USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 668 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 57 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 1 MET N :NH3+ -105:sc= 1.02 (180deg=-0.0103) USER MOD Set 2.2: A 3 THR OG1 : rot -54:sc= 1.58 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -71:sc= 1.25 USER MOD Single : A 11 HIS : no HD1:sc= -0.201 K(o=-0.2,f=-1.2) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.0129 X(o=-0.013,f=-0.0073) USER MOD Single : A 22 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.97 X(o=-3,f=-2.8) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 124:sc= 1.23 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -152:sc= 1.21 (180deg=0.984) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 141:sc= 0.535 USER MOD Single : A 99 GLN : amide:sc= -1.58! K(o=-1.6!,f=-0.032) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.269 -18.332 9.796 1.00 51.15 N ATOM 2 CA MET A 1 -7.144 -16.921 9.389 1.00 60.55 C ATOM 3 C MET A 1 -7.193 -16.027 10.618 1.00 23.30 C ATOM 4 O MET A 1 -8.264 -15.882 11.203 1.00 34.10 O ATOM 5 CB MET A 1 -8.196 -16.513 8.344 1.00 21.22 C ATOM 6 CG MET A 1 -9.626 -16.993 8.639 1.00 72.32 C ATOM 7 SD MET A 1 -10.044 -18.552 7.819 1.00 23.52 S ATOM 8 CE MET A 1 -11.681 -18.839 8.525 1.00 20.34 C ATOM 0 H1 MET A 1 -6.340 -18.796 9.730 1.00 51.15 H new ATOM 0 H2 MET A 1 -7.612 -18.381 10.777 1.00 51.15 H new ATOM 0 H3 MET A 1 -7.943 -18.816 9.169 1.00 51.15 H new ATOM 0 HA MET A 1 -6.178 -16.795 8.901 1.00 60.55 H new ATOM 0 HB2 MET A 1 -8.203 -15.426 8.263 1.00 21.22 H new ATOM 0 HB3 MET A 1 -7.891 -16.903 7.373 1.00 21.22 H new ATOM 0 HG2 MET A 1 -9.746 -17.114 9.716 1.00 72.32 H new ATOM 0 HG3 MET A 1 -10.332 -16.224 8.324 1.00 72.32 H new ATOM 0 HE1 MET A 1 -12.092 -19.767 8.126 1.00 20.34 H new ATOM 0 HE2 MET A 1 -11.601 -18.914 9.609 1.00 20.34 H new ATOM 0 HE3 MET A 1 -12.339 -18.010 8.266 1.00 20.34 H new ATOM 16 N THR A 2 -6.052 -15.470 11.038 1.00 3.12 N ATOM 17 CA THR A 2 -5.914 -14.711 12.283 1.00 40.34 C ATOM 18 C THR A 2 -6.621 -15.425 13.462 1.00 15.13 C ATOM 19 O THR A 2 -7.506 -14.845 14.089 1.00 40.21 O ATOM 20 CB THR A 2 -6.400 -13.255 12.068 1.00 12.13 C ATOM 21 OG1 THR A 2 -6.096 -12.740 10.772 1.00 73.21 O ATOM 22 CG2 THR A 2 -5.801 -12.308 13.115 1.00 32.54 C ATOM 0 H THR A 2 -5.182 -15.536 10.510 1.00 3.12 H new ATOM 0 HA THR A 2 -4.861 -14.663 12.560 1.00 40.34 H new ATOM 0 HB THR A 2 -7.484 -13.301 12.170 1.00 12.13 H new ATOM 0 HG1 THR A 2 -5.132 -12.579 10.702 1.00 73.21 H new ATOM 0 HG21 THR A 2 -6.161 -11.295 12.937 1.00 32.54 H new ATOM 0 HG22 THR A 2 -6.102 -12.630 14.112 1.00 32.54 H new ATOM 0 HG23 THR A 2 -4.714 -12.325 13.041 1.00 32.54 H new ATOM 30 N THR A 3 -6.308 -16.703 13.733 1.00 3.12 N ATOM 31 CA THR A 3 -7.069 -17.506 14.705 1.00 71.33 C ATOM 32 C THR A 3 -6.156 -18.344 15.599 1.00 33.13 C ATOM 33 O THR A 3 -5.233 -18.979 15.086 1.00 33.40 O ATOM 34 CB THR A 3 -8.082 -18.434 13.992 1.00 34.44 C ATOM 35 OG1 THR A 3 -8.145 -18.220 12.590 1.00 63.25 O ATOM 36 CG2 THR A 3 -9.476 -18.266 14.590 1.00 72.43 C ATOM 0 H THR A 3 -5.534 -17.202 13.293 1.00 3.12 H new ATOM 0 HA THR A 3 -7.609 -16.798 15.334 1.00 