 41 6.771 -8.269 2.772 1.00 13.03 C ATOM 645 CG LEU A 41 5.348 -8.131 2.210 1.00 0.13 C ATOM 646 CD1 LEU A 41 5.087 -6.694 1.772 1.00 13.15 C ATOM 647 CD2 LEU A 41 5.121 -9.099 1.049 1.00 43.30 C ATOM 0 H LEU A 41 5.707 -9.193 4.835 1.00 0.33 H new ATOM 0 HA LEU A 41 7.006 -10.411 2.586 1.00 33.23 H new ATOM 0 HB2 LEU A 41 6.907 -7.520 3.552 1.00 13.03 H new ATOM 0 HB3 LEU A 41 7.479 -8.034 1.978 1.00 13.03 H new ATOM 0 HG LEU A 41 4.643 -8.386 3.001 1.00 0.13 H new ATOM 0 HD11 LEU A 41 4.075 -6.612 1.376 1.00 13.15 H new ATOM 0 HD12 LEU A 41 5.197 -6.027 2.627 1.00 13.15 H new ATOM 0 HD13 LEU A 41 5.803 -6.414 0.999 1.00 13.15 H new ATOM 0 HD21 LEU A 41 4.106 -8.981 0.670 1.00 43.30 H new ATOM 0 HD22 LEU A 41 5.833 -8.885 0.252 1.00 43.30 H new ATOM 0 HD23 LEU A 41 5.262 -10.123 1.396 1.00 43.30 H new ATOM 659 N GLY A 42 8.816 -9.342 5.087 1.00 65.33 N ATOM 660 CA GLY A 42 10.166 -9.222 5.628 1.00 70.44 C ATOM 661 C GLY A 42 10.772 -7.846 5.379 1.00 74.22 C ATOM 662 O GLY A 42 11.843 -7.726 4.781 1.00 23.00 O ATOM 0 H GLY A 42 8.073 -9.187 5.768 1.00 65.33 H new ATOM 0 HA2 GLY A 42 10.143 -9.417 6.700 1.00 70.44 H new ATOM 0 HA3 GLY A 42 10.804 -9.983 5.179 1.00 70.44 H new ATOM 666 N VAL A 43 10.077 -6.800 5.817 1.00 53.42 N ATOM 667 CA VAL A 43 10.551 -5.421 5.633 1.00 11.42 C ATOM 668 C VAL A 43 11.524 -5.004 6.751 1.00 24.25 C ATOM 669 O VAL A 43 11.337 -5.352 7.921 1.00 15.44 O ATOM 670 CB VAL A 43 9.363 -4.421 5.582 1.00 33.02 C ATOM 671 CG1 VAL A 43 9.851 -2.981 5.393 1.00 41.11 C ATOM 672 CG2 VAL A 43 8.383 -4.809 4.473 1.00 43.22 C ATOM 0 H VAL A 43 9.183 -6.875 6.302 1.00 53.42 H new ATOM 0 HA VAL A 43 11.081 -5.393 4.681 1.00 11.42 H new ATOM 0 HB VAL A 43 8.844 -4.471 6.539 1.00 33.02 H new ATOM 0 HG11 VAL A 43 8.994 -2.308 5.362 1.00 41.11 H new ATOM 0 HG12 VAL A 43 10.500 -2.705 6.224 1.00 41.11 H new ATOM 0 HG13 VAL A 43 10.407 -2.905 4.458 1.00 41.11 H new ATOM 0 HG21 VAL A 43 7.557 -4.098 4.452 1.00 43.22 H new ATOM 0 HG22 VAL A 43 8.897 -4.797 3.512 1.00 43.22 H new ATOM 0 HG23 VAL A 43 7.995 -5.810 4.664 1.00 43.22 H new ATOM 682 N ALA A 44 12.565 -4.260 6.379 1.00 4.34 N ATOM 683 CA ALA A 44 13.563 -3.777 7.339 1.00 40.50 C ATOM 684 C ALA A 44 13.059 -2.554 8.123 1.00 15.41 C ATOM 685 O ALA A 44 12.333 -1.711 7.589 1.00 73.34 O ATOM 686 CB ALA A 44 14.862 -3.442 6.617 1.00 64.01 C ATOM 0 H ALA A 44 12.742 -3.976 5.415 1.00 4.34 H new ATOM 0 HA ALA A 44 13.744 -4.575 8.059 1.00 40.50 H new ATOM 0 HB1 ALA A 44 15.597 -3.084 7.338 1.00 64.01 H new ATOM 0 HB2 ALA A 44 15.244 -4.335 6.122 1.00 64.01 H new ATOM 0 HB3 ALA A 44 14.676 -2.667 5.874 1.00 64.01 H new ATOM 692 N GLU A 45 13.459 -2.461 9.390 1.00 3.43 N ATOM 693 CA GLU A 45 13.056 -1.349 10.259 1.00 4.13 C ATOM 694 C GLU A 45 13.648 -0.019 9.768 1.00 72.41 C ATOM 695 O GLU A 45 14.867 0.135 9.681 1.00 2.02 O ATOM 696 CB GLU A 45 13.503 -1.617 11.700 1.00 25.34 C ATOM 697 CG GLU A 45 12.917 -2.890 12.301 1.00 50.01 C ATOM 698 CD GLU A 45 13.424 -3.159 13.708 1.00 53.00 C ATOM 699 OE1 GLU A 45 12.922 -2.524 14.661 1.00 62.13 O ATOM 700 OE2 GLU A 45 14.338 -3.998 13.867 1.00 10.11 O ATOM 0 H GLU A 45 14.065 -3.145 9.843 1.00 3.43 H new ATOM 0 HA GLU A 45 11.969 -1.273 10.226 1.00 4.13 H new ATOM 0 HB2 GLU A 45 14.591 -1.681 11.727 1.00 25.34 H new ATOM 0 HB3 GLU A 45 13.218 -0.769 12.322 1.00 25.34 H new ATOM 0 HG2 GLU A 45 11.830 -2.812 12.319 1.00 50.01 H new ATOM 0 HG3 GLU A 45 13.165 -3.737 11.661 1.00 50.01 H new ATOM 707 N GLY A 46 12.780 0.938 9.459 1.00 32.34 N ATOM 708 CA GLY A 46 13.227 2.198 8.872 1.00 10.15 C ATOM 709 C GLY A 46 12.919 2.277 7.383 1.00 23.34 C ATOM 710 O GLY A 46 12.995 3.349 6.779 1.00 60.14 O ATOM 0 H GLY A 46 11.773 0.868 9.603 1.00 32.34 H new ATOM 0 HA2 GLY A 46 12.744 3.029 9.386 1.00 10.15 H new ATOM 0 HA3 GLY A 46 14.300 2.309 9.026 1.00 10.15 H new ATOM 714 N GLY A 47 12.570 1.133 6.795 1.00 62.04 N ATOM 715 CA GLY A 47 12.211 1.082 5.383 1.00 25.54 C ATOM 716 C GLY A 47 10.702 1.105 5.148 1.00 13.11 C ATOM 717 O GLY A 47 10.249 1.418 4.047 1.00 33.45 O ATOM 0 H GLY A 47 12.529 0.234 7.275 1.00 62.04 H new ATOM 0 HA2 GLY A 47 12.666 1.928 4.868 1.00 25.54 H new ATOM 0 HA3 GLY A 47 12.628 0.177 4.941 1.00 25.54 