USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 437 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 31 GLN : amide:sc= -0.0305 X(o=0.044,f=-0.35) USER MOD Set 1.2: A 75 TYR OH : rot 30:sc= 0.0741 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 138:sc= 0.366 (180deg=-0.57) USER MOD Single : A 29 GLN : amide:sc= -0.523 K(o=-0.52,f=-1.7) USER MOD Single : A 33 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 40 GLN : amide:sc=-0.00153 K(o=-0.0015,f=-0.87) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= -0.116 (180deg=-0.586) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0345 USER MOD Single : A 53 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00418) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -149:sc= -0.306 USER MOD Single : A 59 THR OG1 : rot 82:sc= 1.33 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 68:sc= 0.24 USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 20 -1.715 0.670 -2.363 1.00 42.50 N ATOM 26 CA ASP A 20 -2.152 1.547 -3.447 1.00 70.42 C ATOM 27 C ASP A 20 -1.940 3.017 -3.109 1.00 71.45 C ATOM 28 O ASP A 20 -2.858 3.690 -2.636 1.00 52.12 O ATOM 29 CB ASP A 20 -3.639 1.345 -3.756 1.00 73.03 C ATOM 30 CG ASP A 20 -4.048 -0.108 -3.866 1.00 5.55 C ATOM 31 OD1 ASP A 20 -4.089 -0.796 -2.822 1.00 33.42 O ATOM 32 OD2 ASP A 20 -4.358 -0.555 -4.989 1.00 33.14 O ATOM 0 HA ASP A 20 -1.547 1.282 -4.314 1.00 70.42 H new ATOM 0 HB2 ASP A 20 -4.231 1.821 -2.974 1.00 73.03 H new ATOM 0 HB3 ASP A 20 -3.878 1.852 -4.691 1.00 73.03 H new ATOM 37 N LYS A 21 -0.731 3.506 -3.319 1.00 43.43 N ATOM 38 CA LYS A 21 -0.469 4.930 -3.226 1.00 63.51 C ATOM 39 C LYS A 21 -0.399 5.493 -4.634 1.00 51.55 C ATOM 40 O LYS A 21 0.510 5.160 -5.394 1.00 45.32 O ATOM 41 CB LYS A 21 0.846 5.186 -2.479 1.00 3.33 C ATOM 42 CG LYS A 21 0.873 4.620 -1.063 1.00 72.31 C ATOM 43 CD LYS A 21 -0.147 5.305 -0.163 1.00 3.53 C ATOM 44 CE LYS A 21 0.204 6.767 0.072 1.00 53.02 C ATOM 45 NZ LYS A 21 -0.782 7.437 0.958 1.00 22.30 N ATOM 0 H LYS A 21 0.083 2.939 -3.555 1.00 43.43 H new ATOM 0 HA LYS A 21 -1.267 5.420 -2.669 1.00 63.51 H new ATOM 0 HB2 LYS A 21 1.667 4.751 -3.049 1.00 3.33 H new ATOM 0 HB3 LYS A 21 1.023 6.261 -2.434 1.00 3.33 H new ATOM 0 HG2 LYS A 21 0.669 3.550 -1.095 1.00 72.31 H new ATOM 0 HG3 LYS A 21 1.871 4.742 -0.641 1.00 72.31 H new ATOM 0 HD2 LYS A 21 -1.136 5.236 -0.615 1.00 3.53 H new ATOM 0 HD3 LYS A 21 -0.197 4.784 0.793 1.00 3.53 H new ATOM 0 HE2 LYS A 21 1.197 6.835 0.517 1.00 53.02 H new ATOM 0 HE3 LYS A 21 0.246 7.289 -0.884 1.00 53.02 H new ATOM 0 HZ1 LYS A 21 -0.508 8.431 1.094 1.00 22.30 H new ATOM 0 HZ2 LYS A 21 -1.725 7.394 0.522 1.00 22.30 H new ATOM 0 HZ3 LYS A 21 -0.804 6.955 1.879 1.00 22.30 H new ATOM 59 N ASP A 22 -1.352 6.342 -4.981 1.00 34.13 N ATOM 60 CA ASP A 22 -1.472 6.819 -6.348 1.00 44.34 C ATOM 61 C ASP A 22 -0.524 7.975 -6.610 1.00 1.03 C ATOM 62 O ASP A 22 -0.719 9.092 -6.138 1.00 33.22 O ATOM 63 CB ASP A 22 -2.922 7.203 -6.677 1.00 41.44 C ATOM 64 CG ASP A 22 -3.505 8.233 -5.733 1.00 13.44 C ATOM 65 OD1 ASP A 22 -3.753 7.887 -4.554 1.00 43.23 O ATOM 66 OD2 ASP A 22 -3.724 9.385 -6.164 1.00 72.12 O ATOM 0 H ASP A 22 -2.051 6.714 -4.338 1.00 34.13 H new ATOM 0 HA ASP A 22 -1.188 6.001 -7.011 1.00 44.34 H new ATOM 0 HB2 ASP A 22 -2.964 7.590 -7.695 1.00 41.44 H new ATOM 0 HB3 ASP A 22 -3.541 6.306 -6.651 1.00 41.44 H new ATOM 71 N LEU A 23 0.526 7.675 -7.350 1.00 44.53 N ATOM 72 CA LEU A 23 1.503 8.669 -7.748 1.00 21.31 C ATOM 73 C LEU A 23 0.983 9.463 -8.941 1.00 11.11 C ATOM 74 O LEU A 23 0.877 10.687 -8.897 1.00 53.35 O ATOM 75 CB LEU A 23 2.816 7.971 -8.102 1.00 0.22 C ATOM 76 CG LEU A 23 3.977 8.886 -8.486 1.00 13.11 C ATOM 77 CD1 LEU A 23 4.364 9.789 -7.323 1.00 31.21 C ATOM 78 CD2 LEU A 23 5.162 8.049 -8.937 1.00 53.03 C ATOM 0 H LEU A 23 0.725 6.735 -7.692 1.00 44.53 H new ATOM 0 HA LEU A 23 1.677 9.361 -6.924 1.00 21.31 H new ATOM 0 HB2 LEU A 23 3.123 7.365 -7.250 1.00 0.22 H new ATOM 0 HB3 LEU A 23 2.629 7.287 -8.930 1.00 0.22 H new ATOM 0 HG LEU A 23 3.662 9.525 -9.311 1.00 13.11 H new ATOM 0 HD11 LEU A 23 5.193 10.431 -7.621 1.00 31.21 H new ATOM 0 HD12 LEU A 23 3.510 10.406 -7.041 1.00 31.21 H new ATOM 0 HD13 LEU A 23 4.666 9.178 -6.473 1.00 31.21 H new ATOM 0 HD21 LEU A 23 5.988 8.705 -9.210 1.00 53.03 H new ATOM 0 HD22 LEU A 23 5.474 7.392 -8.125 1.00 53.03 H new ATOM 0 HD23 LEU A 23 4.876 7.448 -9.800 1.00 53.03 H new ATOM 90 N LEU A 24 0.622 8.747 -9.993 1.00 4.21 N ATOM 91 CA LEU A 24 0.134 9.368 -11.214 1.00 65.34 C ATOM 92 C LEU A 24 -1.386 9.471 -11.168 1.00 13.03 C ATOM 93 O LEU A 24 -2.024 8.850 -10.320 1.00 73.42 O ATOM 94 CB LEU A 24 0.574 8.541 -12.426 1.00 34.34 C ATOM 95 CG LEU A 24 2.080 8.274 -12.518 1.00 3.34 C ATOM 96 CD1 LEU A 24 2.384 7.294 -13.640 1.00 62.23 C ATOM 97 CD2 LEU A 24 2.844 9.575 -12.723 1.00 12.33 C ATOM 0 H LEU A 24 0.658 7.728 -10.026 1.00 4.21 H new ATOM 0 HA LEU A 24 0.552 10.371 -11.302 1.00 65.34 H new ATOM 0 HB2 LEU A 24 0.052 7.584 -12.403 1.00 34.34 H new ATOM 0 HB3 LEU A 24 0.256 9.056 -13.333 1.00 34.34 H new ATOM 0 HG LEU A 24 2.405 7.829 -11.578 1.00 3.34 H new ATOM 0 HD11 LEU A 24 3.459 7.118 -13.688 1.00 62.23 H new ATOM 0 HD12 LEU A 24 1.870 6.352 -13.449 1.00 62.23 H new ATOM 0 HD13 LEU A 24 2.041 7.709 -14.588 1.00 62.23 H new ATOM 0 HD21 LEU A 24 3.912 9.364 -12.786 1.00 12.33 H new ATOM 0 HD22 LEU A 24 2.513 10.050 -13.647 1.00 12.33 H new ATOM 0 HD23 LEU A 24 2.655 10.244 -11.883 1.00 12.33 H new ATOM 109 N LYS A 25 -1.961 10.282 -12.050 1.00 62.25 N ATOM 110 CA LYS A 25 -3.412 10.406 -12.139 1.00 0.13 C ATOM 111 C LYS A 25 -3.842 10.506 -13.597 1.00 2.31 C ATOM 112 O LYS A 25 -3.492 11.464 -14.282 1.00 43.41 O ATOM 113 CB LYS A 25 -3.932 11.647 -11.388 1.00 1.00 C ATOM 114 CG LYS A 25 -3.621 11.685 -9.897 1.00 3.11 C ATOM 115 CD LYS A 25 -2.251 12.285 -9.616 1.00 45.14 C ATOM 116 CE LYS A 25 -1.979 12.400 -8.123 1.00 70.33 C ATOM 117 NZ LYS A 25 -2.023 11.079 -7.439 1.00 64.14 N ATOM 0 H LYS A 25 -1.446 10.862 -12.712 1.00 62.25 H new ATOM 0 HA LYS A 25 -3.837 9.515 -11.676 1.00 0.13 H new ATOM 0 HB2 LYS A 25 -3.508 12.537 -11.853 1.00 1.00 H new ATOM 0 HB3 LYS A 25 -5.013 11.703 -11.518 1.00 1.00 H new ATOM 0 HG2 LYS A 25 -4.385 