71.33 H new ATOM 0 HB THR A 3 -7.723 -19.451 14.152 1.00 34.44 H new ATOM 0 HG1 THR A 3 -8.324 -17.273 12.411 1.00 63.25 H new ATOM 0 HG21 THR A 3 -10.174 -18.926 14.076 1.00 72.43 H new ATOM 0 HG22 THR A 3 -9.450 -18.519 15.650 1.00 72.43 H new ATOM 0 HG23 THR A 3 -9.800 -17.232 14.472 1.00 72.43 H new ATOM 44 N PHE A 4 -6.483 -18.444 16.893 1.00 24.41 N ATOM 45 CA PHE A 4 -5.711 -19.125 17.927 1.00 4.00 C ATOM 46 C PHE A 4 -4.374 -18.412 18.113 1.00 42.45 C ATOM 47 O PHE A 4 -3.464 -18.575 17.302 1.00 71.44 O ATOM 48 CB PHE A 4 -5.573 -20.634 17.642 1.00 40.04 C ATOM 49 CG PHE A 4 -5.589 -21.523 18.868 1.00 51.12 C ATOM 50 CD1 PHE A 4 -4.626 -21.360 19.883 1.00 2.40 C ATOM 51 CD2 PHE A 4 -6.577 -22.520 18.994 1.00 41.34 C ATOM 52 CE1 PHE A 4 -4.668 -22.177 21.026 1.00 11.22 C ATOM 53 CE2 PHE A 4 -6.613 -23.335 20.137 1.00 73.11 C ATOM 54 CZ PHE A 4 -5.661 -23.163 21.156 1.00 60.12 C ATOM 0 H PHE A 4 -7.339 -18.029 17.261 1.00 24.41 H new ATOM 0 HA PHE A 4 -6.247 -19.070 18.875 1.00 4.00 H new ATOM 0 HB2 PHE A 4 -6.384 -20.939 16.981 1.00 40.04 H new ATOM 0 HB3 PHE A 4 -4.641 -20.802 17.102 1.00 40.04 H new ATOM 0 HD1 PHE A 4 -3.857 -20.609 19.783 1.00 2.40 H new ATOM 0 HD2 PHE A 4 -7.307 -22.657 18.210 1.00 41.34 H new ATOM 0 HE1 PHE A 4 -3.934 -22.047 21.808 1.00 11.22 H new ATOM 0 HE2 PHE A 4 -7.374 -24.095 20.233 1.00 73.11 H new ATOM 0 HZ PHE A 4 -5.692 -23.787 22.037 1.00 60.12 H new ATOM 63 N ASP A 5 -4.285 -17.610 19.174 1.00 24.20 N ATOM 64 CA ASP A 5 -3.119 -16.799 19.530 1.00 14.32 C ATOM 65 C ASP A 5 -1.882 -17.675 19.719 1.00 71.55 C ATOM 66 O ASP A 5 -1.609 -18.147 20.823 1.00 51.04 O ATOM 67 CB ASP A 5 -3.381 -16.025 20.835 1.00 33.44 C ATOM 68 CG ASP A 5 -4.244 -14.791 20.652 1.00 20.54 C ATOM 69 OD1 ASP A 5 -4.219 -14.141 19.589 1.00 41.11 O ATOM 70 OD2 ASP A 5 -4.964 -14.442 21.611 1.00 44.14 O ATOM 0 H ASP A 5 -5.054 -17.503 19.836 1.00 24.20 H new ATOM 0 HA ASP A 5 -2.943 -16.099 18.714 1.00 14.32 H new ATOM 0 HB2 ASP A 5 -3.863 -16.691 21.551 1.00 33.44 H new ATOM 0 HB3 ASP A 5 -2.426 -15.728 21.268 1.00 33.44 H new ATOM 74 N ASP A 6 -1.113 -17.905 18.657 1.00 60.15 N ATOM 75 CA ASP A 6 0.062 -18.766 18.694 1.00 22.11 C ATOM 76 C ASP A 6 0.994 -18.471 17.513 1.00 35.41 C ATOM 77 O ASP A 6 0.540 -18.019 16.456 1.00 53.43 O ATOM 78 CB ASP A 6 -0.395 -20.231 18.680 1.00 0.04 C ATOM 79 CG ASP A 6 0.754 -21.187 18.967 1.00 35.14 C ATOM 80 OD1 ASP A 6 1.782 -20.741 19.540 1.00 43.34 O ATOM 81 OD2 ASP A 6 0.587 -22.362 18.578 1.00 14.20 O ATOM 0 H ASP A 6 -1.291 -17.495 17.740 1.00 60.15 H new ATOM 0 HA ASP A 6 0.625 -18.572 19.607 1.00 22.11 H new ATOM 0 HB2 ASP A 6 -1.180 -20.373 19.423 1.00 0.04 H new ATOM 0 HB3 ASP A 6 -0.829 -20.467 17.708 1.00 0.04 H new ATOM 85 N ARG A 7 2.304 -18.699 17.656 1.00 1.33 N ATOM 86 CA ARG A 7 3.296 -18.168 16.708 1.00 73.15 C ATOM 87 C ARG A 7 3.544 -19.073 15.508 1.00 51.02 C ATOM 88 O ARG A 7 4.180 -18.653 14.544 1.00 60.42 O ATOM 89 CB ARG A 7 4.635 -17.927 17.433 1.00 74.55 C ATOM 90 CG ARG A 7 4.551 -16.843 18.513 1.00 51.13 C ATOM 91 CD ARG A 7 5.956 -16.399 18.942 1.00 71.15 C ATOM 92 NE ARG A 7 5.923 -15.378 19.999 1.00 71.34 N ATOM 93 CZ ARG A 7 6.314 -15.486 21.272 