H new ATOM 721 N GLU A 48 9.920 0.782 6.181 1.00 2.02 N ATOM 722 CA GLU A 48 8.451 0.773 6.065 1.00 33.05 C ATOM 723 C GLU A 48 7.907 2.186 5.789 1.00 31.50 C ATOM 724 O GLU A 48 6.889 2.356 5.120 1.00 31.24 O ATOM 725 CB GLU A 48 7.789 0.182 7.327 1.00 41.41 C ATOM 726 CG GLU A 48 7.921 1.027 8.595 1.00 11.12 C ATOM 727 CD GLU A 48 9.340 1.092 9.137 1.00 61.44 C ATOM 728 OE1 GLU A 48 9.724 0.198 9.924 1.00 63.25 O ATOM 729 OE2 GLU A 48 10.078 2.030 8.774 1.00 42.44 O ATOM 0 H GLU A 48 10.272 0.524 7.103 1.00 2.02 H new ATOM 0 HA GLU A 48 8.198 0.135 5.219 1.00 33.05 H new ATOM 0 HB2 GLU A 48 6.730 0.028 7.122 1.00 41.41 H new ATOM 0 HB3 GLU A 48 8.223 -0.800 7.518 1.00 41.41 H new ATOM 0 HG2 GLU A 48 7.574 2.039 8.385 1.00 11.12 H new ATOM 0 HG3 GLU A 48 7.265 0.618 9.364 1.00 11.12 H new ATOM 736 N ARG A 49 8.605 3.199 6.303 1.00 3.03 N ATOM 737 CA ARG A 49 8.255 4.601 6.043 1.00 34.22 C ATOM 738 C ARG A 49 8.688 5.050 4.629 1.00 41.14 C ATOM 739 O ARG A 49 8.610 6.233 4.292 1.00 64.41 O ATOM 740 CB ARG A 49 8.878 5.508 7.121 1.00 71.10 C ATOM 741 CG ARG A 49 10.383 5.329 7.297 1.00 23.25 C ATOM 742 CD ARG A 49 10.908 6.132 8.485 1.00 1.13 C ATOM 743 NE ARG A 49 12.317 5.853 8.764 1.00 30.02 N ATOM 744 CZ ARG A 49 12.837 5.806 9.964 1.00 5.45 C ATOM 745 NH1 ARG A 49 12.115 6.035 11.012 1.00 20.01 N ATOM 746 NH2 ARG A 49 14.088 5.536 10.117 1.00 4.04 N ATOM 0 H ARG A 49 9.420 3.077 6.904 1.00 3.03 H new ATOM 0 HA ARG A 49 7.170 4.690 6.088 1.00 34.22 H new ATOM 0 HB2 ARG A 49 8.675 6.548 6.866 1.00 71.10 H new ATOM 0 HB3 ARG A 49 8.386 5.311 8.074 1.00 71.10 H new ATOM 0 HG2 ARG A 49 10.610 4.273 7.442 1.00 23.25 H new ATOM 0 HG3 ARG A 49 10.896 5.644 6.389 1.00 23.25 H new ATOM 0 HD2 ARG A 49 10.783 7.196 8.285 1.00 1.13 H new ATOM 0 HD3 ARG A 49 10.312 5.902 9.368 1.00 1.13 H new ATOM 0 HE ARG A 49 12.935 5.684 7.970 1.00 30.02 H new ATOM 0 HH11 ARG A 49 11.124 6.256 10.910 1.00 20.01 H new ATOM 0 HH12 ARG A 49 12.536 5.994 11.940 1.00 20.01 H new ATOM 0 HH21 ARG A 49 14.675 5.358 9.302 1.00 4.04 H new ATOM 0 HH22 ARG A 49 14.491 5.500 11.053 1.00 4.04 H new ATOM 760 N CYS A 50 9.138 4.097 3.806 1.00 32.25 N ATOM 761 CA CYS A 50 9.523 4.374 2.414 1.00 10.20 C ATOM 762 C CYS A 50 8.996 3.280 1.463 1.00 13.10 C ATOM 763 O CYS A 50 9.735 2.375 1.067 1.00 42.33 O ATOM 764 CB CYS A 50 11.049 4.483 2.293 1.00 71.20 C ATOM 765 SG CYS A 50 11.787 5.748 3.353 1.00 40.21 S ATOM 0 H CYS A 50 9.246 3.120 4.080 1.00 32.25 H new ATOM 0 HA CYS A 50 9.074 5.324 2.125 1.00 10.20 H new ATOM 0 HB2 CYS A 50 11.492 3.517 2.537 1.00 71.20 H new ATOM 0 HB3 CYS A 50 11.306 4.699 1.256 1.00 71.20 H new ATOM 0 HG CYS A 50 13.075 5.761 3.181 1.00 40.21 H new ATOM 771 N PRO A 51 7.703 3.352 1.078 1.00 53.12 N ATOM 772 CA PRO A 51 7.060 2.317 0.240 1.00 41.12 C ATOM 773 C PRO A 51 7.768 2.109 -1.112 1.00 71.12 C ATOM 774 O PRO A 51 7.878 0.981 -1.601 1.00 52.30 O ATOM 775 CB PRO A 51 5.627 2.847 0.041 1.00 52.21 C ATOM 776 CG PRO A 51 5.695 4.302 0.377 1.00 4.32 C ATOM 777 CD PRO A 51 6.764 4.432 1.429 1.00 14.12 C ATOM 0 HA PRO A 51 7.098 1.337 0.715 1.00 41.12 H new ATOM 0 HB2 PRO A 51 5.290 2.695 -0.985 1.00 52.21 H new ATOM 0 HB3 PRO A 51 4.921 2.326 0.688 1.00 52.21 H new ATOM 0 HG2 PRO A 51 5.940 4.895 -0.504 1.00 4.32 H new ATOM 0 HG3 PRO A 51 4.736 4.663 0.748 1.00 4.32 H new ATOM 0 HD2 PRO A 51 7.244 5.410 1.399 1.00 14.12 H new ATOM 0 HD3 PRO A 51 6.360 4.306 2.433 1.00 14.12 H new ATOM 785 N GLN A 52 8.259 3.200 -1.697 1.00 2.24 N ATOM 786 CA GLN A 52 8.989 3.146 -2.972 1.00 35.52 C ATOM 787 C GLN A 52 10.267 2.291 -2.863 1.00 5.34 C ATOM 788 O GLN A 52 10.783 1.796 -3.866 1.00 73.42 O ATOM 789 CB GLN A 52 9.341 4.569 -3.431 1.00 60.34 C ATOM 790 CG GLN A 52 10.220 5.337 -2.444 1.00 32.12 C ATOM 791 CD GLN A 52 10.376 6.803 -2.813 1.00 55.32 C ATOM 792 OE1 GLN A 52 9.590 7.643 -2.393 1.00 31.10 O ATOM 793 NE2 GLN A 52 11.385 7.125 -3.595 1.00 64.33 N ATOM 0 H GLN A 52 8.166 4.139 -1.310 1.00 2.24 H new ATOM 0 HA GLN A 52 8.340 2.674 -3.710 1.00 35.52 H new ATOM 0 HB2 GLN A 52 9.852 4.514 -4.392 1.00 60.34 H new ATOM 0 HB3 GLN A 52 8.419 5.127 -3.592 1.00 60.34 H new ATOM 0 HG2 GLN A 52 9.789 5.262 -1.446 1.00 32.12 H new ATOM 0 HG3 