12.268 -9.382 1.00 3.11 H new ATOM 0 HG3 LYS A 25 -3.664 10.674 -9.492 1.00 3.11 H new ATOM 0 HD2 LYS A 25 -1.482 11.667 -10.079 1.00 45.14 H new ATOM 0 HD3 LYS A 25 -2.186 13.272 -10.074 1.00 45.14 H new ATOM 0 HE2 LYS A 25 -1.001 12.855 -7.968 1.00 70.33 H new ATOM 0 HE3 LYS A 25 -2.715 13.065 -7.672 1.00 70.33 H new ATOM 0 HZ1 LYS A 25 -1.242 11.016 -6.755 1.00 64.14 H new ATOM 0 HZ2 LYS A 25 -2.930 10.977 -6.940 1.00 64.14 H new ATOM 0 HZ3 LYS A 25 -1.928 10.320 -8.144 1.00 64.14 H new ATOM 131 N GLY A 26 -4.591 9.516 -14.064 1.00 41.30 N ATOM 132 CA GLY A 26 -5.161 9.579 -15.398 1.00 55.25 C ATOM 133 C GLY A 26 -4.166 9.266 -16.502 1.00 23.10 C ATOM 134 O GLY A 26 -4.341 9.708 -17.638 1.00 42.32 O ATOM 0 H GLY A 26 -4.815 8.668 -13.543 1.00 41.30 H new ATOM 0 HA2 GLY A 26 -5.993 8.878 -15.461 1.00 55.25 H new ATOM 0 HA3 GLY A 26 -5.571 10.576 -15.562 1.00 55.25 H new ATOM 138 N LEU A 27 -3.130 8.498 -16.185 1.00 4.03 N ATOM 139 CA LEU A 27 -2.124 8.132 -17.179 1.00 0.35 C ATOM 140 C LEU A 27 -2.332 6.703 -17.662 1.00 22.45 C ATOM 141 O LEU A 27 -2.859 5.863 -16.935 1.00 73.12 O ATOM 142 CB LEU A 27 -0.700 8.279 -16.618 1.00 21.21 C ATOM 143 CG LEU A 27 -0.118 9.700 -16.625 1.00 1.51 C ATOM 144 CD1 LEU A 27 -0.832 10.593 -15.626 1.00 22.43 C ATOM 145 CD2 LEU A 27 1.373 9.664 -16.329 1.00 4.12 C ATOM 0 H LEU A 27 -2.964 8.118 -15.253 1.00 4.03 H new ATOM 0 HA LEU A 27 -2.240 8.816 -18.020 1.00 0.35 H new ATOM 0 HB2 LEU A 27 -0.695 7.911 -15.592 1.00 21.21 H new ATOM 0 HB3 LEU A 27 -0.036 7.633 -17.192 1.00 21.21 H new ATOM 0 HG LEU A 27 -0.270 10.119 -17.620 1.00 1.51 H new ATOM 0 HD11 LEU A 27 -0.397 11.592 -15.655 1.00 22.43 H new ATOM 0 HD12 LEU A 27 -1.890 10.651 -15.881 1.00 22.43 H new ATOM 0 HD13 LEU A 27 -0.722 10.178 -14.624 1.00 22.43 H new ATOM 0 HD21 LEU A 27 1.770 10.679 -16.338 1.00 4.12 H new ATOM 0 HD22 LEU A 27 1.539 9.218 -15.348 1.00 4.12 H new ATOM 0 HD23 LEU A 27 1.880 9.069 -17.089 1.00 4.12 H new ATOM 157 N ASP A 28 -1.921 6.438 -18.895 1.00 3.42 N ATOM 158 CA ASP A 28 -1.980 5.093 -19.454 1.00 62.35 C ATOM 159 C ASP A 28 -0.584 4.465 -19.402 1.00 34.34 C ATOM 160 O ASP A 28 0.380 5.133 -19.025 1.00 21.44 O ATOM 161 CB ASP A 28 -2.509 5.137 -20.895 1.00 34.43 C ATOM 162 CG ASP A 28 -2.914 3.771 -21.423 1.00 45.55 C ATOM 163 OD1 ASP A 28 -2.043 3.045 -21.940 1.00 31.55 O ATOM 164 OD2 ASP A 28 -4.108 3.413 -21.321 1.00 61.44 O ATOM 0 H ASP A 28 -1.541 7.140 -19.530 1.00 3.42 H new ATOM 0 HA ASP A 28 -2.665 4.482 -18.866 1.00 62.35 H new ATOM 0 HB2 ASP A 28 -3.368 5.807 -20.940 1.00 34.43 H new ATOM 0 HB3 ASP A 28 -1.742 5.558 -21.545 1.00 34.43 H new ATOM 169 N GLN A 29 -0.472 3.202 -19.802 1.00 71.30 N ATOM 170 CA GLN A 29 0.780 2.455 -19.699 1.00 53.22 C ATOM 171 C GLN A 29 1.866 3.097 -20.556 1.00 15.23 C ATOM 172 O GLN A 29 3.028 3.150 -20.157 1.00 40.24 O ATOM 173 CB GLN A 29 0.547 0.994 -20.119 1.00 34.22 C ATOM 174 CG GLN A 29 1.684 0.033 -19.770 1.00 71.41 C ATOM 175 CD GLN A 29 2.849 0.082 -20.747 1.00 32.33 C ATOM 176 OE1 GLN A 29 2.676 0.383 -21.926 1.00 75.13 O ATOM 177 NE2 GLN A 29 4.043 -0.225 -20.262 1.00 32.03 N ATOM 0 H GLN A 29 -1.242 2.668 -20.205 1.00 71.30 H new ATOM 0 HA GLN A 29 1.119 2.476 -18.663 1.00 53.22 H new ATOM 0 HB2 GLN A 29 -0.368 0.637 -19.647 1.00 34.22 H new ATOM 0 HB3 GLN A 29 0.383 0.963 -21.196 1.00 34.22 H new ATOM 0 HG2 GLN A 29 2.050 0.266 -18.770 1.00 71.41 H new ATOM 0 HG3 GLN A 29 1.291 -0.983 -19.737 1.00 71.41 H new ATOM 0 HE21 GLN A 29 4.146 -0.470 -19.277 1.00 32.03 H new ATOM 0 HE22 GLN A 29 4.859 -0.217 -20.873 1.00 32.03 H new ATOM 186 N GLU A 30 1.476 3.608 -21.718 1.00 31.02 N ATOM 187 CA GLU A 30 2.423 4.220 -22.643 1.00 41.44 C ATOM 188 C GLU A 30 3.138 5.414 -22.008 1.00 20.24 C ATOM 189 O GLU A 30 4.329 5.619 -22.229 1.00 63.23 O ATOM 190 CB GLU A 30 1.714 4.644 -23.932 1.00 25.03 C ATOM 191 CG GLU A 30 0.492 5.519 -23.710 1.00 73.42 C ATOM 192 CD GLU A 30 -0.164 5.922 -25.011 1.00 45.13 C ATOM 193 OE1 GLU A 30 0.267 6.932 -25.605 1.00 10.44 O ATOM 194 OE2 GLU A 30 -1.110 5.233 -25.447 1.00 63.20 O ATOM 0 H GLU A 30 0.509 3.611 -22.043 1.00 31.02 H new ATOM 0 HA GLU A 30 3.179 3.473 -22.886 1.00 41.44 H new ATOM 0 HB2 GLU A 30 2.422 5.181 -24.563 1.00 25.03 H new ATOM 0 HB3 GLU A 30 1.413 3.751 -24.479 1.00 25.03 H new ATOM 0 HG2 GLU A 30 -0.229 4.984 -23.092 1.00 73.42 H new ATOM 0 HG3 GLU A 30 0.783 6.413 -23.159 1.00 73.42 H new ATOM 201 N GLN A 31 2.415 6.188 -21.208 1.00 24.43 N ATOM 202 CA GLN A 31 3.011 7.327 -20.524 1.00 11.43 C ATOM 203 C GLN A 31 3.634 6.887 -19.200 1.00 32.24 C ATOM 204 O GLN A 31 4.658 7.422 -18.778 1.00 24.21 O ATOM 205 CB GLN A 31 1.970 8.429 -20.296 1.00 42.54 C ATOM 206 CG GLN A 31 2.525 9.670 -19.607 1.00 14.33 C ATOM 207 CD GLN A 31 3.702 10.289 -20.342 1.00 62.23 C ATOM 208 OE1 GLN A 31 3.808 10.203 -21.563 1.00 12.44 O ATOM 209 NE2 GLN A 31 4.593 10.923 -19.596 1.00 71.34 N ATOM 0 H GLN A 31 1.423 6.049 -21.018 1.00 24.43 H new ATOM 0 HA GLN A 31 3.800 7.734 -21.156 1.00 11.43 H new ATOM 0 HB2 GLN A 31 1.545 8.718 -21.257 1.00 42.54 H new ATOM 0 HB3 GLN A 31 1.154 8.026 -19.695 1.00 42.54 H new ATOM 0 HG2 GLN A 31 1.732 10.412 -19.516 1.00 14.33 H new ATOM 0 HG3 GLN A 31 2.834 9.408 -18.595 1.00 14.33 H new ATOM 0 HE21 GLN A 31 4.469 10.972 -18.585 1.00 71.34 H new ATOM 0 HE22 GLN A 31 5.404 11.362 -20.032 1.00 71.34 H new ATOM 218 N ALA A 32 3.023 5.893 -18.561 1.00 11.45 N ATOM 219 CA ALA A 32 3.546 5.341 -17.314 1.00 43.23 C ATOM 220 C ALA A 32 4.927 4.736 -17.535 1.00 43.45 C ATOM 221 O ALA A 32 5.748 4.684 -16.621 1.00 2.32 O ATOM 222 CB ALA A 32 2.595 4.292 -16.755 1.00 20.15 C ATOM 0 H ALA A 32 2.163 5.452 -18.887 1.00 11.45 H new ATOM 0 HA ALA A 32 3.634 6.152 -16.591 1.00 43.23 H new ATOM 0 HB1 ALA A 32 3.001 3.891 -15.826 1.00 20.15 H new ATOM 0 HB2 ALA A 32 1.624 4.748 -16.560 1.00 20.15 H new ATOM 0 HB3 ALA A 32 2.478 3.485 -17.478 1.00 20.15 H new ATOM 228 N ASN A 33 5.169 4.287 -18.762 1.00 1.40 N ATOM 229 CA ASN A 33 6.457 3.724 -19.151 1.00 74.51 C ATOM 230 C ASN A 33 7.580 4.741 -18.954 1.00 44.45 C ATOM 231 O ASN A 33 8.655 4.404 -18.464 1.00 40.50 O ATOM 232 CB ASN A 33 6.410 3.268 -20.613 1.00 55.50 C ATOM 233 CG ASN A 33 7.720 