1.00 4.13 C ATOM 94 NH1 ARG A 7 6.666 -16.656 21.797 1.00 73.44 N ATOM 95 NH2 ARG A 7 6.359 -14.403 22.039 1.00 23.41 N ATOM 0 H ARG A 7 2.704 -19.247 18.418 1.00 1.33 H new ATOM 0 HA ARG A 7 2.879 -17.236 16.327 1.00 73.15 H new ATOM 0 HB2 ARG A 7 4.967 -18.860 17.889 1.00 74.55 H new ATOM 0 HB3 ARG A 7 5.391 -17.643 16.701 1.00 74.55 H new ATOM 0 HG2 ARG A 7 3.993 -15.987 18.134 1.00 51.13 H new ATOM 0 HG3 ARG A 7 4.004 -17.223 19.376 1.00 51.13 H new ATOM 0 HD2 ARG A 7 6.516 -17.265 19.295 1.00 71.15 H new ATOM 0 HD3 ARG A 7 6.490 -16.005 18.077 1.00 71.15 H new ATOM 0 HE ARG A 7 5.553 -14.468 19.725 1.00 71.34 H new ATOM 0 HH11 ARG A 7 6.641 -17.500 21.225 1.00 73.44 H new ATOM 0 HH12 ARG A 7 6.961 -16.710 22.772 1.00 73.44 H new ATOM 0 HH21 ARG A 7 6.096 -13.495 21.656 1.00 23.41 H new ATOM 0 HH22 ARG A 7 6.657 -14.479 23.012 1.00 23.41 H new ATOM 106 N GLU A 8 2.958 -20.256 15.533 1.00 74.13 N ATOM 107 CA GLU A 8 3.348 -21.433 14.766 1.00 13.40 C ATOM 108 C GLU A 8 3.452 -21.194 13.257 1.00 11.21 C ATOM 109 O GLU A 8 4.493 -21.485 12.696 1.00 35.10 O ATOM 110 CB GLU A 8 2.372 -22.565 15.099 1.00 15.40 C ATOM 111 CG GLU A 8 2.630 -23.172 16.477 1.00 75.42 C ATOM 112 CD GLU A 8 3.852 -24.073 16.456 1.00 22.30 C ATOM 113 OE1 GLU A 8 3.699 -25.243 16.020 1.00 44.44 O ATOM 114 OE2 GLU A 8 4.950 -23.587 16.811 1.00 55.05 O ATOM 0 H GLU A 8 2.147 -20.435 16.125 1.00 74.13 H new ATOM 0 HA GLU A 8 4.362 -21.705 15.059 1.00 13.40 H new ATOM 0 HB2 GLU A 8 1.351 -22.184 15.058 1.00 15.40 H new ATOM 0 HB3 GLU A 8 2.452 -23.344 14.341 1.00 15.40 H new ATOM 0 HG2 GLU A 8 2.774 -22.376 17.208 1.00 75.42 H new ATOM 0 HG3 GLU A 8 1.758 -23.743 16.795 1.00 75.42 H new ATOM 119 N ARG A 9 2.392 -20.724 12.585 1.00 20.53 N ATOM 120 CA ARG A 9 2.316 -20.415 11.150 1.00 44.14 C ATOM 121 C ARG A 9 1.690 -19.050 10.876 1.00 60.25 C ATOM 122 O ARG A 9 1.310 -18.743 9.752 1.00 35.23 O ATOM 123 CB ARG A 9 1.585 -21.521 10.371 1.00 73.53 C ATOM 124 CG ARG A 9 2.223 -22.876 10.553 1.00 35.53 C ATOM 125 CD ARG A 9 1.786 -23.665 11.787 1.00 43.22 C ATOM 126 NE ARG A 9 0.928 -24.830 11.522 1.00 15.43 N ATOM 127 CZ ARG A 9 0.649 -25.742 12.463 1.00 52.32 C ATOM 128 NH1 ARG A 9 1.162 -25.622 13.683 1.00 51.05 N ATOM 129 NH2 ARG A 9 -0.132 -26.779 12.210 1.00 41.32 N ATOM 0 H ARG A 9 1.508 -20.538 13.059 1.00 20.53 H new ATOM 0 HA ARG A 9 3.345 -20.371 10.792 1.00 44.14 H new ATOM 0 HB2 ARG A 9 0.546 -21.565 10.698 1.00 73.53 H new ATOM 0 HB3 ARG A 9 1.574 -21.268 9.311 1.00 73.53 H new ATOM 0 HG2 ARG A 9 2.010 -23.477 9.669 1.00 35.53 H new ATOM 0 HG3 ARG A 9 3.304 -22.743 10.596 1.00 35.53 H new ATOM 0 HD2 ARG A 9 2.678 -24.005 12.314 1.00 43.22 H new ATOM 0 HD3 ARG A 9 1.256 -22.990 12.459 1.00 43.22 H new ATOM 0 HE ARG A 9 0.532 -24.948 10.590 1.00 15.43 H new ATOM 0 HH11 ARG A 9 1.770 -24.834 13.905 1.00 51.05 H new ATOM 0 HH12 ARG A 9 0.948 -26.318 14.397 1.00 51.05 H new ATOM 0 HH21 ARG A 9 -0.537 -26.898 11.281 1.00 41.32 H new ATOM 0 HH22 ARG A 9 -0.329 -27.460 12.943 1.00 41.32 H new ATOM 140 N ALA A 10 1.571 -18.218 11.904 1.00 60.42 N ATOM 141 CA ALA A 10 0.716 -17.032 11.931 1.00 12.00 C ATOM 142 C ALA A 10 1.514 -15.744 11.783 1.00 71.54 C