GLN A 52 11.204 4.871 -2.402 1.00 32.12 H new ATOM 0 HE21 GLN A 52 12.023 6.402 -3.929 1.00 64.33 H new ATOM 0 HE22 GLN A 52 11.529 8.097 -3.867 1.00 64.33 H new ATOM 802 N SER A 53 10.774 2.126 -1.641 1.00 33.54 N ATOM 803 CA SER A 53 11.979 1.319 -1.396 1.00 24.11 C ATOM 804 C SER A 53 11.636 -0.165 -1.207 1.00 32.02 C ATOM 805 O SER A 53 12.480 -1.036 -1.423 1.00 24.03 O ATOM 806 CB SER A 53 12.732 1.834 -0.160 1.00 64.34 C ATOM 807 OG SER A 53 13.134 3.188 -0.326 1.00 2.51 O ATOM 0 H SER A 53 10.371 2.540 -0.801 1.00 33.54 H new ATOM 0 HA SER A 53 12.617 1.415 -2.275 1.00 24.11 H new ATOM 0 HB2 SER A 53 12.094 1.747 0.719 1.00 64.34 H new ATOM 0 HB3 SER A 53 13.609 1.212 0.020 1.00 64.34 H new ATOM 0 HG SER A 53 13.609 3.489 0.477 1.00 2.51 H new ATOM 813 N VAL A 54 10.402 -0.450 -0.796 1.00 10.20 N ATOM 814 CA VAL A 54 9.958 -1.835 -0.585 1.00 11.21 C ATOM 815 C VAL A 54 9.561 -2.510 -1.912 1.00 5.42 C ATOM 816 O VAL A 54 9.946 -3.649 -2.186 1.00 11.21 O ATOM 817 CB VAL A 54 8.760 -1.900 0.397 1.00 60.05 C ATOM 818 CG1 VAL A 54 8.358 -3.349 0.675 1.00 75.35 C ATOM 819 CG2 VAL A 54 9.089 -1.165 1.698 1.00 33.13 C ATOM 0 H VAL A 54 9.690 0.254 -0.602 1.00 10.20 H new ATOM 0 HA VAL A 54 10.803 -2.372 -0.154 1.00 11.21 H new ATOM 0 HB VAL A 54 7.911 -1.402 -0.070 1.00 60.05 H new ATOM 0 HG11 VAL A 54 7.516 -3.367 1.367 1.00 75.35 H new ATOM 0 HG12 VAL A 54 8.071 -3.833 -0.259 1.00 75.35 H new ATOM 0 HG13 VAL A 54 9.200 -3.882 1.116 1.00 75.35 H new ATOM 0 HG21 VAL A 54 8.236 -1.222 2.374 1.00 33.13 H new ATOM 0 HG22 VAL A 54 9.956 -1.628 2.168 1.00 33.13 H new ATOM 0 HG23 VAL A 54 9.310 -0.120 1.480 1.00 33.13 H new ATOM 829 N GLY A 55 8.785 -1.797 -2.729 1.00 23.13 N ATOM 830 CA GLY A 55 8.350 -2.325 -4.023 1.00 33.42 C ATOM 831 C GLY A 55 6.835 -2.461 -4.128 1.00 24.30 C ATOM 832 O GLY A 55 6.138 -1.490 -4.423 1.00 63.13 O ATOM 0 H GLY A 55 8.446 -0.858 -2.520 1.00 23.13 H new ATOM 0 HA2 GLY A 55 8.707 -1.668 -4.816 1.00 33.42 H new ATOM 0 HA3 GLY A 55 8.810 -3.300 -4.185 1.00 33.42 H new ATOM 836 N TRP A 56 6.326 -3.672 -3.923 1.00 42.32 N ATOM 837 CA TRP A 56 4.878 -3.928 -3.924 1.00 32.32 C ATOM 838 C TRP A 56 4.434 -4.563 -2.594 1.00 31.03 C ATOM 839 O TRP A 56 5.073 -5.491 -2.095 1.00 14.51 O ATOM 840 CB TRP A 56 4.498 -4.828 -5.113 1.00 71.22 C ATOM 841 CG TRP A 56 5.250 -6.130 -5.154 1.00 21.23 C ATOM 842 CD1 TRP A 56 6.495 -6.342 -5.676 1.00 53.32 C ATOM 843 CD2 TRP A 56 4.801 -7.399 -4.660 1.00 14.22 C ATOM 844 NE1 TRP A 56 6.850 -7.659 -5.529 1.00 1.45 N ATOM 845 CE2 TRP A 56 5.826 -8.329 -4.909 1.00 21.21 C ATOM 846 CE3 TRP A 56 3.632 -7.838 -4.033 1.00 22.02 C ATOM 847 CZ2 TRP A 56 5.721 -9.667 -4.547 1.00 51.15 C ATOM 848 CZ3 TRP A 56 3.526 -9.167 -3.675 1.00 31.34 C ATOM 849 CH2 TRP A 56 4.565 -10.069 -3.934 1.00 1.15 C ATOM 0 H TRP A 56 6.895 -4.501 -3.752 1.00 42.32 H new ATOM 0 HA TRP A 56 4.358 -2.976 -4.031 1.00 32.32 H new ATOM 0 HB2 TRP A 56 3.429 -5.038 -5.071 1.00 71.22 H new ATOM 0 HB3 TRP A 56 4.680 -4.285 -6.040 1.00 71.22 H new ATOM 0 HD1 TRP A 56 7.110 -5.583 -6.137 1.00 53.32 H new ATOM 0 HE1 TRP A 56 7.732 -8.073 -5.832 1.00 1.45 H new ATOM 0 HE3 TRP A 56 2.825 -7.149 -3.832 1.00 22.02 H new ATOM 0 HZ2 TRP A 56 6.522 -10.364 -4.742 1.00 51.15 H new ATOM 0 HZ3 TRP A 56 2.628 -9.516 -3.188 1.00 31.34 H new ATOM 0 HH2 TRP A 56 4.452 -11.103 -3.644 1.00 1.15 H new ATOM 860 N MET A 57 3.344 -4.058 -2.014 1.00 3.25 N ATOM 861 CA MET A 57 2.841 -4.575 -0.730 1.00 43.30 C ATOM 862 C MET A 57 1.319 -4.801 -0.770 1.00 4.30 C ATOM 863 O MET A 57 0.608 -4.126 -1.512 1.00 60.11 O ATOM 864 CB MET A 57 3.177 -3.604 0.420 1.00 74.34 C ATOM 865 CG MET A 57 4.653 -3.242 0.535 1.00 10.13 C ATOM 866 SD MET A 57 5.194 -2.085 -0.740 1.00 71.12 S ATOM 867 CE MET A 57 4.212 -0.643 -0.330 1.00 30.52 C ATOM 0 H MET A 57 2.792 -3.296 -2.406 1.00 3.25 H new ATOM 0 HA MET A 57 3.334 -5.532 -0.555 1.00 43.30 H new ATOM 0 HB2 MET A 57 2.601 -2.688 0.284 1.00 74.34 H new ATOM 0 HB3 MET A 57 2.851 -4.049 1.360 1.00 74.34 H new ATOM 0 HG2 MET A 57 4.840 -2.806 1.517 1.00 10.13 H new ATOM 0 HG3 MET A 57 5.251 -4.151 0.471 1.00 10.13 H new ATOM 0 HE1 MET A 57 4.848 0.242 -0.329 1.00 30.52 H new ATOM 0 HE2 MET A 57 3.420 -0.520 -1.069 1.00 30.52 H new ATOM 0 HE3 MET A 57 3.769 -0.773 0.657 1.00 30.52 H new ATOM 877 N PRO A 58 0.802 -5.759 0.027 1.00 22.12 N ATOM 878 CA PRO A 58 -0.640 -5.978 0.184 1.00 31.53 C ATOM 879 C PRO A 58 -1.249 -5.072 1.273 1.00 24.52 C ATOM 880 O PRO A 58 -0.666 -4.902 2.347 1.00 14.23 O ATOM 881 CB PRO A 58 -0.734 -7.464 0.597 1.00 65.04 C ATOM 882 CG PRO A 58 0.681 -7.944 0.796 1.00 25.32 C ATOM 883 CD PRO A 58 1.561 -6.722 0.824 1.00 12.14 C ATOM 0 HA PRO A 58 -1.193 -5.742 -0.725 1.00 31.53 H new ATOM 0 HB2 PRO A 58 -1.314 -7.576 1.513 1.00 65.04 H new ATOM 0 HB3 PRO A 58 -1.237 -8.049 -0.172 1.00 65.04 H new ATOM 0 HG2 PRO A 58 0.771 -8.505 1.726 1.00 25.32 H new ATOM 0 HG3 PRO A 58 0.978 -8.614 -0.011 1.00 25.32 H new ATOM 0 HD2 PRO A 58 1.726 -6.365 1.841 1.00 12.14 H new ATOM 0 HD3 PRO A 58 2.542 -6.920 0.393 1.00 12.14 H new ATOM 891 N GLY A 59 -2.423 -4.498 1.001 1.00 71.33 N ATOM 892 CA GLY A 59 -3.064 -3.611 1.973 1.00 4.53 C ATOM 893 C GLY A 59 -4.567 -3.438 1.755 1.00 13.24 C ATOM 894 O GLY A 59 -5.146 -4.022 0.835 1.00 33.53 O ATOM 0 H GLY A 59 -2.941 -4.628 0.132 1.00 71.33 H new ATOM 0 HA2 GLY A 59 -2.895 -4.004 2.976 1.00 4.53 H new ATOM 0 HA3 GLY A 59 -2.585 -2.633 1.929 1.00 4.53 H new ATOM 898 N LEU A 60 -5.196 -2.633 2.613 1.00 43.24 N ATOM 899 CA LEU A 60 -6.638 -2.365 2.537 1.00 64.13 C ATOM 900 C LEU A 60 -6.912 -1.000 1.880 1.00 62.32 C ATOM 901 O LEU A 60 -6.498 0.040 2.391 1.00 74.15 O ATOM 902 CB LEU A 60 -7.245 -2.396 3.950 1.00 64.53 C ATOM 903 CG LEU A 60 -8.764 -2.148 4.031 1.00 53.43 C ATOM 904 CD1 LEU A 60 -9.537 -3.265 3.334 1.00 64.10 C ATOM 905 CD2 LEU A 60 -9.212 -2.003 5.486 1.00 33.33 C ATOM 0 H LEU A 60 -4.725 -2.149 3.378 1.00 43.24 H new ATOM 0 HA LEU A 60 -7.100 -3.138 1.923 1.00 64.13 H new ATOM 0 HB2 LEU A 60 -7.030 -3.367 4.397 1.00 64.53 H new ATOM 0 HB3 LEU A 60 -6.740 -1.646 4.559 1.00 64.53 H new ATOM 0 HG LEU A 60 -8.982 -1.214 3.513 1.00 53.43 H new ATOM 0 HD11 LEU A 60 -10.606 -3.067 3.405 1.00 64.10 H new ATOM 0 HD12 LEU A 60 -9.245 -3.310 2.285 1.00 64.10 H new ATOM 0 HD13 LEU A 60 -9.312 -4.217 3.814 1.00 64.10 H new ATOM 0 HD21 LEU A 60 -10.287 -1.829 5.520 1.00 33.33 H new ATOM 0 HD22 LEU A 60 -8.975 -2.916 6.032 1.00 33.33 H new ATOM 0 HD23 LEU A 60 -8.693 -1.161 5.944 1.00 33.33 H new ATOM 917 N ASN A 61 -7.600 -1.015 0.743 1.00 54.15 N ATOM 918 CA ASN A 61 -7.957 0.218 0.034 1.00 0.41 C ATOM 919 C ASN A 61 -9.266 0.817 0.581 1.00 23.24 C ATOM 920 O ASN A 61 -10.343 0.251 0.397 1.00 13.13 O ATOM 921 CB ASN A 61 -8.073 -0.064 -1.469 1.00 14.30 C ATOM 922 CG ASN A 61 -8.595 1.126 -2.251 1.00 55.24 C ATOM 923 OD1 ASN A 61 -9.779 1.216 -2.540 1.00 21.50 O ATOM 924 ND2 ASN A 61 -7.724 2.054 -2.588 1.00 21.24 N ATOM 0 H ASN A 61 -7.924 -1.868 0.288 1.00 54.15 H new ATOM 0 HA ASN A 61 -7.169 0.953 0.197 1.00 0.41 H new ATOM 0 HB2 ASN A 61 -7.095 -0.348 -1.857 1.00 14.30 H new ATOM 0 HB3 ASN A 61 -8.737 -0.915 -1.624 1.00 14.30 H new ATOM 0 HD21 ASN A 61 -8.031 2.878 -3.105 1.00 21.24 H new ATOM 0 HD22 ASN A 61 -6.742 1.949 -2.332 1.00 21.24 H new ATOM 931 N GLU A 62 -9.163 1.969 1.241 1.00 42.20 N ATOM 932 CA GLU A 62 -10.314 2.606 1.897 1.00 70.32 C ATOM 933 C GLU A 62 -11.428 2.997 0.907 1.00 70.45 C ATOM 934 O GLU A 62 -12.601 3.051 1.281 1.00 74.14 O ATOM 935 CB GLU A 62 -9.853 3.839 2.683 1.00 45.32 C ATOM 936 CG GLU A 62 -9.041 3.516 3.936 1.00 14.21 C ATOM 937 CD GLU A 62 -9.874 2.850 5.021 1.00 42.12 C ATOM 938 OE1 GLU A 62 -10.799 3.508 5.545 1.00 3.25 O ATOM 939 OE2 GLU A 62 -9.625 1.672 5.344 1.00 45.33 O ATOM 0 H GLU A 62 -8.290 2.487 1.338 1.00 42.20 H new ATOM 0 HA GLU A 62 -10.740 1.868 2.577 1.00 70.32 H new ATOM 0 HB2 GLU A 62 -9.253 4.470 2.028 1.00 45.32 H new ATOM 0 HB3 GLU A 62 -10.729 4.420 2.971 1.00 45.32 H new ATOM 0 HG2 GLU A 62 -8.212 2.862 3.668 1.00 14.21 H new ATOM 0 HG3 GLU A 62 -8.607 4.435 4.330 1.00 14.21 H new ATOM 946 N ARG A 63 -11.060 3.284 -0.340 1.00 65.35 N ATOM 947 CA ARG A 63 -12.040 3.629 -1.382 1.00 2.44 C ATOM 948 C ARG A 63 -13.039 2.479 -1.622 1.00 30.25 C ATOM 949 O ARG A 63 -14.256 2.661 -1.534 1.00 33.55 O ATOM 950 CB ARG A 63 -11.311 3.952 -2.699 1.00 50.13 C ATOM 951 CG ARG A 63 -12.180 4.622 -3.766 1.00 