2.665 -21.082 1.00 21.02 C ATOM 234 OD1 ASN A 33 7.966 1.472 -20.903 1.00 44.31 O ATOM 235 ND2 ASN A 33 8.559 3.475 -21.707 1.00 20.03 N ATOM 0 H ASN A 33 4.479 4.303 -19.513 1.00 1.40 H new ATOM 0 HA ASN A 33 6.661 2.864 -18.514 1.00 74.51 H new ATOM 0 HB2 ASN A 33 5.613 2.534 -20.735 1.00 55.50 H new ATOM 0 HB3 ASN A 33 6.159 4.119 -21.247 1.00 55.50 H new ATOM 0 HD21 ASN A 33 9.446 3.117 -22.060 1.00 20.03 H new ATOM 0 HD22 ASN A 33 8.319 4.458 -21.836 1.00 20.03 H new ATOM 242 N GLU A 34 7.309 5.991 -19.316 1.00 41.34 N ATOM 243 CA GLU A 34 8.297 7.058 -19.189 1.00 4.55 C ATOM 244 C GLU A 34 8.543 7.380 -17.719 1.00 1.42 C ATOM 245 O GLU A 34 9.635 7.799 -17.331 1.00 64.23 O ATOM 246 CB GLU A 34 7.824 8.313 -19.932 1.00 41.41 C ATOM 247 CG GLU A 34 7.522 8.072 -21.402 1.00 44.51 C ATOM 248 CD GLU A 34 8.680 7.426 -22.127 1.00 15.13 C ATOM 249 OE1 GLU A 34 9.648 8.138 -22.465 1.00 61.35 O ATOM 250 OE2 GLU A 34 8.630 6.200 -22.358 1.00 55.50 O ATOM 0 H GLU A 34 6.413 6.291 -19.700 1.00 41.34 H new ATOM 0 HA GLU A 34 9.232 6.719 -19.634 1.00 4.55 H new ATOM 0 HB2 GLU A 34 6.929 8.698 -19.444 1.00 41.41 H new ATOM 0 HB3 GLU A 34 8.589 9.085 -19.849 1.00 41.41 H new ATOM 0 HG2 GLU A 34 6.641 7.436 -21.490 1.00 44.51 H new ATOM 0 HG3 GLU A 34 7.280 9.021 -21.881 1.00 44.51 H new ATOM 257 N VAL A 35 7.514 7.165 -16.910 1.00 34.01 N ATOM 258 CA VAL A 35 7.585 7.415 -15.481 1.00 54.10 C ATOM 259 C VAL A 35 8.336 6.294 -14.768 1.00 64.02 C ATOM 260 O VAL A 35 9.283 6.548 -14.031 1.00 61.24 O ATOM 261 CB VAL A 35 6.169 7.572 -14.878 1.00 34.30 C ATOM 262 CG1 VAL A 35 6.219 7.654 -13.361 1.00 45.12 C ATOM 263 CG2 VAL A 35 5.486 8.803 -15.454 1.00 44.23 C ATOM 0 H VAL A 35 6.610 6.814 -17.227 1.00 34.01 H new ATOM 0 HA VAL A 35 8.131 8.347 -15.334 1.00 54.10 H new ATOM 0 HB VAL A 35 5.590 6.688 -15.144 1.00 34.30 H new ATOM 0 HG11 VAL A 35 5.208 7.764 -12.969 1.00 45.12 H new ATOM 0 HG12 VAL A 35 6.666 6.743 -12.962 1.00 45.12 H new ATOM 0 HG13 VAL A 35 6.819 8.514 -13.063 1.00 45.12 H new ATOM 0 HG21 VAL A 35 4.490 8.902 -15.022 1.00 44.23 H new ATOM 0 HG22 VAL A 35 6.074 9.690 -15.218 1.00 44.23 H new ATOM 0 HG23 VAL A 35 5.403 8.700 -16.536 1.00 44.23 H new ATOM 273 N ILE A 36 7.934 5.052 -15.015 1.00 65.04 N ATOM 274 CA ILE A 36 8.552 3.901 -14.363 1.00 51.21 C ATOM 275 C ILE A 36 10.010 3.753 -14.796 1.00 11.24 C ATOM 276 O ILE A 36 10.818 3.135 -14.103 1.00 61.14 O ATOM 277 CB ILE A 36 7.775 2.592 -14.660 1.00 24.32 C ATOM 278 CG1 ILE A 36 8.296 1.444 -13.789 1.00 54.11 C ATOM 279 CG2 ILE A 36 7.868 2.226 -16.136 1.00 62.34 C ATOM 280 CD1 ILE A 36 7.543 0.142 -13.977 1.00 33.40 C ATOM 0 H ILE A 36 7.182 4.815 -15.663 1.00 65.04 H new ATOM 0 HA ILE A 36 8.517 4.079 -13.288 1.00 51.21 H new ATOM 0 HB ILE A 36 6.726 2.761 -14.417 1.00 24.32 H new ATOM 0 HG12 ILE A 36 9.350 1.279 -14.014 1.00 54.11 H new ATOM 0 HG13 ILE A 36 8.236 1.739 -12.741 1.00 54.11 H new ATOM 0 HG21 ILE A 36 7.315 1.304 -16.318 1.00 62.34 H new ATOM 0 HG22 ILE A 36 7.443 3.029 -16.738 1.00 62.34 H new ATOM 0 HG23 ILE A 36 8.913 2.082 -16.410 1.00 62.34 H new ATOM 0 HD11 ILE A 36 7.970 -0.622 -13.327 1.00 33.40 H new ATOM 0 HD12 ILE A 36 6.493 0.289 -13.723 1.00 33.40 H new ATOM 0 HD13 ILE A 36 7.624 -0.178 -15.016 1.00 33.40 H new ATOM 292 N ALA A 37 10.344 4.349 -15.935 1.00 52.10 N ATOM 293 CA ALA A 37 11.703 4.312 -16.453 1.00 32.33 C ATOM 294 C ALA A 37 12.688 4.931 -15.467 1.00 4.12 C ATOM 295 O ALA A 37 13.807 4.444 -15.308 1.00 13.15 O ATOM 296 CB ALA A 37 11.782 5.030 -17.791 1.00 55.30 C ATOM 0 H ALA A 37 9.687 4.866 -16.519 1.00 52.10 H new ATOM 0 HA ALA A 37 11.976 3.266 -16.595 1.00 32.33 H new ATOM 0 HB1 ALA A 37 12.806 4.993 -18.164 1.00 55.30 H new ATOM 0 HB2 ALA A 37 11.118 4.543 -18.505 1.00 55.30 H new ATOM 0 HB3 ALA A 37 11.480 6.070 -17.664 1.00 55.30 H new ATOM 302 N VAL A 38 12.265 5.991 -14.783 1.00 32.01 N ATOM 303 CA VAL A 38 13.146 6.677 -13.848 1.00 40.32 C ATOM 304 C VAL A 38 13.316 5.854 -12.568 1.00 45.50 C ATOM 305 O VAL A 38 14.353 5.925 -11.907 1.00 25.30 O ATOM 306 CB VAL A 38 12.648 8.110 -13.518 1.00 35.21 C ATOM 307 CG1 VAL A 38 11.470 8.094 -12.559 1.00 75.32 C ATOM 308 CG2 VAL A 38 13.784 8.958 -12.964 1.00 60.50 C ATOM 0 H VAL A 38 11.329 6.388 -14.858 1.00 32.01 H new ATOM 0 HA VAL A 38 14.117 6.779 -14.333 1.00 40.32 H new ATOM 0 HB VAL A 38 12.301 8.558 -14.449 1.00 35.21 H new ATOM 0 HG11 VAL A 38 11.153 9.117 -12.355 1.00 75.32 H new ATOM 0 HG12 VAL A 38 10.644 7.541 -13.006 1.00 75.32 H new ATOM 0 HG13 VAL A 38 11.766 7.613 -11.627 1.00 75.32 H new ATOM 0 HG21 VAL A 38 13.415 9.959 -12.739 1.00 60.50 H new ATOM 0 HG22 VAL A 38 14.169 8.500 -12.053 1.00 60.50 H new ATOM 0 HG23 VAL A 38 14.583 9.024 -13.703 1.00 60.50 H new ATOM 318 N LEU A 39 12.305 5.050 -12.236 1.00 33.33 N ATOM 319 CA LEU A 39 12.401 4.144 -11.095 1.00 51.10 C ATOM 320 C LEU A 39 13.321 2.983 -11.444 1.00 22.43 C ATOM 321 O LEU A 39 14.182 2.594 -10.652 1.00 63.22 O ATOM 322 CB LEU A 39 11.024 3.601 -10.670 1.00 21.14 C ATOM 323 CG LEU A 39 10.072 4.599 -9.994 1.00 3.21 C ATOM 324 CD1 LEU A 39 10.795 5.392 -8.916 1.00 50.30 C ATOM 325 CD2 LEU A 39 9.437 5.527 -11.015 1.00 2.44 C ATOM 0 H LEU A 39 11.418 5.009 -12.737 1.00 33.33 H new ATOM 0 HA LEU A 39 12.807 4.709 -10.256 1.00 51.10 H new ATOM 0 HB2 LEU A 39 10.527 3.201 -11.554 1.00 21.14 H new ATOM 0 HB3 LEU A 39 11.182 2.765 -9.988 1.00 21.14 H new ATOM 0 HG LEU A 39 9.274 4.030 -9.518 1.00 3.21 H new ATOM 0 HD11 LEU A 39 10.100 6.092 -8.452 1.00 50.30 H new ATOM 0 HD12 LEU A 39 11.182 4.709 -8.160 1.00 50.30 H new ATOM 0 HD13 LEU A 39 11.622 5.944 -9.363 1.00 50.30 H new ATOM 0 HD21 LEU A 39 8.768 6.222 -10.508 1.00 2.44 H new ATOM 0 HD22 LEU A 39 10.216 6.086 -11.533 1.00 2.44 H new ATOM 0 HD23 LEU A 39 8.870 4.940 -11.737 1.00 2.44 H new ATOM 337 N GLN A 40 13.142 2.450 -12.648 1.00 31.42 N ATOM 338 CA GLN A 40 13.976 1.368 -13.150 1.00 22.01 C ATOM 339 C GLN A 40 15.437 1.803 -13.201 1.00 73.12 C ATOM 340 O GLN A 40 16.329 1.071 -12.775 1.00 12.35 O ATOM 341 CB GLN A 40 13.509 0.948 -14.544 1.00 41.53 C ATOM 342 CG GLN A 40 14.330 -0.179 -15.148 1.00 0.45 C ATOM 343 CD GLN A 40 13.949 -0.478 -16.584 1.00 33.02 C ATOM 344 OE1 GLN