ATOM 143 O ALA A 10 0.925 -14.716 11.457 1.00 54.35 O ATOM 144 CB ALA A 10 -0.080 -16.979 13.235 1.00 0.30 C ATOM 0 H ALA A 10 2.085 -18.354 12.774 1.00 60.42 H new ATOM 0 HA ALA A 10 0.038 -17.112 11.081 1.00 12.00 H new ATOM 0 HB1 ALA A 10 -0.712 -16.091 13.240 1.00 0.30 H new ATOM 0 HB2 ALA A 10 -0.705 -17.869 13.316 1.00 0.30 H new ATOM 0 HB3 ALA A 10 0.608 -16.940 14.080 1.00 0.30 H new ATOM 150 N HIS A 11 2.823 -15.797 12.034 1.00 12.41 N ATOM 151 CA HIS A 11 3.746 -14.691 11.807 1.00 51.33 C ATOM 152 C HIS A 11 4.999 -15.144 11.083 1.00 40.23 C ATOM 153 O HIS A 11 5.557 -14.388 10.294 1.00 32.42 O ATOM 154 CB HIS A 11 4.078 -13.974 13.117 1.00 21.41 C ATOM 155 CG HIS A 11 2.985 -13.041 13.567 1.00 32.50 C ATOM 156 ND1 HIS A 11 3.012 -11.670 13.467 1.00 61.43 N ATOM 157 CD2 HIS A 11 1.789 -13.393 14.127 1.00 11.31 C ATOM 158 CE1 HIS A 11 1.857 -11.199 13.970 1.00 34.53 C ATOM 159 NE2 HIS A 11 1.091 -12.216 14.405 1.00 54.35 N ATOM 0 H HIS A 11 3.278 -16.629 12.409 1.00 12.41 H new ATOM 0 HA HIS A 11 3.246 -13.974 11.156 1.00 51.33 H new ATOM 0 HB2 HIS A 11 4.259 -14.715 13.895 1.00 21.41 H new ATOM 0 HB3 HIS A 11 5.002 -13.410 12.993 1.00 21.41 H new ATOM 0 HD2 HIS A 11 1.446 -14.399 14.320 1.00 11.31 H new ATOM 0 HE1 HIS A 11 1.584 -10.155 14.018 1.00 34.53 H new ATOM 0 HE2 HIS A 11 0.177 -12.142 14.852 1.00 54.35 H new ATOM 166 N GLU A 12 5.381 -16.398 11.281 1.00 31.11 N ATOM 167 CA GLU A 12 6.494 -17.008 10.572 1.00 21.13 C ATOM 168 C GLU A 12 6.104 -17.388 9.138 1.00 24.22 C ATOM 169 O GLU A 12 6.835 -17.017 8.219 1.00 43.43 O ATOM 170 CB GLU A 12 7.154 -18.111 11.402 1.00 3.33 C ATOM 171 CG GLU A 12 6.297 -19.342 11.643 1.00 0.20 C ATOM 172 CD GLU A 12 6.465 -20.394 10.543 1.00 14.33 C ATOM 173 OE1 GLU A 12 7.607 -20.828 10.258 1.00 32.44 O ATOM 174 OE2 GLU A 12 5.452 -20.779 9.922 1.00 12.11 O ATOM 0 H GLU A 12 4.923 -17.024 11.943 1.00 31.11 H new ATOM 0 HA GLU A 12 7.285 -16.270 10.444 1.00 21.13 H new ATOM 0 HB2 GLU A 12 8.072 -18.420 10.902 1.00 3.33 H new ATOM 0 HB3 GLU A 12 7.442 -17.694 12.367 1.00 3.33 H new ATOM 0 HG2 GLU A 12 6.559 -19.781 12.605 1.00 0.20 H new ATOM 0 HG3 GLU A 12 5.250 -19.046 11.702 1.00 0.20 H new ATOM 179 N ALA A 13 4.926 -17.995 8.908 1.00 1.03 N ATOM 180 CA ALA A 13 4.506 -18.367 7.545 1.00 32.13 C ATOM 181 C ALA A 13 3.462 -17.436 6.927 1.00 35.14 C ATOM 182 O ALA A 13 3.483 -17.251 5.709 1.00 60.25 O ATOM 183 CB ALA A 13 3.975 -19.804 7.494 1.00 13.10 C ATOM 0 H ALA A 13 4.256 -18.236 9.638 1.00 1.03 H new ATOM 0 HA ALA A 13 5.415 -18.274 6.950 1.00 32.13 H new ATOM 0 HB1 ALA A 13 3.674 -20.045 6.474 1.00 13.10 H new ATOM 0 HB2 ALA A 13 4.757 -20.492 7.814 1.00 13.10 H new ATOM 0 HB3 ALA A 13 3.115 -19.898 8.158 1.00 13.10 H new ATOM 189 N LYS A 14 2.517 -16.899 7.713 1.00 23.33 N ATOM 190 CA LYS A 14 1.285 -16.343 7.129 1.00 33.32 C ATOM 191 C LYS A 14 1.531 -15.215 6.134 1.00 24.20 C ATOM 192 O LYS A 14 0.779 -15.040 5.169 1.00 32.54 O ATOM 193 CB LYS A 14 0.349 -15.838 8.240 1.00 3.32 C ATOM 194 CG LYS A 14 -1.104 -16.254 7.968 1.00 3.34 C ATOM 195 CD LYS A 14 -1.312 -17.754 8.233 1.00 62.25 C ATOM 196 CE LYS A 14 -2.551 -18.275 7.507 1.00 13.34 C ATOM 197 NZ LYS A 14 -2.637 -19.745 7.567 1.00 31.31 N ATOM 0 H LYS A 14 2.577 -16.838 8.729 1.00 23.33 H new ATOM 0 HA LYS A 14 0.823 -17.162 6.577 1.00 33.32 H new ATOM 0 HB2 LYS A 14 0.671 -16.238 9.201 1.00 3.32 H new ATOM 0 HB3 LYS A 14 0.413 -14.752 8.309 1.00 3.32 H new ATOM 0 HG2 LYS A 14 -1.776 -15.674 8.601 1.00 3.34 H new ATOM 0 HG3 LYS A 14 -1.363 -16.025 6.934 1.00 3.34 H new ATOM 0 HD2 LYS A 14 -0.434 -18.310 7.904 1.00 62.25 H new ATOM 0 HD3 LYS A 14 -1.415 -17.926 9.304 1.00 62.25 H new ATOM 0 HE2 LYS A 14 -3.445 -17.839 7.953 1.00 13.34 H new ATOM 0 HE3 LYS A 14 -2.525 -17.954 6.466 1.00 13.34 H new ATOM 0 HZ1 LYS A 14 -3.490 -20.064 7.064 1.00 31.31 H new ATOM 0 HZ2 LYS A 14 -1.795 -20.161 7.119 1.00 31.31 H new ATOM 0 HZ3 LYS A 14 -2.687 -20.050 8.560 1.00 31.31 H new ATOM 207 N PHE A 15 2.569 -14.433 6.393 1.00 3.43 N ATOM 208 CA PHE A 15 2.951 -13.301 5.586 1.00 53.04 C ATOM 209 C PHE A 15 3.974 -13.760 4.538 1.00 2.03 C ATOM 210 O PHE A 15 3.845 -13.403 3.371 1.00 12.22 O ATOM 211 CB PHE A 15 3.448 -12.201 6.533 1.00 32.30 C ATOM 212 CG PHE A 15 2.453 -11.846 7.633 1.00 4.00 C ATOM 213 CD1 PHE A 15 1.263 -11.173 7.313 1.00 43.45 C ATOM 214 CD2 PHE A 15 2.673 -12.241 8.966 1.00 3.03 C ATOM 215 CE1 PHE A 15 0.296 -10.899 8.293 1.00 0.04 C ATOM 216 CE2 PHE A 15 1.717 -11.949 9.958 1.00 35.42 C ATOM 217 CZ PHE A 15 0.527 -11.284 9.623 1.00 40.21 C ATOM 0 H PHE A 15 3.181 -14.579 7.195 1.00 3.43 H new ATOM 0 HA PHE A 15 2.120 -12.880 5.020 1.00 53.04 H new ATOM 0 HB2 PHE A 15 4.383 -12.523 6.991 1.00 32.30 H new ATOM 0 HB3 PHE A 15 3.669 -11.306 5.952 1.00 32.30 H new ATOM 0 HD1 PHE A 15 1.088 -10.860 6.294 1.00 43.45 H new ATOM 0 HD2 PHE A 15 3.577 -12.769 9.229 1.00 3.03 H new ATOM 0 HE1 PHE A 15 -0.621 -10.395 8.025 1.00 0.04 H new ATOM 0 HE2 PHE A 15 1.900 -12.238 10.982 1.00 35.42 H new ATOM 0 HZ PHE A 15 -0.208 -11.070 10.385 1.00 40.21 H new ATOM 226 N ALA A 16 4.916 -14.629 4.927 1.00 4.14 N ATOM 227 CA ALA A 16 5.971 -15.193 4.092 1.00 14.10 C ATOM 228 C ALA A 16 5.437 -15.808 2.802 1.00 24.52 C ATOM 229 O ALA A 16 6.036 -15.571 1.752 1.00 44.42 O ATOM 230 CB ALA A 16 6.788 -16.219 4.883 1.00 23.34 C ATOM 0 H ALA A 16 4.960 -14.973 5.886 1.00 4.14 H new ATOM 0 HA ALA A 16 6.620 -14.368 3.800 1.00 14.10 H new ATOM 0 HB1 ALA A 16 7.571 -16.630 4.246 1.00 23.34 H new ATOM 0 HB2 ALA A 16 7.241 -15.734 5.748 1.00 23.34 H new ATOM 0 HB3 ALA A 16 6.134 -17.024 5.219 1.00 23.34 H new ATOM 236 N HIS A 17 4.323 -16.550 2.865 1.00 4.34 N ATOM 237 CA HIS A 17 3.604 -17.007 1.680 1.00 41.21 C ATOM 238 C HIS A 17 3.125 -15.777 0.899 1.00 34.11 C ATOM 239 O HIS A 17 3.782 -15.344 -0.049 1.00 24.42 O ATOM 240 CB HIS A 17 2.409 -17.897 2.064 1.00 43.13 C ATOM 241 CG HIS A 17 2.718 -19.326 2.401 1.00 51.02 C ATOM 242 ND1 HIS A 17 2.345 -20.411 1.646 1.00 4.01 N ATOM 243 CD2 HIS A 17 3.230 -19.794 3.577 1.00 60.41 C ATOM 244 CE1 HIS A 17 2.578 -21.512 2.373 1.00 20.44 C ATOM 245 NE2 HIS A 17 3.119 -21.188 3.562 1.00 24.21 N ATOM 0 H HIS A 17 3.899 -16.848 3.743 1.00 4.34 H new ATOM 0 HA HIS A 17 4.271 -17.608 1.062 1.00 41.21 H new ATOM 0 HB2 HIS A 17 1.909 -17.445 2.921 1.00 43.13 H new ATOM 0 HB3 HIS A 17 1.698 -17.888 1.238 1.00 43.13 H new ATOM 