72.32 C ATOM 952 CD ARG A 63 -12.296 6.133 -3.553 1.00 33.01 C ATOM 953 NE ARG A 63 -12.987 6.475 -2.311 1.00 33.32 N ATOM 954 CZ ARG A 63 -12.602 7.416 -1.488 1.00 12.31 C ATOM 955 NH1 ARG A 63 -11.548 8.127 -1.739 1.00 75.51 N ATOM 956 NH2 ARG A 63 -13.281 7.651 -0.415 1.00 51.31 N ATOM 0 H ARG A 63 -10.091 3.286 -0.659 1.00 65.35 H new ATOM 0 HA ARG A 63 -12.597 4.501 -1.039 1.00 2.44 H new ATOM 0 HB2 ARG A 63 -10.464 4.602 -2.479 1.00 50.13 H new ATOM 0 HB3 ARG A 63 -10.905 3.027 -3.109 1.00 50.13 H new ATOM 0 HG2 ARG A 63 -11.757 4.427 -4.751 1.00 72.32 H new ATOM 0 HG3 ARG A 63 -13.175 4.178 -3.753 1.00 72.32 H new ATOM 0 HD2 ARG A 63 -11.298 6.572 -3.542 1.00 33.01 H new ATOM 0 HD3 ARG A 63 -12.829 6.575 -4.395 1.00 33.01 H new ATOM 0 HE ARG A 63 -13.825 5.945 -2.070 1.00 33.32 H new ATOM 0 HH11 ARG A 63 -11.007 7.956 -2.587 1.00 75.51 H new ATOM 0 HH12 ARG A 63 -11.259 8.858 -1.089 1.00 75.51 H new ATOM 0 HH21 ARG A 63 -14.117 7.103 -0.210 1.00 51.31 H new ATOM 0 HH22 ARG A 63 -12.982 8.385 0.228 1.00 51.31 H new ATOM 970 N THR A 64 -12.507 1.297 -1.913 1.00 20.11 N ATOM 971 CA THR A 64 -13.325 0.129 -2.280 1.00 13.54 C ATOM 972 C THR A 64 -13.534 -0.832 -1.101 1.00 11.21 C ATOM 973 O THR A 64 -14.316 -1.780 -1.195 1.00 34.13 O ATOM 974 CB THR A 64 -12.663 -0.663 -3.432 1.00 52.55 C ATOM 975 OG1 THR A 64 -11.370 -1.135 -3.016 1.00 55.40 O ATOM 976 CG2 THR A 64 -12.515 0.200 -4.684 1.00 52.45 C ATOM 0 H THR A 64 -11.504 1.114 -1.904 1.00 20.11 H new ATOM 0 HA THR A 64 -14.293 0.523 -2.591 1.00 13.54 H new ATOM 0 HB THR A 64 -13.305 -1.510 -3.675 1.00 52.55 H new ATOM 0 HG1 THR A 64 -10.765 -0.373 -2.902 1.00 55.40 H new ATOM 0 HG21 THR A 64 -12.047 -0.385 -5.476 1.00 52.45 H new ATOM 0 HG22 THR A 64 -13.499 0.535 -5.014 1.00 52.45 H new ATOM 0 HG23 THR A 64 -11.894 1.067 -4.457 1.00 52.45 H new ATOM 984 N ARG A 65 -12.819 -0.585 -0.001 1.00 74.11 N ATOM 985 CA ARG A 65 -12.846 -1.464 1.181 1.00 41.21 C ATOM 986 C ARG A 65 -12.277 -2.860 0.856 1.00 43.00 C ATOM 987 O ARG A 65 -12.430 -3.801 1.639 1.00 44.52 O ATOM 988 CB ARG A 65 -14.278 -1.605 1.736 1.00 35.14 C ATOM 989 CG ARG A 65 -14.963 -0.286 2.090 1.00 23.13 C ATOM 990 CD ARG A 65 -14.142 0.549 3.068 1.00 20.00 C ATOM 991 NE ARG A 65 -13.764 -0.201 4.264 1.00 65.21 N ATOM 992 CZ ARG A 65 -12.931 0.245 5.164 1.00 33.14 C ATOM 993 NH1 ARG A 65 -12.504 1.462 5.111 1.00 73.03 N ATOM 994 NH2 ARG A 65 -12.568 -0.513 6.142 1.00 2.03 N ATOM 0 H ARG A 65 -12.207 0.224 0.100 1.00 74.11 H new ATOM 0 HA ARG A 65 -12.217 -0.999 1.940 1.00 41.21 H new ATOM 0 HB2 ARG A 65 -14.888 -2.128 0.999 1.00 35.14 H new ATOM 0 HB3 ARG A 65 -14.247 -2.232 2.627 1.00 35.14 H new ATOM 0 HG2 ARG A 65 -15.133 0.288 1.179 1.00 23.13 H new ATOM 0 HG3 ARG A 65 -15.941 -0.492 2.524 1.00 23.13 H new ATOM 0 HD2 ARG A 65 -13.242 0.907 2.568 1.00 20.00 H new ATOM 0 HD3 ARG A 65 -14.716 1.428 3.361 1.00 20.00 H new ATOM 0 HE ARG A 65 -14.174 -1.125 4.403 1.00 65.21 H new ATOM 0 HH11 ARG A 65 -12.818 2.080 4.363 1.00 73.03 H new ATOM 0 HH12 ARG A 65 -11.853 1.805 5.817 1.00 73.03 H new ATOM 0 HH21 ARG A 65 -12.932 -1.463 6.213 1.00 2.03 H new ATOM 0 HH22 ARG A 65 -11.917 -0.162 6.844 1.00 2.03 H new ATOM 1008 N GLN A 66 -11.609 -2.983 -0.294 1.00 31.23 N ATOM 1009 CA GLN A 66 -11.093 -4.277 -0.760 1.00 24.23 C ATOM 1010 C GLN A 66 -9.612 -4.481 -0.395 1.00 55.30 C ATOM 1011 O GLN A 66 -8.911 -3.541 -0.013 1.00 25.24 O ATOM 1012 CB GLN A 66 -11.279 -4.413 -2.280 1.00 34.23 C ATOM 1013 CG GLN A 66 -12.733 -4.324 -2.745 1.00 43.23 C ATOM 1014 CD GLN A 66 -13.642 -5.312 -2.032 1.00 35.23 C ATOM 1015 OE1 GLN A 66 -13.805 -6.449 -2.460 1.00 3.44 O ATOM 1016 NE2 GLN A 66 -14.264 -4.879 -0.953 1.00 31.53 N ATOM 0 H GLN A 66 -11.412 -2.203 -0.921 1.00 31.23 H new ATOM 0 HA GLN A 66 -11.668 -5.051 -0.251 1.00 24.23 H new ATOM 0 HB2 GLN A 66 -10.702 -3.633 -2.776 1.00 34.23 H new ATOM 0 HB3 GLN A 66 -10.865 -5.369 -2.601 1.00 34.23 H new ATOM 0 HG2 GLN A 66 -13.102 -3.312 -2.577 1.00 43.23 H new ATOM 0 HG3 GLN A 66 -12.778 -4.506 -3.819 1.00 43.23 H new ATOM 0 HE21 GLN A 66 -14.107 -3.927 -0.622 1.00 31.53 H new ATOM 0 HE22 GLN A 66 -14.902 -5.496 -0.450 1.00 31.53 H new ATOM 1025 N ARG A 67 -9.152 -5.723 -0.534 1.00 11.22 N ATOM 1026 CA ARG A 67 -7.780 -6.110 -0.180 1.00 53.32 C ATOM 1027 C ARG A 67 -6.995 -6.576 -1.414 1.00 32.12 C ATOM 1028 O ARG A 67 -7.567 -7.147 -2.343 1.00 63.00 O ATOM 1029 CB ARG A 67 -7.828 -7.244 0.852 1.00 64.20 C ATOM 1030 CG ARG A 67 -8.422 -6.833 2.196 1.00 13.42 C ATOM 1031 CD ARG A 67 -8.939 -8.033 2.982 1.00 3.32 C ATOM 1032 NE ARG A 67 -7.968 -9.128 3.056 1.00 40.53 N ATOM 1033 CZ ARG A 67 -8.022 -10.096 3.933 1.00 34.30 C ATOM 1034 NH1 ARG A 67 -8.943 -10.107 4.844 1.00 34.01 N ATOM 1035 NH2 ARG A 67 -7.155 -11.058 3.899 1.00 15.32 N ATOM 0 H ARG A 67 -9.717 -6.492 -0.895 1.00 11.22 H new ATOM 0 HA ARG A 67 -7.273 -5.239 0.236 1.00 53.32 H new ATOM 0 HB2 ARG A 67 -8.413 -8.068 0.444 1.00 64.20 H new ATOM 0 HB3 ARG A 67 -6.817 -7.619 1.012 1.00 64.20 H new ATOM 0 HG2 ARG A 67 -7.665 -6.314 2.783 1.00 13.42 H new ATOM 0 HG3 ARG A 67 -9.237 -6.128 2.032 1.00 13.42 H new ATOM 0 HD2 ARG A 67 -9.198 -7.715 3.992 1.00 3.32 H new ATOM 0 HD3 ARG A 67 -9.855 -8.398 2.518 1.00 3.32 H new ATOM 0 HE ARG A 67 -7.203 -9.135 2.382 1.00 40.53 H new ATOM 0 HH11 ARG A 67 -9.633 -9.357 4.881 1.00 34.01 H new ATOM 0 HH12 ARG A 67 -8.978 -10.866 5.525 1.00 34.01 H new ATOM 0 HH21 ARG A 67 -6.426 -11.062 3.186 1.00 15.32 H new ATOM 0 HH22 ARG A 67 -7.201 -11.811 4.586 1.00 15.32 H new ATOM 1049 N GLY A 68 -5.687 -6.328 -1.420 1.00 42.13 N ATOM 1050 CA GLY A 68 -4.842 -6.791 -2.517 1.00 44.21 C ATOM 1051 C GLY A 68 -3.460 -6.149 -2.519 1.00 30.12 C ATOM 1052 O GLY A 68 -3.144 -5.333 -1.652 1.00 53.45 O ATOM 0 H GLY A 68 -5.195 -5.816 -0.688 1.00 42.13 H new ATOM 0 HA2 GLY A 68 -4.733 -7.874 -2.452 1.00 44.21 H new ATOM 0 HA3 GLY A 68 -5.337 -6.577 -3.464 1.00 44.21 H new ATOM 1056 N ASP A 69 -2.637 -6.513 -3.500 1.00 44.42 N ATOM 1057 CA ASP A 69 -1.285 -5.959 -3.630 1.00 71.40 C ATOM 1058 C ASP A 69 -1.285 -4.675 -4.474 1.00 70.30 C ATOM 1059 O ASP A 69 -1.979 -4.584 -5.491 1.00 1.00 O ATOM 1060 CB ASP A 69 -0.362 -6.997 -4.271 1.00 34.13 C ATOM 1061 CG ASP A 69 -0.439 -8.341 -3.567 1.00 42.00 C ATOM 1062 OD1 ASP A 69 0.326 -8.564 -2.609 1.00 31.44 O ATOM 1063 OD2 ASP A 69 -1.277 -9.179 -3.968 1.00 15.31 O ATOM 0 H ASP A 69 -2.881 -7.192 -4.221 1.00 44.42 H new ATOM 0 HA ASP A 69 -0.924 -5.709 -2.632 1.00 71.40 H new ATOM 0 HB2 ASP A 69 -0.630 -7.122 -5.320 1.00 34.13 H new ATOM 0 HB3 ASP A 69 0.665 -6.633 -4.246 1.00 34.13 H new ATOM 1068 N PHE A 70 -0.495 -3.687 -4.062 1.00 71.13 N ATOM 1069 CA PHE A 70 -0.408 -2.411 -4.779 1.00 65.20 C ATOM 1070 C PHE A 70 1.053 -1.960 -4.960 1.00 13.44 C ATOM 1071 O PHE A 70 1.907 -2.237 -4.113 1.00 62.24 O ATOM 1072 CB PHE A 70 -1.215 -1.331 -4.041 1.00 65.53 C ATOM 1073 CG PHE A 70 -0.742 -1.055 -2.635 1.00 74.22 C ATOM 1074 CD1 PHE A 70 -1.262 -1.765 -1.561 1.00 11.15 C ATOM 1075 CD2 PHE A 70 0.219 -0.083 -2.386 1.00 4.43 C ATOM 1076 CE1 PHE A 70 -0.836 -1.510 -0.271 1.00 72.41 C ATOM 1077 CE2 PHE A 70 0.648 0.172 -1.098 1.00 15.12 C ATOM 1078 CZ PHE A 70 0.121 -0.542 -0.041 1.00 50.53 C ATOM 0 H PHE A 70 0.097 -3.743 -3.233 1.00 71.13 H new ATOM 0 HA PHE A 70 -0.833 -2.557 -5.772 1.00 65.20 H new ATOM 0 HB2 PHE A 70 -1.171 -0.405 -4.615 1.00 65.53 H new ATOM 0 HB3 PHE A 70 -2.261 -1.635 -4.007 1.00 65.53 H new ATOM 0 HD1 PHE A 70 -2.008 -2.526 -1.736 1.00 11.15 H new ATOM 0 HD2 PHE A 70 0.635 0.479 -3.209 1.00 4.43 H new ATOM 0 HE1 PHE A 70 -1.251 -2.067 0.556 1.00 72.41 H new ATOM 0 HE2 PHE A 70 1.396 0.930 -0.918 1.00 15.12 H new ATOM 0 HZ PHE A 70 0.457 -0.343 0.966 1.00 50.53 H new ATOM 1088 N PRO A 71 1.367 -1.276 -6.083 1.00 0.12 N ATOM 1089 CA PRO A 71 2.712 -0.729 -6.333 1.00 14.02 C ATOM 1090 C PRO A 71 3.076 0.418 -5.371 1.00 2.21 C ATOM 1091 O PRO A 71 2.518 1.516 -5.456 1.00 41.22 O ATOM 1092 CB PRO A 71 2.638 -0.213 -7.786 1.00 53.22 C ATOM 1093 CG PRO A 71 1.398 -0.820 -8.360 1.00 52.44 C ATOM 1094 CD PRO A 71 0.454 -0.993 -7.202 1.00 41.42 C ATOM 0 HA PRO A 71 3.484 -1.483 -6.176 1.00 14.02 H new ATOM 0 HB2 PRO A 71 2.592 0.876 -7.814 1.00 53.22 H new ATOM 0 HB3 PRO A 71 3.520 -0.510 -8.354 1.00 53.22 H new ATOM 0 HG2 PRO A 71 0.965 -0.176 -9.125 1.00 52.44 H new ATOM 0 HG3 PRO A 71 1.614 -1.777 -8.835 1.00 52.44 H new ATOM 0 HD2 PRO A 71 -0.139 -0.096 -7.025 1.00 41.42 H new ATOM 0 HD3 PRO A 71 -0.247 -1.810 -7.369 1.00 41.42 H new ATOM 1102 N GLY A 72 4.021 0.158 -4.468 1.00 3.23 N ATOM 1103 CA GLY A 72 4.443 1.158 -3.488 1.00 20.02 C ATOM 1104 C GLY A 72 5.058 2.414 -4.104 1.00 23.25 C ATOM 1105 O GLY A 72 5.284 3.404 -3.409 1.00 33.32 O ATOM 0 H GLY A 72 4.508 -0.735 -4.395 1.00 3.23 H new ATOM 0 HA2 GLY A 72 3.582 1.446 -2.885 1.00 20.02 H new ATOM 0 HA3 GLY A 72 5.168 0.705 -2.812 1.00 20.02 H new ATOM 1109 N THR A 73 5.333 2.376 -5.407 1.00 75.21 N ATOM 1110 CA THR A 73 5.893 3.531 -6.120 1.00 44.01 C ATOM 1111 C THR A 73 4.829 4.607 -6.393 1.00 14.42 C ATOM 1112 O THR A 73 5.158 5.771 -6.622 1.00 25.23 O ATOM 1113 CB THR A 73 6.530 3.110 -7.465 1.00 73.32 C ATOM 1114 OG1 THR A 73 5.550 2.461 -8.293 1.00 21.12 O ATOM 1115 CG2 THR A 73 7.710 2.167 -7.242 1.00 52.35 C ATOM 0 H THR A 73 5.178 1.557 -5.995 1.00 75.21 H new ATOM 0 HA THR A 73 6.661 3.948 -5.468 1.00 44.01 H new ATOM 0 HB THR A 73 6.892 4.010 -7.962 1.00 73.32 H new ATOM 0 HG1 THR A 73 5.962 2.199 -9.143 1.00 21.12 H new ATOM 0 HG21 THR A 73 8.139 1.887 -8.204 1.00 52.35 H new ATOM 0 HG22 THR A 73 8.467 2.668 -6.639 1.00 52.35 H new ATOM 0 HG23 THR A 73 7.367 1.272 -6.723 1.00 52.35 H new ATOM 1123 N TYR A 74 3.554 4.214 -6.369 1.00 42.32 N ATOM 1124 CA TYR A 74 2.444 5.154 -6.605 1.00 71.14 C ATOM 1125 C TYR A 74 1.746 5.576 -5.302 1.00 53.05 C ATOM 1126 O TYR A 74 0.674 6.179 -5.339 1.00 61.42 O ATOM 1127 CB TYR A 74 1.420 4.548 -7.580 1.00 34.20 C ATOM 1128 CG TYR A 74 1.803 4.708 -9.039 1.00 3.31 C ATOM 1129 CD1 TYR A 74 1.468 5.866 -9.733 1.00 74.21 C ATOM 1130 CD2 TYR A 74 2.494 3.712 -9.721 1.00 0.55 C ATOM 1131 CE1 TYR A 74 1.811 6.028 -11.060 1.00 44.20 C ATOM 1132 CE2 TYR A 74 2.842 3.870 -11.051 1.00 30.55 C ATOM 1133 CZ TYR A 74 2.495 5.029 -11.715 1.00 44.52 C ATOM 1134 OH TYR A 74 2.839 5.194 -13.039 1.00 23.13 O ATOM 0 H TYR A 74 3.259 3.254 -6.189 1.00 42.32 H new ATOM 0 HA TYR A 74 2.878 6.051 -7.048 1.00 71.14 H new ATOM 0 HB2 TYR A 74 1.303 3.487 -7.358 1.00 34.20 H new ATOM 0 HB3 TYR A 74 0.450 5.018 -7.414 1.00 34.20 H new ATOM 0 HD1 TYR A 74 0.930 6.652 -9.224 1.00 74.21 H new ATOM 0 HD2 TYR A 74 2.763 2.802 -9.205 1.00 0.55 H new ATOM 0 HE1 TYR A 74 1.544 6.935 -11.582 1.00 44.20 H new ATOM 0 HE2 TYR A 74 3.382 3.090 -11.567 1.00 30.55 H new ATOM 0 HH TYR A 74 3.319 4.399 -13.354 1.00 23.13 H new ATOM 1144 N VAL A 75 2.356 5.271 -4.157 1.00 25.43 N ATOM 1145 CA VAL A 75 1.811 5.680 -2.855 1.00 15.34 C ATOM 1146 C VAL A 75 2.884 6.359 -1.987 1.00 3.14 C ATOM 1147 O VAL A 75 4.078 6.075 -2.111 1.00 4.13 O ATOM 1148 CB VAL A 75 1.211 4.480 -2.072 1.00 11.31 C ATOM 1149 CG1 VAL A 75 0.083 3.817 -2.861 1.00 4.25 C ATOM 1150 CG2 VAL A 75 2.295 3.464 -1.715 1.00 4.41 C ATOM 0 H VAL A 75 3.227 4.743 -4.101 1.00 25.43 H new ATOM 0 HA VAL A 75 1.014 6.392 -3.068 1.00 15.34 H new ATOM 0 HB VAL A 75 0.789 4.865 -1.144 1.00 11.31 H new ATOM 0 HG11 VAL A 75 -0.318 2.980 -2.289 1.00 4.25 H new ATOM 0 HG12 VAL A 75 -0.708 4.544 -3.045 1.00 4.25 H new ATOM 0 HG13 VAL A 75 0.470 3.453 -3.813 1.00 4.25 H new ATOM 0 HG21 VAL A 75 1.849 2.634 -1.167 1.00 4.41 H new ATOM 0 HG22 VAL A 75 2.758 3.090 -2.628 1.00 4.41 H new ATOM 0 HG23 VAL A 75 3.052 3.943 -1.094 1.00 4.41 H new ATOM 1160 N GLU A 76 2.452 7.264 -1.112 1.00 32.14 N ATOM 1161 CA GLU A 76 3.366 7.951 -0.188 1.00 64.13 C ATOM 1162 C GLU A 76 3.010 7.651 1.276 1.00 52.24 C ATOM 1163 O GLU A 76 1.836 7.506 1.624 1.00 21.35 O ATOM 1164 CB GLU A 76 3.346 9.468 -0.437 1.00 3.34 C ATOM 1165 CG GLU A 76 1.957 10.095 -0.338 1.00 74.21 C ATOM 1166 CD GLU A 76 1.969 11.608 -0.506 1.00 5.43 C ATOM 1167 OE1 GLU A 76 2.670 12.113 -1.407 1.00 13.42 O ATOM 1168 OE2 GLU A 76 1.247 12.298 0.243 1.00 62.24 O ATOM 0 H GLU A 76 1.475 7.542 -1.019 1.00 32.14 H new ATOM 0 HA GLU A 76 4.372 7.575 -0.377 1.00 64.13 H new ATOM 0 HB2 GLU A 76 4.005 9.953 0.284 1.00 3.34 H new ATOM 0 HB3 GLU A 76 3.754 9.669 -1.427 1.00 3.34 H new ATOM 0 HG2 GLU A 76 1.312 9.656 -1.100 1.00 74.21 H new ATOM 0 HG3 GLU A 76 1.521 9.847 0.630 1.00 74.21 H new ATOM 1175 N PHE A 77 4.029 7.558 2.125 1.00 70.32 N ATOM 1176 CA PHE A 77 3.835 7.269 3.549 1.00 33.51 C ATOM 1177 C PHE A 