A 40 13.509 0.407 -17.323 1.00 41.24 O ATOM 345 NE2 GLN A 40 14.119 -1.724 -16.989 1.00 35.30 N ATOM 0 H GLN A 40 12.418 2.755 -13.299 1.00 31.42 H new ATOM 0 HA GLN A 40 13.886 0.518 -12.473 1.00 22.01 H new ATOM 0 HB2 GLN A 40 12.466 0.637 -14.490 1.00 41.53 H new ATOM 0 HB3 GLN A 40 13.550 1.812 -15.207 1.00 41.53 H new ATOM 0 HG2 GLN A 40 15.387 0.084 -15.104 1.00 0.45 H new ATOM 0 HG3 GLN A 40 14.200 -1.079 -14.547 1.00 0.45 H new ATOM 0 HE21 GLN A 40 14.486 -2.424 -16.344 1.00 35.30 H new ATOM 0 HE22 GLN A 40 13.883 -1.986 -17.946 1.00 35.30 H new ATOM 354 N MET A 41 15.665 3.013 -13.701 1.00 14.23 N ATOM 355 CA MET A 41 17.016 3.556 -13.824 1.00 23.45 C ATOM 356 C MET A 41 17.612 3.841 -12.446 1.00 61.20 C ATOM 357 O MET A 41 18.830 3.929 -12.288 1.00 42.34 O ATOM 358 CB MET A 41 17.001 4.836 -14.672 1.00 61.33 C ATOM 359 CG MET A 41 18.387 5.350 -15.029 1.00 41.22 C ATOM 360 SD MET A 41 19.311 4.195 -16.059 1.00 55.22 S ATOM 361 CE MET A 41 20.863 5.074 -16.238 1.00 4.31 C ATOM 0 H MET A 41 14.930 3.639 -14.029 1.00 14.23 H new ATOM 0 HA MET A 41 17.640 2.813 -14.321 1.00 23.45 H new ATOM 0 HB2 MET A 41 16.446 4.646 -15.591 1.00 61.33 H new ATOM 0 HB3 MET A 41 16.463 5.614 -14.130 1.00 61.33 H new ATOM 0 HG2 MET A 41 18.294 6.302 -15.551 1.00 41.22 H new ATOM 0 HG3 MET A 41 18.946 5.542 -14.113 1.00 41.22 H new ATOM 0 HE1 MET A 41 21.545 4.486 -16.853 1.00 4.31 H new ATOM 0 HE2 MET A 41 20.683 6.037 -16.715 1.00 4.31 H new ATOM 0 HE3 MET A 41 21.306 5.234 -15.255 1.00 4.31 H new ATOM 371 N HIS A 42 16.753 3.978 -11.443 1.00 55.54 N ATOM 372 CA HIS A 42 17.221 4.209 -10.083 1.00 0.43 C ATOM 373 C HIS A 42 17.337 2.886 -9.335 1.00 31.42 C ATOM 374 O HIS A 42 17.674 2.857 -8.152 1.00 12.12 O ATOM 375 CB HIS A 42 16.292 5.165 -9.332 1.00 52.21 C ATOM 376 CG HIS A 42 17.012 6.012 -8.327 1.00 53.43 C ATOM 377 ND1 HIS A 42 17.224 5.631 -7.020 1.00 62.05 N ATOM 378 CD2 HIS A 42 17.594 7.225 -8.461 1.00 33.22 C ATOM 379 CE1 HIS A 42 17.904 6.576 -6.395 1.00 65.51 C ATOM 380 NE2 HIS A 42 18.142 7.554 -7.249 1.00 5.03 N ATOM 0 H HIS A 42 15.739 3.934 -11.544 1.00 55.54 H new ATOM 0 HA HIS A 42 18.206 4.673 -10.138 1.00 0.43 H new ATOM 0 HB2 HIS A 42 15.788 5.812 -10.050 1.00 52.21 H new ATOM 0 HB3 HIS A 42 15.518 4.588 -8.825 1.00 52.21 H new ATOM 0 HD2 HIS A 42 17.622 7.825 -9.359 1.00 33.22 H new ATOM 0 HE1 HIS A 42 18.213 6.552 -5.360 1.00 65.51 H new ATOM 0 HE2 HIS A 42 18.650 8.413 -7.041 1.00 5.03 H new ATOM 389 N ASN A 43 17.051 1.797 -10.047 1.00 60.44 N ATOM 390 CA ASN A 43 17.191 0.442 -9.513 1.00 33.14 C ATOM 391 C ASN A 43 16.268 0.200 -8.325 1.00 54.40 C ATOM 392 O ASN A 43 16.600 -0.559 -7.414 1.00 13.02 O ATOM 393 CB ASN A 43 18.647 0.158 -9.122 1.00 40.34 C ATOM 394 CG ASN A 43 19.559 0.036 -10.329 1.00 1.30 C ATOM 395 OD1 ASN A 43 19.720 -1.048 -10.888 1.00 21.33 O ATOM 396 ND2 ASN A 43 20.178 1.139 -10.725 1.00 42.32 N ATOM 0 H ASN A 43 16.716 1.828 -11.010 1.00 60.44 H new ATOM 0 HA ASN A 43 16.898 -0.247 -10.305 1.00 33.14 H new ATOM 0 HB2 ASN A 43 19.009 0.958 -8.476 1.00 40.34 H new ATOM 0 HB3 ASN A 43 18.691 -0.764 -8.542 1.00 40.34 H new ATOM 0 HD21 ASN A 43 20.815 1.108 -11.521 1.00 42.32 H new ATOM 0 HD22 ASN A 43 20.017 2.018 -10.234 1.00 42.32 H new ATOM 403 N ILE A 44 15.099 0.821 -8.343 1.00 12.43 N ATOM 404 CA ILE A 44 14.115 0.597 -7.299 1.00 30.14 C ATOM 405 C ILE A 44 12.889 -0.101 -7.880 1.00 3.43 C ATOM 406 O ILE A 44 12.381 0.285 -8.935 1.00 22.44 O ATOM 407 CB ILE A 44 13.707 1.914 -6.590 1.00 64.11 C ATOM 408 CG1 ILE A 44 12.630 1.644 -5.531 1.00 44.35 C ATOM 409 CG2 ILE A 44 13.233 2.956 -7.596 1.00 40.14 C ATOM 410 CD1 ILE A 44 12.190 2.883 -4.778 1.00 13.04 C ATOM 0 H ILE A 44 14.811 1.481 -9.066 1.00 12.43 H new ATOM 0 HA ILE A 44 14.572 -0.044 -6.545 1.00 30.14 H new ATOM 0 HB ILE A 44 14.588 2.315 -6.088 1.00 64.11 H new ATOM 0 HG12 ILE A 44 11.762 1.197 -6.015 1.00 44.35 H new ATOM 0 HG13 ILE A 44 13.010 0.912 -4.818 1.00 44.35 H new ATOM 0 HG21 ILE A 44 12.954 3.869 -7.070 1.00 40.14 H new ATOM 0 HG22 ILE A 44 14.036 3.174 -8.300 1.00 40.14 H new ATOM 0 HG23 ILE A 44 12.370 2.571 -8.139 1.00 40.14 H new ATOM 0 HD11 ILE A 44 11.428 2.613 -4.047 1.00 13.04 H new ATOM 0 HD12 ILE A 44 13.046 3.320 -4.264 1.00 13.04 H new ATOM 0 HD13 ILE A 44 11.779 3.609 -5.480 1.00 13.04 H new ATOM 422 N GLU A 45 12.445 -1.153 -7.208 1.00 60.22 N ATOM 423 CA GLU A 45 11.293 -1.919 -7.666 1.00 12.53 C ATOM 424 C GLU A 45 9.992 -1.184 -7.368 1.00 71.03 C ATOM 425 O GLU A 45 9.759 -0.719 -6.249 1.00 65.32 O ATOM 426 CB GLU A 45 11.285 -3.311 -7.026 1.00 4.32 C ATOM 427 CG GLU A 45 11.429 -3.294 -5.513 1.00 71.14 C ATOM 428 CD GLU A 45 11.487 -4.684 -4.920 1.00 54.44 C ATOM 429 OE1 GLU A 45 12.334 -5.487 -5.361 1.00 50.33 O ATOM 430 OE2 GLU A 45 10.703 -4.978 -3.991 1.00 64.13 O ATOM 0 H GLU A 45 12.864 -1.496 -6.344 1.00 60.22 H new ATOM 0 HA GLU A 45 11.373 -2.035 -8.747 1.00 12.53 H new ATOM 0 HB2 GLU A 45 10.354 -3.815 -7.287 1.00 4.32 H new ATOM 0 HB3 GLU A 45 12.097 -3.901 -7.452 1.00 4.32 H new ATOM 0 HG2 GLU A 45 12.334 -2.750 -5.244 1.00 71.14 H new ATOM 0 HG3 GLU A 45 10.590 -2.752 -5.078 1.00 71.14 H new ATOM 437 N ALA A 46 9.146 -1.086 -8.378 1.00 22.12 N ATOM 438 CA ALA A 46 7.880 -0.391 -8.248 1.00 43.23 C ATOM 439 C ALA A 46 6.721 -1.357 -8.447 1.00 24.01 C ATOM 440 O ALA A 46 6.850 -2.353 -9.160 1.00 34.33 O ATOM 441 CB ALA A 46 7.805 0.747 -9.250 1.00 13.31 C ATOM 0 H ALA A 46 9.316 -1.482 -9.303 1.00 22.12 H new ATOM 0 HA ALA A 46 7.809 0.025 -7.243 1.00 43.23 H new ATOM 0 HB1 ALA A 46 6.850 1.263 -9.144 1.00 13.31 H new ATOM 0 HB2 ALA A 46 8.619 1.448 -9.066 1.00 13.31 H new ATOM 0 HB3 ALA A 46 7.892 0.348 -10.261 1.00 13.31 H new ATOM 447 N ASN A 47 5.594 -1.055 -7.822 1.00 62.21 N ATOM 448 CA ASN A 47 4.419 -1.913 -7.895 1.00 14.14 C ATOM 449 C ASN A 47 3.363 -1.291 -8.802 1.00 51.30 C ATOM 450 O ASN A 47 3.411 -0.094 -9.105 1.00 53.44 O ATOM 451 CB ASN A 47 3.838 -2.155 -6.496 1.00 44.21 C ATOM 452 CG ASN A 47 4.772 -2.943 -5.597 1.00 4.23 C ATOM 453 OD1 ASN A 47 5.638 -2.376 -4.928 1.00 60.53 O ATOM 454 ND2 ASN A 47 4.587 -4.254 -5.555 1.00 34.22 N ATOM 0 H ASN A 47 5.467 -0.217 -7.255 1.00 62.21 H new ATOM 0 HA ASN A 47 