0 HD2 HIS A 17 3.646 -19.196 4.375 1.00 60.41 H new ATOM 0 HE1 HIS A 17 2.362 -22.520 2.050 1.00 20.44 H new ATOM 0 HE2 HIS A 17 3.393 -21.831 4.305 1.00 24.21 H new ATOM 252 N ASP A 18 1.971 -15.242 1.303 1.00 33.10 N ATOM 253 CA ASP A 18 1.441 -13.911 0.999 1.00 11.44 C ATOM 254 C ASP A 18 0.031 -13.702 1.521 1.00 60.43 C ATOM 255 O ASP A 18 -0.464 -12.580 1.574 1.00 23.12 O ATOM 256 CB ASP A 18 1.352 -13.620 -0.507 1.00 3.23 C ATOM 257 CG ASP A 18 0.752 -14.719 -1.384 1.00 60.43 C ATOM 258 OD1 ASP A 18 -0.183 -15.434 -0.949 1.00 62.35 O ATOM 259 OD2 ASP A 18 1.234 -14.826 -2.536 1.00 13.03 O ATOM 0 H ASP A 18 1.333 -15.770 1.898 1.00 33.10 H new ATOM 0 HA ASP A 18 2.154 -13.247 1.488 1.00 11.44 H new ATOM 0 HB2 ASP A 18 0.761 -12.714 -0.644 1.00 3.23 H new ATOM 0 HB3 ASP A 18 2.356 -13.404 -0.872 1.00 3.23 H new ATOM 263 N ALA A 19 -0.581 -14.759 2.020 1.00 43.22 N ATOM 264 CA ALA A 19 -2.034 -14.806 2.007 1.00 75.22 C ATOM 265 C ALA A 19 -2.664 -14.106 3.211 1.00 72.44 C ATOM 266 O ALA A 19 -3.890 -14.018 3.300 1.00 23.41 O ATOM 267 CB ALA A 19 -2.462 -16.251 1.809 1.00 32.41 C ATOM 0 H ALA A 19 -0.117 -15.571 2.426 1.00 43.22 H new ATOM 0 HA ALA A 19 -2.419 -14.226 1.168 1.00 75.22 H new ATOM 0 HB1 ALA A 19 -3.550 -16.310 1.796 1.00 32.41 H new ATOM 0 HB2 ALA A 19 -2.067 -16.621 0.863 1.00 32.41 H new ATOM 0 HB3 ALA A 19 -2.076 -16.860 2.626 1.00 32.41 H new ATOM 273 N GLU A 20 -1.846 -13.566 4.113 1.00 74.14 N ATOM 274 CA GLU A 20 -2.257 -12.524 5.046 1.00 63.21 C ATOM 275 C GLU A 20 -1.352 -11.280 4.902 1.00 64.54 C ATOM 276 O GLU A 20 -1.670 -10.220 5.437 1.00 1.31 O ATOM 277 CB GLU A 20 -2.352 -13.132 6.461 1.00 35.13 C ATOM 278 CG GLU A 20 -3.442 -12.473 7.322 1.00 15.02 C ATOM 279 CD GLU A 20 -3.876 -13.326 8.528 1.00 34.40 C ATOM 280 OE1 GLU A 20 -4.444 -14.428 8.330 1.00 51.45 O ATOM 281 OE2 GLU A 20 -3.735 -12.840 9.676 1.00 54.22 O ATOM 0 H GLU A 20 -0.870 -13.844 4.216 1.00 74.14 H new ATOM 0 HA GLU A 20 -3.255 -12.148 4.819 1.00 63.21 H new ATOM 0 HB2 GLU A 20 -2.556 -14.200 6.380 1.00 35.13 H new ATOM 0 HB3 GLU A 20 -1.389 -13.029 6.961 1.00 35.13 H new ATOM 0 HG2 GLU A 20 -3.077 -11.511 7.681 1.00 15.02 H new ATOM 0 HG3 GLU A 20 -4.313 -12.271 6.698 1.00 15.02 H new ATOM 286 N LEU A 21 -0.263 -11.354 4.115 1.00 11.21 N ATOM 287 CA LEU A 21 0.596 -10.212 3.770 1.00 3.00 C ATOM 288 C LEU A 21 -0.136 -9.264 2.846 1.00 12.43 C ATOM 289 O LEU A 21 -0.148 -8.068 3.116 1.00 35.31 O ATOM 290 CB LEU A 21 1.901 -10.651 3.079 1.00 20.11 C ATOM 291 CG LEU A 21 2.855 -9.486 2.735 1.00 15.13 C ATOM 292 CD1 LEU A 21 3.512 -8.918 3.998 1.00 60.35 C ATOM 293 CD2 LEU A 21 3.946 -9.967 1.777 1.00 55.22 C ATOM 0 H LEU A 21 0.049 -12.229 3.694 1.00 11.21 H new ATOM 0 HA LEU A 21 0.848 -9.717 4.708 1.00 3.00 H new ATOM 0 HB2 LEU A 21 2.423 -11.355 3.727 1.00 20.11 H new ATOM 0 HB3 LEU A 21 1.652 -11.185 2.162 1.00 20.11 H new ATOM 0 HG LEU A 21 2.265 -8.701 2.262 1.00 15.13 H new ATOM 0 HD11 LEU A 21 4.178 -8.100 3.725 1.00 60.35 H new ATOM 0 HD12 LEU A 21 2.741 -8.548 4.674 1.00 60.35 H new ATOM 0 HD13 LEU A 21 4.085 -9.702 4.494 1.00 60.35 H new ATOM 0 HD21 LEU A 21 4.614 -9.138 1.540 1.00 55.22 H new ATOM 0 HD22 LEU A 21 4.515 -10.769 2.247 1.00 55.22 H new ATOM 0 HD23 LEU A 21 3.488 -10.337 0.860 1.00 55.22 H new ATOM 304 N ASN A 22 -0.743 -9.779 1.775 1.00 23.32 N ATOM 305 CA ASN A 22 -1.429 -8.961 0.785 1.00 72.52 C ATOM 306 C ASN A 22 -2.513 -8.114 1.453 1.00 11.00 C ATOM 307 O ASN A 22 -2.784 -7.019 0.978 1.00 75.11 O ATOM 308 CB ASN A 22 -1.985 -9.819 -0.376 1.00 31.31 C ATOM 309 CG ASN A 22 -0.957 -10.087 -1.480 1.00 40.31 C ATOM 310 OD1 ASN A 22 -0.107 -9.245 -1.770 1.00 75.53 O ATOM 311 ND2 ASN A 22 -0.986 -11.241 -2.114 1.00 61.54 N ATOM 0 H ASN A 22 -0.770 -10.779 1.573 1.00 23.32 H new ATOM 0 HA ASN A 22 -0.705 -8.278 0.341 1.00 72.52 H new ATOM 0 HB2 ASN A 22 -2.337 -10.771 0.022 1.00 31.31 H new ATOM 0 HB3 ASN A 22 -2.849 -9.315 -0.809 1.00 31.31 H new ATOM 0 HD21 ASN A 22 -0.304 -11.438 -2.846 1.00 61.54 H new ATOM 0 HD22 ASN A 22 -1.691 -11.938 -1.873 1.00 61.54 H new ATOM 317 N PHE A 23 -3.081 -8.535 2.588 1.00 61.41 N ATOM 318 CA PHE A 23 -3.982 -7.689 3.363 1.00 75.13 C ATOM 319 C PHE A 23 -3.254 -6.510 4.009 1.00 12.33 C ATOM 320 O PHE A 23 -3.672 -5.361 3.891 1.00 43.04 O ATOM 321 CB PHE A 23 -4.724 -8.519 4.424 1.00 62.12 C ATOM 322 CG PHE A 23 -6.221 -8.488 4.211 1.00 13.41 C ATOM 323 CD1 PHE A 23 -6.896 -7.257 4.242 1.00 20.20 C ATOM 324 CD2 PHE A 23 -6.923 -9.659 3.889 1.00 13.01 C ATOM 325 CE1 PHE A 23 -8.267 -7.191 3.950 1.00 41.12 C ATOM 326 CE2 PHE A 23 -8.297 -9.598 3.597 1.00 24.42 C ATOM 327 CZ PHE A 23 -8.966 -8.365 3.624 1.00 34.42 C ATOM 0 H PHE A 23 -2.929 -9.461 2.988 1.00 61.41 H new ATOM 0 HA PHE A 23 -4.712 -7.273 2.669 1.00 75.13 H new ATOM 0 HB2 PHE A 23 -4.373 -9.550 4.391 1.00 62.12 H new ATOM 0 HB3 PHE A 23 -4.489 -8.134 5.417 1.00 62.12 H new ATOM 0 HD1 PHE A 23 -6.357 -6.355 4.492 1.00 20.20 H new ATOM 0 HD2 PHE A 23 -6.408 -10.608 3.865 1.00 13.01 H new ATOM 0 HE1 PHE A 23 -8.782 -6.242 3.976 1.00 41.12 H new ATOM 0 HE2 PHE A 23 -8.838 -10.500 3.352 1.00 24.42 H new ATOM 0 HZ PHE A 23 -10.020 -8.318 3.394 1.00 34.42 H new ATOM 336 N LYS A 24 -2.181 -6.773 4.754 1.00 13.30 N ATOM 337 CA LYS A 24 -1.463 -5.728 5.467 1.00 75.35 C ATOM 338 C LYS A 24 -0.777 -4.806 4.464 1.00 12.04 C ATOM 339 O LYS A 24 -1.039 -3.609 4.464 1.00 55.23 O ATOM 340 CB LYS A 24 -0.489 -6.355 6.473 1.00 22.31 C ATOM 341 CG LYS A 24 -1.120 -7.421 7.380 1.00 35.41 C ATOM 342 CD LYS A 24 -2.151 -6.906 8.391 1.00 23.42 C ATOM 343 CE LYS A 24 -2.854 -8.139 8.974 1.00 13.20 C ATOM 344 NZ LYS A 24 -3.849 -7.799 10.010 1.00 4.30 N ATOM 0 H LYS A 24 -1.791 -7.708 4.877 1.00 13.30 H new ATOM 0 HA LYS A 24 -2.156 -5.115 6.044 1.00 75.35 H new ATOM 0 HB2 LYS A 24 0.341 -6.804 5.927 1.00 22.31 H new ATOM 0 HB3 LYS A 24 -0.070 -5.565 7.097 1.00 22.31 H new ATOM 0 HG2 LYS A 24 -1.599 -8.171 6.750 1.00 35.41 H new ATOM 0 HG3 LYS A 24 -0.323 -7.925 7.926 1.00 35.41 H new ATOM 0 HD2 LYS A 24 -1.666 -6.329 9.178 1.00 23.42 H new ATOM 0 HD3 LYS A 24 -2.869 -6.244 7.908 1.00 23.42 H new ATOM 0 HE2 LYS A 24 -3.347 -8.684 8.169 1.00 13.20 H new ATOM 0 HE3 LYS A 24 -2.107 -8.808 9.401 1.00 13.20 H new ATOM 0 HZ1 LYS A 24 -4.291 -8.670 10.366 1.00 4.30 H new ATOM 0 HZ2 LYS A 24 -3.378 -7.304 10.794 1.00 4.30 H new ATOM 0 HZ3 LYS A 24 -4.580 -7.183 9.600 