77 3.258 8.484 4.295 1.00 22.01 C ATOM 1178 O PHE A 77 3.886 9.541 4.360 1.00 54.02 O ATOM 1179 CB PHE A 77 5.167 6.842 4.184 1.00 72.54 C ATOM 1180 CG PHE A 77 5.075 6.548 5.664 1.00 63.22 C ATOM 1181 CD1 PHE A 77 4.549 5.346 6.114 1.00 75.54 C ATOM 1182 CD2 PHE A 77 5.517 7.472 6.602 1.00 2.11 C ATOM 1183 CE1 PHE A 77 4.465 5.074 7.465 1.00 60.52 C ATOM 1184 CE2 PHE A 77 5.435 7.202 7.954 1.00 24.20 C ATOM 1185 CZ PHE A 77 4.907 6.002 8.386 1.00 52.45 C ATOM 0 H PHE A 77 5.005 7.679 1.853 1.00 70.32 H new ATOM 0 HA PHE A 77 3.117 6.453 3.633 1.00 33.51 H new ATOM 0 HB2 PHE A 77 5.535 5.954 3.670 1.00 72.54 H new ATOM 0 HB3 PHE A 77 5.903 7.630 4.025 1.00 72.54 H new ATOM 0 HD1 PHE A 77 4.201 4.615 5.400 1.00 75.54 H new ATOM 0 HD2 PHE A 77 5.930 8.413 6.270 1.00 2.11 H new ATOM 0 HE1 PHE A 77 4.053 4.134 7.801 1.00 60.52 H new ATOM 0 HE2 PHE A 77 5.784 7.929 8.673 1.00 24.20 H new ATOM 0 HZ PHE A 77 4.840 5.790 9.443 1.00 52.45 H new ATOM 1195 N LEU A 78 2.061 8.322 4.852 1.00 4.55 N ATOM 1196 CA LEU A 78 1.409 9.388 5.620 1.00 55.43 C ATOM 1197 C LEU A 78 1.830 9.339 7.095 1.00 74.20 C ATOM 1198 O LEU A 78 2.374 10.305 7.633 1.00 43.22 O ATOM 1199 CB LEU A 78 -0.115 9.255 5.503 1.00 31.43 C ATOM 1200 CG LEU A 78 -0.670 9.330 4.072 1.00 40.21 C ATOM 1201 CD1 LEU A 78 -2.174 9.075 4.067 1.00 74.03 C ATOM 1202 CD2 LEU A 78 -0.345 10.682 3.437 1.00 51.21 C ATOM 0 H LEU A 78 1.518 7.461 4.788 1.00 4.55 H new ATOM 0 HA LEU A 78 1.721 10.348 5.210 1.00 55.43 H new ATOM 0 HB2 LEU A 78 -0.416 8.304 5.943 1.00 31.43 H new ATOM 0 HB3 LEU A 78 -0.579 10.042 6.097 1.00 31.43 H new ATOM 0 HG LEU A 78 -0.191 8.553 3.476 1.00 40.21 H new ATOM 0 HD11 LEU A 78 -2.549 9.132 3.045 1.00 74.03 H new ATOM 0 HD12 LEU A 78 -2.376 8.084 4.473 1.00 74.03 H new ATOM 0 HD13 LEU A 78 -2.672 9.827 4.679 1.00 74.03 H new ATOM 0 HD21 LEU A 78 -0.747 10.714 2.424 1.00 51.21 H new ATOM 0 HD22 LEU A 78 -0.792 11.480 4.030 1.00 51.21 H new ATOM 0 HD23 LEU A 78 0.736 10.818 3.403 1.00 51.21 H new ATOM 1214 N GLY A 79 1.576 8.200 7.739 1.00 3.14 N ATOM 1215 CA GLY A 79 1.922 8.036 9.147 1.00 2.44 C ATOM 1216 C GLY A 79 1.342 6.763 9.758 1.00 3.14 C ATOM 1217 O GLY A 79 0.832 5.900 9.038 1.00 1.14 O ATOM 0 H GLY A 79 1.136 7.385 7.311 1.00 3.14 H new ATOM 0 HA2 GLY A 79 3.007 8.020 9.250 1.00 2.44 H new ATOM 0 HA3 GLY A 79 1.561 8.899 9.707 1.00 2.44 H new ATOM 1221 N PRO A 80 1.417 6.613 11.093 1.00 43.02 N ATOM 1222 CA PRO A 80 0.865 5.442 11.799 1.00 74.51 C ATOM 1223 C PRO A 80 -0.656 5.535 12.045 1.00 42.23 C ATOM 1224 O PRO A 80 -1.315 6.487 11.616 1.00 40.21 O ATOM 1225 CB PRO A 80 1.631 5.471 13.125 1.00 11.31 C ATOM 1226 CG PRO A 80 1.879 6.921 13.380 1.00 61.10 C ATOM 1227 CD PRO A 80 2.064 7.561 12.023 1.00 72.12 C ATOM 0 HA PRO A 80 0.982 4.523 11.224 1.00 74.51 H new ATOM 0 HB2 PRO A 80 1.050 5.020 13.929 1.00 11.31 H new ATOM 0 HB3 PRO A 80 2.566 4.914 13.056 1.00 11.31 H new ATOM 0 HG2 PRO A 80 1.041 7.372 13.912 1.00 61.10 H new ATOM 0 HG3 PRO A 80 2.764 7.062 14.001 1.00 61.10 H new ATOM 0 HD2 PRO A 80 1.598 8.545 11.979 1.00 72.12 H new ATOM 0 HD3 PRO A 80 3.119 7.697 11.786 1.00 72.12 H new ATOM 1235 N LEU A 81 -1.205 4.538 12.740 1.00 31.24 N ATOM 1236 CA LEU A 81 -2.640 4.499 13.050 1.00 62.44 C ATOM 1237 C LEU A 81 -2.954 5.274 14.341 1.00 41.31 C ATOM 1238 O LEU A 81 -2.487 4.909 15.423 1.00 21.12 O ATOM 1239 CB LEU A 81 -3.103 3.041 13.193 1.00 33.22 C ATOM 1240 CG LEU A 81 -2.950 2.174 11.931 1.00 74.14 C ATOM 1241 CD1 LEU A 81 -3.336 0.725 12.224 1.00 51.43 C ATOM 1242 CD2 LEU A 81 -3.786 2.734 10.781 1.00 11.54 C ATOM 0 H LEU A 81 -0.678 3.743 13.101 1.00 31.24 H new ATOM 0 HA LEU A 81 -3.177 4.975 12.229 1.00 62.44 H new ATOM 0 HB2 LEU A 81 -2.540 2.577 14.003 1.00 33.22 H new ATOM 0 HB3 LEU A 81 -4.152 3.038 13.491 1.00 33.22 H new ATOM 0 HG LEU A 81 -1.903 2.195 11.629 1.00 74.14 H new ATOM 0 HD11 LEU A 81 -3.221 0.128 11.319 1.00 51.43 H new ATOM 0 HD12 LEU A 81 -2.689 0.327 13.006 1.00 51.43 H new ATOM 0 HD13 LEU A 81 -4.373 0.685 12.556 1.00 51.43 H new ATOM 0 HD21 LEU A 81 -3.661 2.104 9.900 1.00 11.54 H new ATOM 0 HD22 LEU A 81 -4.837 2.750 11.070 1.00 11.54 H new ATOM 0 HD23 LEU A 81 -3.457 3.748 10.552 1.00 11.54 H new