4.722 -2.872 -8.315 1.00 14.14 H new ATOM 0 HB2 ASN A 47 3.616 -1.195 -6.029 1.00 44.21 H new ATOM 0 HB3 ASN A 47 2.893 -2.690 -6.588 1.00 44.21 H new ATOM 0 HD21 ASN A 47 5.173 -4.833 -4.953 1.00 34.22 H new ATOM 0 HD22 ASN A 47 3.859 -4.685 -6.125 1.00 34.22 H new ATOM 461 N LYS A 48 2.409 -2.104 -9.228 1.00 34.34 N ATOM 462 CA LYS A 48 1.389 -1.656 -10.163 1.00 71.40 C ATOM 463 C LYS A 48 0.064 -1.424 -9.451 1.00 40.22 C ATOM 464 O LYS A 48 -0.452 -2.313 -8.774 1.00 71.24 O ATOM 465 CB LYS A 48 1.194 -2.693 -11.269 1.00 72.11 C ATOM 466 CG LYS A 48 2.440 -2.969 -12.092 1.00 21.43 C ATOM 467 CD LYS A 48 2.823 -1.785 -12.963 1.00 65.40 C ATOM 468 CE LYS A 48 4.000 -2.127 -13.861 1.00 4.22 C ATOM 469 NZ LYS A 48 3.713 -3.308 -14.719 1.00 13.13 N ATOM 0 H LYS A 48 2.320 -3.079 -8.941 1.00 34.34 H new ATOM 0 HA LYS A 48 1.724 -0.715 -10.600 1.00 71.40 H new ATOM 0 HB2 LYS A 48 0.855 -3.627 -10.820 1.00 72.11 H new ATOM 0 HB3 LYS A 48 0.401 -2.353 -11.935 1.00 72.11 H new ATOM 0 HG2 LYS A 48 3.268 -3.211 -11.426 1.00 21.43 H new ATOM 0 HG3 LYS A 48 2.272 -3.843 -12.722 1.00 21.43 H new ATOM 0 HD2 LYS A 48 1.970 -1.487 -13.573 1.00 65.40 H new ATOM 0 HD3 LYS A 48 3.077 -0.933 -12.333 1.00 65.40 H new ATOM 0 HE2 LYS A 48 4.239 -1.270 -14.490 1.00 4.22 H new ATOM 0 HE3 LYS A 48 4.879 -2.327 -13.248 1.00 4.22 H new ATOM 0 HZ1 LYS A 48 4.351 -3.304 -15.540 1.00 13.13 H new ATOM 0 HZ2 LYS A 48 3.860 -4.179 -14.171 1.00 13.13 H new ATOM 0 HZ3 LYS A 48 2.727 -3.268 -15.047 1.00 13.13 H new ATOM 483 N ILE A 49 -0.479 -0.229 -9.606 1.00 10.12 N ATOM 484 CA ILE A 49 -1.793 0.082 -9.069 1.00 54.34 C ATOM 485 C ILE A 49 -2.778 0.369 -10.194 1.00 65.12 C ATOM 486 O ILE A 49 -2.758 1.439 -10.802 1.00 1.13 O ATOM 487 CB ILE A 49 -1.759 1.274 -8.090 1.00 30.33 C ATOM 488 CG1 ILE A 49 -0.868 2.399 -8.627 1.00 12.41 C ATOM 489 CG2 ILE A 49 -1.286 0.816 -6.723 1.00 75.00 C ATOM 490 CD1 ILE A 49 -0.897 3.651 -7.782 1.00 1.24 C ATOM 0 H ILE A 49 -0.030 0.543 -10.100 1.00 10.12 H new ATOM 0 HA ILE A 49 -2.121 -0.796 -8.512 1.00 54.34 H new ATOM 0 HB ILE A 49 -2.770 1.669 -7.992 1.00 30.33 H new ATOM 0 HG12 ILE A 49 0.159 2.038 -8.692 1.00 12.41 H new ATOM 0 HG13 ILE A 49 -1.183 2.648 -9.640 1.00 12.41 H new ATOM 0 HG21 ILE A 49 -1.266 1.666 -6.041 1.00 75.00 H new ATOM 0 HG22 ILE A 49 -1.967 0.057 -6.338 1.00 75.00 H new ATOM 0 HG23 ILE A 49 -0.284 0.395 -6.807 1.00 75.00 H new ATOM 0 HD11 ILE A 49 -0.243 4.403 -8.223 1.00 1.24 H new ATOM 0 HD12 ILE A 49 -1.916 4.037 -7.738 1.00 1.24 H new ATOM 0 HD13 ILE A 49 -0.553 3.418 -6.774 1.00 1.24 H new ATOM 502 N ASP A 50 -3.621 -0.609 -10.481 1.00 51.44 N ATOM 503 CA ASP A 50 -4.625 -0.468 -11.525 1.00 40.35 C ATOM 504 C ASP A 50 -5.985 -0.149 -10.921 1.00 12.11 C ATOM 505 O ASP A 50 -6.439 -0.822 -9.993 1.00 64.13 O ATOM 506 CB ASP A 50 -4.713 -1.743 -12.364 1.00 41.54 C ATOM 507 CG ASP A 50 -5.882 -1.715 -13.329 1.00 20.22 C ATOM 508 OD1 ASP A 50 -5.783 -1.043 -14.376 1.00 12.01 O ATOM 509 OD2 ASP A 50 -6.912 -2.363 -13.041 1.00 20.34 O ATOM 0 H ASP A 50 -3.631 -1.511 -10.005 1.00 51.44 H new ATOM 0 HA ASP A 50 -4.326 0.357 -12.172 1.00 40.35 H new ATOM 0 HB2 ASP A 50 -3.786 -1.873 -12.923 1.00 41.54 H new ATOM 0 HB3 ASP A 50 -4.810 -2.604 -11.703 1.00 41.54 H new ATOM 514 N SER A 51 -6.611 0.896 -11.434 1.00 25.55 N ATOM 515 CA SER A 51 -7.954 1.284 -11.020 1.00 22.21 C ATOM 516 C SER A 51 -8.640 2.018 -12.167 1.00 40.45 C ATOM 517 O SER A 51 -7.969 2.630 -12.995 1.00 22.03 O ATOM 518 CB SER A 51 -7.903 2.174 -9.774 1.00 74.02 C ATOM 519 OG SER A 51 -7.238 1.522 -8.702 1.00 3.43 O ATOM 0 H SER A 51 -6.206 1.501 -12.149 1.00 25.55 H new ATOM 0 HA SER A 51 -8.522 0.388 -10.769 1.00 22.21 H new ATOM 0 HB2 SER A 51 -7.389 3.106 -10.011 1.00 74.02 H new ATOM 0 HB3 SER A 51 -8.916 2.437 -9.470 1.00 74.02 H new ATOM 0 HG SER A 51 -7.219 2.113 -7.921 1.00 3.43 H new ATOM 525 N GLY A 52 -9.965 1.953 -12.220 1.00 43.11 N ATOM 526 CA GLY A 52 -10.704 2.573 -13.310 1.00 71.10 C ATOM 527 C GLY A 52 -10.507 4.075 -13.392 1.00 41.15 C ATOM 528 O GLY A 52 -10.258 4.615 -14.469 1.00 10.11 O ATOM 0 H GLY A 52 -10.545 1.481 -11.526 1.00 43.11 H new ATOM 0 HA2 GLY A 52 -10.395 2.121 -14.252 1.00 71.10 H new ATOM 0 HA3 GLY A 52 -11.766 2.359 -13.187 1.00 71.10 H new ATOM 532 N LYS A 53 -10.608 4.751 -12.254 1.00 2.14 N ATOM 533 CA LYS A 53 -10.477 6.206 -12.214 1.00 73.52 C ATOM 534 C LYS A 53 -9.012 6.629 -12.292 1.00 51.15 C ATOM 535 O LYS A 53 -8.703 7.807 -12.458 1.00 62.22 O ATOM 536 CB LYS A 53 -11.097 6.761 -10.926 1.00 63.24 C ATOM 537 CG LYS A 53 -10.234 6.547 -9.686 1.00 31.12 C ATOM 538 CD LYS A 53 -10.946 6.978 -8.414 1.00 73.43 C ATOM 539 CE LYS A 53 -10.004 6.974 -7.215 1.00 72.30 C ATOM 540 NZ LYS A 53 -9.088 8.148 -7.216 1.00 4.43 N ATOM 0 H LYS A 53 -10.780 4.318 -11.347 1.00 2.14 H new ATOM 0 HA LYS A 53 -11.005 6.610 -13.078 1.00 73.52 H new ATOM 0 HB2 LYS A 53 -11.278 7.828 -11.052 1.00 63.24 H new ATOM 0 HB3 LYS A 53 -12.067 6.290 -10.768 1.00 63.24 H new ATOM 0 HG2 LYS A 53 -9.963 5.494 -9.610 1.00 31.12 H new ATOM 0 HG3 LYS A 53 -9.305 7.108 -9.789 1.00 31.12 H new ATOM 0 HD2 LYS A 53 -11.360 7.977 -8.549 1.00 73.43 H new ATOM 0 HD3 LYS A 53 -11.784 6.309 -8.221 1.00 73.43 H new ATOM 0 HE2 LYS A 53 -10.589 6.973 -6.295 1.00 72.30 H new ATOM 0 HE3 LYS A 53 -9.416 6.056 -7.220 1.00 72.30 H new ATOM 0 HZ1 LYS A 53 -8.489 8.122 -6.366 1.00 4.43 H new ATOM 0 HZ2 LYS A 53 -8.487 8.118 -8.064 1.00 4.43 H new ATOM 0 HZ3 LYS A 53 -9.647 9.025 -7.219 1.00 4.43 H new ATOM 554 N LEU A 54 -8.118 5.661 -12.168 1.00 51.10 N ATOM 555 CA LEU A 54 -6.698 5.948 -12.042 1.00 73.11 C ATOM 556 C LEU A 54 -5.951 5.630 -13.333 1.00 22.21 C ATOM 557 O LEU A 54 -5.149 6.434 -13.814 1.00 24.12 O ATOM 558 CB LEU A 54 -6.118 5.136 -10.880 1.00 71.10 C ATOM 559 CG LEU A 54 -4.667 5.444 -10.522 1.00 64.32 C ATOM 560 CD1 LEU A 54 -4.529 6.883 -10.057 1.00 63.15 C ATOM 561 CD2 LEU A 54 -4.171 4.483 -9.453 1.00 51.10 C ATOM 0 H LEU A 54 -8.351 4.668 -12.152 1.00 51.10 H new ATOM 0 HA LEU A 54 -6.575 7.013 -11.843 1.00 73.11 H new ATOM 0 HB2 LEU A 54 -6.735 5.305 -9.998 1.00 71.10 H new ATOM 0 HB3 LEU A 54 -6.196 4.077 -11.125 1.00 71.10 H new ATOM 0 HG LEU A 54 -4.053 5.313 -11.413 1.00 64.32 H new ATOM 0 HD11 LEU A 54 -3.488 7.086 -9.806 1.00 63.15 H new ATOM 0 HD12 LEU A 54 -4.848 7.555 -10.854 1.00 63.15 H new ATOM 0 HD13 LEU A 54 -5.152 7.042 -9.177 1.00 63.15 H new ATOM 0 HD21 LEU A 54 -3.135 4.715 -9.208 1.00 51.10 H new ATOM 0 HD22 LEU A 54 -4.787 4.584 -8.559 1.00 51.10 H new ATOM 0 HD23 LEU A 54 -4.236 3.460 -9.825 1.00 51.10 H new ATOM 573 N GLY A 55 -6.228 4.464 -13.895 1.00 34.41 N ATOM 574 CA GLY A 55 -5.515 4.017 -15.073 1.00 0.12 C ATOM 575 C GLY A 55 -4.241 3.288 -14.706 1.00 62.23 C ATOM 576 O GLY A 55 -4.260 2.374 -13.880 1.00 40.33 O ATOM 0 H GLY A 55 -6.938 3.816 -13.554 1.00 34.41 H new ATOM 0 HA2 GLY A 55 -6.156 3.359 -15.660 1.00 0.12 H new ATOM 0 HA3 GLY A 55 -5.277 4.874 -15.703 1.00 0.12 H new ATOM 580 N TYR A 56 -3.137 3.702 -15.303 1.00 53.04 N ATOM 581 CA TYR A 56 -1.836 3.131 -14.997 1.00 43.34 C ATOM 582 C TYR A 56 -1.014 4.107 -14.181 1.00 75.22 C ATOM 583 O TYR A 56 -0.739 5.224 -14.620 1.00 53.33 O ATOM 584 CB TYR A 56 -1.084 2.765 -16.276 1.00 32.02 C ATOM 585 CG TYR A 56 -1.491 1.433 -16.861 1.00 1.11 C ATOM 586 CD1 TYR A 56 -2.530 1.334 -17.779 1.00 62.14 C ATOM 587 CD2 TYR A 56 -0.826 0.271 -16.495 1.00 24.31 C ATOM 588 CE1 TYR A 56 -2.893 0.112 -18.311 1.00 0.21 C ATOM 589 CE2 TYR A 56 -1.185 -0.953 -17.021 1.00 71.11 C ATOM 590 CZ TYR A 56 -2.215 -1.028 -17.930 1.00 64.23 C ATOM 591 OH TYR A 56 -2.566 -2.245 -18.462 1.00 41.31 O ATOM 0 H TYR A 56 -3.116 4.438 -16.009 1.00 53.04 H new ATOM 0 HA TYR A 56 -1.995 2.222 -14.417 1.00 43.34 H new ATOM 0 HB2 TYR A 56 -1.250 3.544 -17.020 1.00 32.02 H new ATOM 0 HB3 TYR A 56 -0.015 2.748 -16.066 1.00 32.02 H new ATOM 0 HD1 TYR A 56 -3.061 2.225 -18.081 1.00 62.14 H new ATOM 0 HD2 TYR A 56 -0.013 0.326 -15.786 1.00 24.31 H new ATOM 0 HE1 TYR A 56 -3.704 0.049 -19.022 1.00 0.21 H new ATOM 0 HE2 TYR A 56 -0.660 -1.848 -16.721 1.00 71.11 H new ATOM 0 HH TYR A 56 -1.989 -2.944 -18.089 1.00 41.31 H new ATOM 601 N SER A 57 -0.641 3.694 -12.985 1.00 33.11 N ATOM 602 CA SER A 57 0.172 4.522 -12.118 1.00 34.41 C ATOM 603 C SER A 57 1.221 3.687 -11.396 1.00 61.45 C ATOM 604 O SER A 57 1.064 2.476 -11.225 1.00 62.11 O ATOM 605 CB SER A 57 -0.713 5.258 -11.113 1.00 1.43 C ATOM 606 OG SER A 57 -1.644 6.088 -11.781 1.00 62.14 O ATOM 0 H SER A 57 -0.890 2.786 -12.591 1.00 33.11 H new ATOM 0 HA SER A 57 0.692 5.257 -12.732 1.00 34.41 H new ATOM 0 HB2 SER A 57 -1.242 4.537 -10.490 1.00 1.43 H new ATOM 0 HB3 SER A 57 -0.094 5.860 -10.448 1.00 1.43 H new ATOM 0 HG SER A 57 -1.843 6.870 -11.225 1.00 62.14 H new ATOM 612 N ILE A 58 2.296 4.340 -10.989 1.00 5.52 N ATOM 613 CA ILE A 58 3.381 3.675 -10.291 1.00 70.54 C ATOM 614 C ILE A 58 3.206 3.837 -8.789 1.00 34.23 C ATOM 615 O ILE A 58 2.888 4.925 -8.317 1.00 75.41 O ATOM 616 CB ILE A 58 4.749 4.262 -10.710 1.00 62.04 C ATOM 617 CG1 ILE A 58 4.890 4.248 -12.237 1.00 71.43 C ATOM 618 CG2 ILE A 58 5.889 3.495 -10.060 1.00 21.11 C ATOM 619 CD1 ILE A 58 4.767 2.868 -12.848 1.00 53.40 C ATOM 0 H ILE A 58 2.440 5.340 -11.132 1.00 5.52 H new ATOM 0 HA ILE A 58 3.356 2.618 -10.555 1.00 70.54 H new ATOM 0 HB ILE A 58 4.798 5.295 -10.366 1.00 62.04 H new ATOM 0 HG12 ILE A 58 4.128 4.896 -12.669 1.00 71.43 H new ATOM 0 HG13 ILE A 58 5.858 4.670 -12.507 1.00 71.43 H new ATOM 0 HG21 ILE A 58 6.841 3.926 -10.370 1.00 21.11 H new ATOM 0 HG22 ILE A 58 5.798 3.558 -8.976 1.00 21.11 H new ATOM 0 HG23 ILE A 58 5.847 2.450 -10.368 1.00 21.11 H new ATOM 0 HD11 ILE A 58 4.877 2.938 -13.930 1.00 53.40 H new ATOM 0 HD12 ILE A 58 5.546 2.221 -12.445 1.00 53.40 H new ATOM 0 HD13 ILE A 58 3.789 2.450 -12.609 1.00 53.40 H new ATOM 631 N THR A 59 3.382 2.760 -8.045 1.00 2.13 N ATOM 632 CA THR A 59 3.343 2.844 -6.600 1.00 33.12 C ATOM 633 C THR A 59 4.556 2.136 -6.005 1.00 25.43 C ATOM 634 O THR A 59 5.216 1.345 -6.681 1.00 43.51 O ATOM 635 CB THR A 59 2.034 2.257 -6.016 1.00 11.42 C ATOM 636 OG1 THR A 59 1.804 2.796 -4.712 1.00 63.12 O ATOM 637 CG2 THR A 59 2.091 0.738 -5.936 1.00 5.20 C ATOM 0 H THR A 59 3.552 1.825 -8.415 1.00 2.13 H new ATOM 0 HA THR A 59 3.370 3.900 -6.330 1.00 33.12 H new ATOM 0 HB THR A 59 1.216 2.531 -6.682 1.00 11.42 H new ATOM 0 HG1 THR A 59 1.386 3.679 -4.792 1.00 63.12 H new ATOM 0 HG21 THR A 59 1.156 0.360 -5.522 1.00 5.20 H new ATOM 0 HG22 THR A 59 2.238 0.326 -6.934 1.00 5.20 H new ATOM 0 HG23 THR A 59 2.920 0.438 -5.294 1.00 5.20 H new ATOM 645 N VAL A 60 4.854 2.439 -4.756 1.00 1.33 N ATOM 646 CA VAL A 60 6.002 1.869 -4.072 1.00 3.43 C ATOM 647 C VAL A 60 5.639 1.587 -2.629 1.00 12.43 C ATOM 648 O VAL A 60 4.534 1.919 -2.191 1.00 13.41 O ATOM 649 CB VAL A 60 7.234 2.804 -4.111 1.00 52.05 C ATOM 650 CG1 VAL A 60 7.773 2.951 -5.526 1.00 61.11 C ATOM 651 CG2 VAL A 60 6.896 4.165 -3.525 1.00 12.33 C ATOM 0 H VAL A 60 4.309 3.086 -4.186 1.00 1.33 H new ATOM 0 HA VAL A 60 6.267 0.948 -4.591 1.00 3.43 H new ATOM 0 HB VAL A 60 8.014 2.349 -3.501 1.00 52.05 H new ATOM 0 HG11 VAL A 60 8.638 3.614 -5.519 1.00 61.11 H new ATOM 0 HG12 VAL A 60 8.068 1.973 -5.906 1.00 61.11 H new ATOM 0 HG13 VAL A 60 6.999 3.371 -6.168 1.00 61.11 H new ATOM 0 HG21 VAL A 60 7.777 4.806 -3.563 1.00 12.33 H new ATOM 0 HG22 VAL A 60 6.091 4.620 -4.102 1.00 12.33 H new ATOM 0 HG23 VAL A 60 6.578 4.046 -2.489 1.00 12.33 H new ATOM 661 N ALA A 61 6.550 0.948 -1.907 1.00 24.23 N ATOM 662 CA ALA A 61 6.361 0.707 -0.482 1.00 51.41 C ATOM 663 C ALA A 61 5.998 2.005 0.237 1.00 3.53 C ATOM 664 O ALA A 61 6.541 3.066 -0.076 1.00 23.42 O ATOM 665 CB ALA A 61 7.612 0.092 0.126 1.00 41.44 C ATOM 0 H ALA A 61 7.427 0.587 -2.284 1.00 24.23 H new ATOM 0 HA ALA A 61 5.538 0.003 -0.358 1.00 51.41 H new ATOM 0 HB1 ALA A 61 7.452 -0.081 1.190 1.00 41.44 H new ATOM 0 HB2 ALA A 61 7.828 -0.856 -0.367 1.00 41.44 H new ATOM 0 HB3 ALA A 61 8.454 0.771 -0.009 1.00 41.44 H new ATOM 671 N GLU A 62 5.081 1.901 1.193 1.00 2.33 N ATOM 672 CA GLU A 62 4.538 3.055 1.912 1.00 73.25 C ATOM 673 C GLU A 62 5.621 4.053 2.365 1.00 51.43 C ATOM 674 O GLU A 62 5.511 5.244 2.072 1.00 15.14 O ATOM 675 CB GLU A 62 3.695 2.600 3.117 1.00 54.42 C ATOM 676 CG GLU A 62 2.465 1.770 2.754 1.00 3.40 C ATOM 677 CD GLU A 62 2.810 0.389 2.232 1.00 61.51 C ATOM 678 OE1 GLU A 62 3.082 -0.512 3.051 1.00 2.21 O ATOM 679 OE2 GLU A 62 2.820 0.198 1.002 1.00 23.01 O ATOM 0 H GLU A 62 4.689 1.009 1.495 1.00 2.33 H new ATOM 0 HA GLU A 62 3.901 3.583 1.203 1.00 73.25 H new ATOM 0 HB2 GLU A 62 4.327 2.016 3.786 1.00 54.42 H new ATOM 0 HB3 GLU A 62 3.372 3.481 3.672 1.00 54.42 H new ATOM 0 HG2 GLU A 62 1.829 1.671 3.634 1.00 3.40 H new ATOM 0 HG3 GLU A 62 1.885 2.302 2.000 1.00 3.40 H new ATOM 686 N PRO A 63 6.687 3.610 3.070 1.00 63.52 N ATOM 687 CA PRO A 63 7.732 4.521 3.555 1.00 24.14 C ATOM 688 C PRO A 63 8.576 5.107 2.422 1.00 1.21 C ATOM 689 O PRO A 63 9.152 6.186 2.562 1.00 12.11 O ATOM 690 CB PRO A 63 8.602 3.640 4.463 1.00 54.33 C ATOM 691 CG PRO A 63 7.816 2.390 4.682 1.00 63.42 C ATOM 692 CD PRO A 63 6.969 2.220 3.461 1.00 22.02 C ATOM 0 HA PRO A 63 7.300 5.382 4.064 1.00 24.14 H new ATOM 0 HB2 PRO A 63 9.562 3.422 3.995 1.00 54.33 H new ATOM 0 HB3 PRO A 63 8.814 4.140 5.408 1.00 54.33 H new ATOM 0 HG2 PRO A 63 8.475 1.533 4.823 1.00 63.42 H new ATOM 0 HG3 PRO A 63 7.199 2.468 5.577 1.00 63.42 H new ATOM 0 HD2 PRO A 63 7.494 1.677 2.676 1.00 22.02 H new ATOM 0 HD3 PRO A 63 6.055 1.666 3.675 1.00 22.02 H new ATOM 700 N ASP A 64 8.623 4.407 1.293 1.00 12.22 N ATOM 701 CA ASP A 64 9.462 4.815 0.167 1.00 63.44 C ATOM 702 C ASP A 64 8.722 5.784 -0.744 1.00 1.21 C ATOM 703 O ASP A 64 9.247 6.215 -1.774 1.00 55.24 O ATOM 704 CB ASP A 64 9.915 3.593 -0.638 1.00 74.15 C ATOM 705 CG ASP A 64 10.868 2.706 0.135 1.00 54.32 C ATOM 706 OD1 ASP A 64 10.401 1.794 0.849 1.00 0.42 O ATOM 707 OD2 ASP A 64 12.097 2.913 0.031 1.00 64.40 O ATOM 0 H ASP A 64 8.090 3.553 1.132 1.00 12.22 H new ATOM 0 HA ASP A 64 10.339 5.320 0.573 1.00 63.44 H new ATOM 0 HB2 ASP A 64 9.041 3.012 -0.931 1.00 74.15 H new ATOM 0 HB3 ASP A 64 10.399 3.927 -1.556 1.00 74.15 H new ATOM 712 N PHE A 65 7.501 6.129 -0.354 1.00 71.32 N ATOM 713 CA PHE A 65 6.670 7.051 -1.121 1.00 60.25 C ATOM 714 C PHE A 65 7.375 8.393 -1.311 1.00 73.52 C ATOM 715 O PHE A 65 7.269 9.019 -2.367 1.00 13.52 O ATOM 716 CB PHE A 65 5.326 7.249 -0.412 1.00 32.50 C ATOM 717 CG PHE A 65 4.354 8.115 -1.162 1.00 30.22 C ATOM 718 CD1 PHE A 65 3.777 7.671 -2.340 1.00 11.31 C ATOM 719 CD2 PHE A 65 4.016 9.371 -0.686 1.00 41.43 C ATOM 720 CE1 PHE A 65 2.881 8.464 -3.031 1.00 14.45 C ATOM 721 CE2 PHE A 65 3.120 10.168 -1.372 1.00 44.40 C ATOM 722 CZ PHE A 65 2.552 9.715 -2.546 1.00 51.33 C ATOM 0 H PHE A 65 7.060 5.781 0.497 1.00 71.32 H new ATOM 0 HA PHE A 65 6.494 6.622 -2.107 1.00 60.25 H new ATOM 0 HB2 PHE A 65 4.870 6.273 -0.243 1.00 32.50 H new ATOM 0 HB3 PHE A 65 5.507 7.690 0.568 1.00 32.50 H new ATOM 0 HD1 PHE A 65 4.030 6.694 -2.723 1.00 11.31 H new ATOM 0 HD2 PHE A 65 4.458 9.731 0.231 1.00 41.43 H new ATOM 0 HE1 PHE A 65 2.438 8.106 -3.949 1.00 14.45 H new ATOM 0 HE2 PHE A 65 2.864 11.145 -0.990 1.00 44.40 H new ATOM 0 HZ PHE A 65 1.852 10.337 -3.084 1.00 51.33 H new ATOM 732 N THR A 66 8.107 8.812 -0.287 1.00 2.44 N ATOM 733 CA THR A 66 8.845 10.068 -0.321 1.00 73.43 C ATOM 734 C THR A 66 9.876 10.083 -1.456 1.00 44.44 C ATOM 735 O THR A 66 10.201 11.140 -1.998 1.00 51.54 O ATOM 736 CB THR A 66 9.549 10.334 1.032 1.00 34.31 C ATOM 737 OG1 THR A 66 10.224 11.599 1.007 1.00 74.52 O ATOM 738 CG2 THR A 66 10.544 9.227 1.365 1.00 41.42 C ATOM 0 H THR A 66 8.206 8.294 0.586 1.00 2.44 H new ATOM 0 HA THR A 66 8.121 10.862 -0.504 1.00 73.43 H new ATOM 0 HB THR A 66 8.781 10.352 1.805 1.00 34.31 H new ATOM 0 HG1 THR A 66 10.663 11.753 1.870 1.00 74.52 H new ATOM 0 HG21 THR A 66 11.022 9.443 2.321 1.00 41.42 H new ATOM 0 HG22 THR A 66 10.020 8.273 1.428 1.00 41.42 H new ATOM 0 HG23 THR A 66 11.303 9.173 0.584 1.00 41.42 H new ATOM 746 N ALA A 67 10.380 8.908 -1.820 1.00 24.04 N ATOM 747 CA ALA A 67 11.369 8.801 -2.884 1.00 73.32 C ATOM 748 C ALA A 67 10.696 8.887 -4.246 1.00 42.43 C ATOM 749 O ALA A 67 11.158 9.601 -5.133 1.00 25.53 O ATOM 750 CB ALA A 67 12.152 7.505 -2.755 1.00 60.10 C ATOM 0 H ALA A 67 10.120 8.019 -1.394 1.00 24.04 H new ATOM 0 HA ALA A 67 12.067 9.633 -2.792 1.00 73.32 H new ATOM 0 HB1 ALA A 67 12.886 7.442 -3.558 1.00 60.10 H new ATOM 0 HB2 ALA A 67 12.664 7.483 -1.793 1.00 60.10 H new ATOM 0 HB3 ALA A 67 11.468 6.659 -2.821 1.00 60.10 H new ATOM 756 N ALA A 68 9.584 8.170 -4.391 1.00 33.55 N ATOM 757 CA ALA A 68 8.819 8.164 -5.635 1.00 24.32 C ATOM 758 C ALA A 68 8.446 9.582 -6.051 1.00 11.32 C ATOM 759 O ALA A 68 8.675 9.985 -7.190 1.00 64.15 O ATOM 760 CB ALA A 68 7.568 7.313 -5.482 1.00 12.13 C ATOM 0 H ALA A 68 9.191 7.582 -3.656 1.00 33.55 H new ATOM 0 HA ALA A 68 9.444 7.733 -6.417 1.00 24.32 H new ATOM 0 HB1 ALA A 68 7.008 7.318 -6.417 1.00 12.13 H new ATOM 0 HB2 ALA A 68 7.852 6.290 -5.234 1.00 12.13 H new ATOM 0 HB3 ALA A 68 6.946 7.720 -4.685 1.00 12.13 H new ATOM 766 N VAL A 69 7.898 10.342 -5.109 1.00 70.24 N ATOM 767 CA VAL A 69 7.496 11.720 -5.370 1.00 1.03 C ATOM 768 C VAL A 69 8.695 12.562 -5.797 1.00 54.10 C ATOM 769 O VAL A 69 8.599 13.375 -6.716 1.00 61.15 O ATOM 770 CB VAL A 69 6.840 12.363 -4.129 1.00 24.21 C ATOM 771 CG1 VAL A 69 6.431 13.805 -4.404 1.00 24.14 C ATOM 772 CG2 VAL A 69 5.641 11.543 -3.684 1.00 14.24 C ATOM 0 H VAL A 69 7.722 10.026 -4.155 1.00 70.24 H new ATOM 0 HA VAL A 69 6.765 11.693 -6.178 1.00 1.03 H new ATOM 0 HB VAL A 69 7.576 12.375 -3.325 1.00 24.21 H new ATOM 0 HG11 VAL A 69 5.972 14.230 -3.511 1.00 24.14 H new ATOM 0 HG12 VAL A 69 7.312 14.388 -4.672 1.00 24.14 H new ATOM 0 HG13 VAL A 69 5.716 13.830 -5.226 1.00 24.14 H new ATOM 0 HG21 VAL A 69 5.188 12.007 -2.808 1.00 14.24 H new ATOM 0 HG22 VAL A 69 4.910 11.500 -4.491 1.00 14.24 H new ATOM 0 HG23 VAL A 69 5.964 10.533 -3.433 1.00 14.24 H new ATOM 782 N TYR A 70 9.828 12.339 -5.142 1.00 72.35 N ATOM 783 CA TYR A 70 11.027 13.132 -5.382 1.00 11.13 C ATOM 784 C TYR A 70 11.539 12.936 -6.810 1.00 1.30 C ATOM 785 O TYR A 70 11.838 13.905 -7.513 1.00 41.41 O ATOM 786 CB TYR A 70 12.118 12.747 -4.376 1.00 35.13 C ATOM 787 CG TYR A 70 13.198 13.794 -4.209 1.00 3.24 C ATOM 788 CD1 TYR A 70 14.209 13.944 -5.149 1.00 5.23 C ATOM 789 CD2 TYR A 70 13.203 14.633 -3.104 1.00 64.32 C ATOM 790 CE1 TYR A 70 15.191 14.902 -4.993 1.00 14.34 C ATOM 791 CE2 TYR A 70 14.182 15.593 -2.940 1.00 1.11 C ATOM 792 CZ TYR A 70 15.173 15.723 -3.888 1.00 74.34 C ATOM 793 OH TYR A 70 16.147 16.680 -3.732 1.00 74.40 O ATOM 0 H TYR A 70 9.941 11.611 -4.437 1.00 72.35 H new ATOM 0 HA TYR A 70 10.772 14.184 -5.254 1.00 11.13 H new ATOM 0 HB2 TYR A 70 11.655 12.560 -3.407 1.00 35.13 H new ATOM 0 HB3 TYR A 70 12.579 11.812 -4.695 1.00 35.13 H new ATOM 0 HD1 TYR A 70 14.228 13.301 -6.016 1.00 5.23 H new ATOM 0 HD2 TYR A 70 12.428 14.534 -2.359 1.00 64.32 H new ATOM 0 HE1 TYR A 70 15.969 15.007 -5.734 1.00 14.34 H new ATOM 0 HE2 TYR A 70 14.171 16.238 -2.074 1.00 1.11 H new ATOM 0 HH TYR A 70 15.989 17.175 -2.901 1.00 74.40 H new ATOM 803 N TRP A 71 11.631 11.682 -7.238 1.00 72.24 N ATOM 804 CA TRP A 71 12.160 11.365 -8.561 1.00 42.01 C ATOM 805 C TRP A 71 11.224 11.862 -9.659 1.00 22.33 C ATOM 806 O TRP A 71 11.670 12.401 -10.671 1.00 31.52 O ATOM 807 CB TRP A 71 12.388 9.856 -8.712 1.00 23.02 C ATOM 808 CG TRP A 71 13.226 9.252 -7.622 1.00 21.04 C ATOM 809 CD1 TRP A 71 13.033 8.037 -7.030 1.00 30.31 C ATOM 810 CD2 TRP A 71 14.375 9.830 -6.983 1.00 35.04 C ATOM 811 NE1 TRP A 71 13.984 7.826 -6.062 1.00 64.23 N ATOM 812 CE2 TRP A 71 14.818 8.911 -6.014 1.00 13.43 C ATOM 813 CE3 TRP A 71 15.073 11.034 -7.131 1.00 21.55 C ATOM 814 CZ2 TRP A 71 15.923 9.154 -5.204 1.00 72.53 C ATOM 815 CZ3 TRP A 71 16.170 11.274 -6.325 1.00 71.22 C ATOM 816 CH2 TRP A 71 16.585 10.339 -5.371 1.00 23.42 C ATOM 0 H TRP A 71 11.347 10.870 -6.690 1.00 72.24 H new ATOM 0 HA TRP A 71 13.118 11.876 -8.663 1.00 42.01 H new ATOM 0 HB2 TRP A 71 11.421 9.353 -8.733 1.00 23.02 H new ATOM 0 HB3 TRP A 71 12.867 9.666 -9.672 1.00 23.02 H new ATOM 0 HD1 TRP A 71 12.246 7.343 -7.286 1.00 30.31 H new ATOM 0 HE1 TRP A 71 14.057 6.996 -5.474 1.00 64.23 H new ATOM 0 HE3 TRP A 71 14.760 11.764 -7.863 1.00 21.55 H new ATOM 0 HZ2 TRP A 71 16.247 8.432 -4.469 1.00 72.53 H new ATOM 0 HZ3 TRP A 71 16.716 12.199 -6.434 1.00 71.22 H new ATOM 0 HH2 TRP A 71 17.445 10.557 -4.755 1.00 23.42 H new ATOM 827 N ILE A 72 9.926 11.704 -9.446 1.00 34.21 N ATOM 828 CA ILE A 72 8.938 12.105 -10.443 1.00 33.44 C ATOM 829 C ILE A 72 8.838 13.624 -10.532 1.00 72.51 C ATOM 830 O ILE A 72 8.579 14.178 -11.600 1.00 23.44 O ATOM 831 CB ILE A 72 7.553 11.504 -10.131 1.00 73.13 C ATOM 832 CG1 ILE A 72 7.660 9.983 -10.033 1.00 12.35 C ATOM 833 CG2 ILE A 72 6.532 11.899 -11.193 1.00 11.33 C ATOM 834 CD1 ILE A 72 8.296 9.339 -11.244 1.00 43.12 C ATOM 0 H ILE A 72 9.531 11.303 -8.596 1.00 34.21 H new ATOM 0 HA ILE A 72 9.272 11.719 -11.406 1.00 33.44 H new ATOM 0 HB ILE A 72 7.211 11.901 -9.175 1.00 73.13 H new ATOM 0 HG12 ILE A 72 8.241 9.725 -9.148 1.00 12.35 H new ATOM 0 HG13 ILE A 72 6.663 9.566 -9.892 1.00 12.35 H new ATOM 0 HG21 ILE A 72 5.564 11.461 -10.948 1.00 11.33 H new ATOM 0 HG22 ILE A 72 6.442 12.985 -11.225 1.00 11.33 H new ATOM 0 HG23 ILE A 72 6.859 11.533 -12.166 1.00 11.33 H new ATOM 0 HD11 ILE A 72 8.338 8.259 -11.102 1.00 43.12 H new ATOM 0 HD12 ILE A 72 7.703 9.566 -12.130 1.00 43.12 H new ATOM 0 HD13 ILE A 72 9.306 9.727 -11.374 1.00 43.12 H new ATOM 846 N LYS A 73 9.073 14.296 -9.410 1.00 25.52 N ATOM 847 CA LYS A 73 9.098 15.755 -9.383 1.00 44.13 C ATOM 848 C LYS A 73 10.215 16.276 -10.282 1.00 2.14 C ATOM 849 O LYS A 73 10.150 17.386 -10.803 1.00 63.33 O ATOM 850 CB LYS A 73 9.290 16.261 -7.949 1.00 53.43 C ATOM 851 CG LYS A 73 9.279 17.778 -7.825 1.00 24.42 C ATOM 852 CD LYS A 73 9.488 18.233 -6.390 1.00 15.33 C ATOM 853 CE LYS A 73 8.372 17.746 -5.483 1.00 3.00 C ATOM 854 NZ LYS A 73 8.550 18.216 -4.087 1.00 32.42 N ATOM 0 H LYS A 73 9.249 13.854 -8.508 1.00 25.52 H new ATOM 0 HA LYS A 73 8.144 16.128 -9.755 1.00 44.13 H new ATOM 0 HB2 LYS A 73 8.501 15.849 -7.320 1.00 53.43 H new ATOM 0 HB3 LYS A 73 10.236 15.881 -7.564 1.00 53.43 H new ATOM 0 HG2 LYS A 73 10.061 18.199 -8.457 1.00 24.42 H new ATOM 0 HG3 LYS A 73 8.329 18.165 -8.193 1.00 24.42 H new ATOM 0 HD2 LYS A 73 10.444 17.859 -6.024 1.00 15.33 H new ATOM 0 HD3 LYS A 73 9.537 19.321 -6.356 1.00 15.33 H new ATOM 0 HE2 LYS A 73 7.414 18.098 -5.865 1.00 3.00 H new ATOM 0 HE3 LYS A 73 8.341 16.657 -5.498 1.00 3.00 H new ATOM 0 HZ1 LYS A 73 7.768 17.863 -3.499 1.00 32.42 H new ATOM 0 HZ2 LYS A 73 9.453 17.860 -3.713 1.00 32.42 H new ATOM 0 HZ3 LYS A 73 8.554 19.256 -4.069 1.00 32.42 H new ATOM 868 N THR A 74 11.231 15.449 -10.479 1.00 23.50 N ATOM 869 CA THR A 74 12.358 15.812 -11.319 1.00 32.04 C ATOM 870 C THR A 74 11.989 15.686 -12.803 1.00 41.22 C ATOM 871 O THR A 74 12.566 16.361 -13.658 1.00 74.54 O ATOM 872 CB THR A 74 13.577 14.923 -11.002 1.00 74.55 C ATOM 873 OG1 THR A 74 13.835 14.939 -9.588 1.00 71.22 O ATOM 874 CG2 THR A 74 14.819 15.398 -11.746 1.00 62.44 C ATOM 0 H THR A 74 11.296 14.519 -10.066 1.00 23.50 H new ATOM 0 HA THR A 74 12.616 16.850 -11.110 1.00 32.04 H new ATOM 0 HB THR A 74 13.347 13.909 -11.329 1.00 74.55 H new ATOM 0 HG1 THR A 74 13.109 14.479 -9.118 1.00 71.22 H new ATOM 0 HG21 THR A 74 15.660 14.750 -11.500 1.00 62.44 H new ATOM 0 HG22 THR A 74 14.635 15.363 -12.820 1.00 62.44 H new ATOM 0 HG23 THR A 74 15.051 16.421 -11.451 1.00 62.44 H new ATOM 882 N TYR A 75 11.006 14.838 -13.097 1.00 44.02 N ATOM 883 CA TYR A 75 10.568 14.616 -14.471 1.00 2.32 C ATOM 884 C TYR A 75 9.805 15.826 -15.001 1.00 4.44 C ATOM 885 O TYR A 75 9.952 16.205 -16.165 1.00 40.42 O ATOM 886 CB TYR A 75 9.687 13.360 -14.556 1.00 51.22 C ATOM 887 CG TYR A 75 9.036 13.151 -15.910 1.00 2.51 C ATOM 888 CD1 TYR A 75 9.761 12.654 -16.988 1.00 50.03 C ATOM 889 CD2 TYR A 75 7.692 13.453 -16.108 1.00 62.14 C ATOM 890 CE1 TYR A 75 9.165 12.469 -18.223 1.00 60.51 C ATOM 891 CE2 TYR A 75 7.092 13.268 -17.338 1.00 53.25 C ATOM 892 CZ TYR A 75 7.832 12.777 -18.391 1.00 65.22 C ATOM 893 OH TYR A 75 7.235 12.597 -19.619 1.00 11.51 O ATOM 0 H TYR A 75 10.498 14.293 -12.400 1.00 44.02 H new ATOM 0 HA TYR A 75 11.454 14.469 -15.089 1.00 2.32 H new ATOM 0 HB2 TYR A 75 10.294 12.487 -14.318 1.00 51.22 H new ATOM 0 HB3 TYR A 75 8.908 13.423 -13.796 1.00 51.22 H new ATOM 0 HD1 TYR A 75 10.805 12.409 -16.859 1.00 50.03 H new ATOM 0 HD2 TYR A 75 7.108 13.839 -15.285 1.00 62.14 H new ATOM 0 HE1 TYR A 75 9.742 12.085 -19.052 1.00 60.51 H new ATOM 0 HE2 TYR A 75 6.048 13.507 -17.474 1.00 53.25 H new ATOM 0 HH TYR A 75 7.672 11.857 -20.090 1.00 11.51 H new