1.00 4.30 H new ATOM 354 N ALA A 25 0.099 -5.345 3.616 1.00 24.22 N ATOM 355 CA ALA A 25 0.984 -4.568 2.763 1.00 62.22 C ATOM 356 C ALA A 25 0.212 -3.663 1.797 1.00 75.54 C ATOM 357 O ALA A 25 0.652 -2.535 1.579 1.00 0.41 O ATOM 358 CB ALA A 25 1.948 -5.507 2.031 1.00 42.03 C ATOM 0 H ALA A 25 0.212 -6.353 3.504 1.00 24.22 H new ATOM 0 HA ALA A 25 1.567 -3.896 3.393 1.00 62.22 H new ATOM 0 HB1 ALA A 25 2.610 -4.923 1.392 1.00 42.03 H new ATOM 0 HB2 ALA A 25 2.541 -6.060 2.760 1.00 42.03 H new ATOM 0 HB3 ALA A 25 1.379 -6.208 1.420 1.00 42.03 H new ATOM 364 N GLU A 26 -0.935 -4.092 1.254 1.00 35.50 N ATOM 365 CA GLU A 26 -1.744 -3.253 0.369 1.00 53.04 C ATOM 366 C GLU A 26 -2.271 -2.023 1.128 1.00 42.04 C ATOM 367 O GLU A 26 -2.040 -0.871 0.743 1.00 4.22 O ATOM 368 CB GLU A 26 -2.928 -4.055 -0.194 1.00 12.22 C ATOM 369 CG GLU A 26 -2.641 -4.918 -1.436 1.00 34.32 C ATOM 370 CD GLU A 26 -3.864 -4.906 -2.358 1.00 63.51 C ATOM 371 OE1 GLU A 26 -4.942 -5.380 -1.935 1.00 52.33 O ATOM 372 OE2 GLU A 26 -3.804 -4.235 -3.418 1.00 20.33 O ATOM 0 H GLU A 26 -1.323 -5.022 1.415 1.00 35.50 H new ATOM 0 HA GLU A 26 -1.113 -2.920 -0.455 1.00 53.04 H new ATOM 0 HB2 GLU A 26 -3.306 -4.706 0.595 1.00 12.22 H new ATOM 0 HB3 GLU A 26 -3.727 -3.356 -0.441 1.00 12.22 H new ATOM 0 HG2 GLU A 26 -1.769 -4.534 -1.965 1.00 34.32 H new ATOM 0 HG3 GLU A 26 -2.408 -5.940 -1.136 1.00 34.32 H new ATOM 377 N ALA A 27 -2.942 -2.251 2.256 1.00 64.43 N ATOM 378 CA ALA A 27 -3.514 -1.183 3.070 1.00 73.21 C ATOM 379 C ALA A 27 -2.455 -0.408 3.874 1.00 23.42 C ATOM 380 O ALA A 27 -2.787 0.497 4.650 1.00 31.43 O ATOM 381 CB ALA A 27 -4.574 -1.769 3.993 1.00 13.33 C ATOM 0 H ALA A 27 -3.104 -3.186 2.631 1.00 64.43 H new ATOM 0 HA ALA A 27 -3.968 -0.458 2.395 1.00 73.21 H new ATOM 0 HB1 ALA A 27 -5.004 -0.975 4.603 1.00 13.33 H new ATOM 0 HB2 ALA A 27 -5.359 -2.234 3.397 1.00 13.33 H new ATOM 0 HB3 ALA A 27 -4.119 -2.518 4.641 1.00 13.33 H new ATOM 387 N ARG A 28 -1.172 -0.730 3.703 1.00 61.14 N ATOM 388 CA ARG A 28 -0.049 0.034 4.232 1.00 52.33 C ATOM 389 C ARG A 28 0.528 0.914 3.140 1.00 73.45 C ATOM 390 O ARG A 28 0.625 2.127 3.331 1.00 21.12 O ATOM 391 CB ARG A 28 1.007 -0.920 4.800 1.00 61.24 C ATOM 392 CG ARG A 28 0.552 -1.550 6.118 1.00 11.40 C ATOM 393 CD ARG A 28 0.683 -0.599 7.300 1.00 12.00 C ATOM 394 NE ARG A 28 -0.557 -0.592 8.088 1.00 35.43 N ATOM 395 CZ ARG A 28 -0.746 0.089 9.216 1.00 34.43 C ATOM 396 NH1 ARG A 28 0.178 0.924 9.671 1.00 72.43 N ATOM 397 NH2 ARG A 28 -1.883 -0.081 9.867 1.00 13.30 N ATOM 0 H ARG A 28 -0.881 -1.554 3.177 1.00 61.14 H new ATOM 0 HA ARG A 28 -0.389 0.679 5.042 1.00 52.33 H new ATOM 0 HB2 ARG A 28 1.215 -1.706 4.074 1.00 61.24 H new ATOM 0 HB3 ARG A 28 1.939 -0.378 4.959 1.00 61.24 H new ATOM 0 HG2 ARG A 28 -0.487 -1.867 6.025 1.00 11.40 H new ATOM 0 HG3 ARG A 28 1.142 -2.446 6.311 1.00 11.40 H new ATOM 0 HD2 ARG A 28 1.520 -0.903 7.929 1.00 12.00 H new ATOM 0 HD3 ARG A 28 0.901 0.408 6.943 1.00 12.00 H new ATOM 0 HE ARG A 28 -1.335 -1.154 7.743 1.00 35.43 H new ATOM 0 HH11 ARG A 28 1.049 1.052 9.155 1.00 72.43 H new ATOM 0 HH12 ARG A 28 0.018 1.439 10.537 1.00 72.43 H new ATOM 0 HH21 ARG A 28 -2.589 -0.721 9.502 1.00 13.30 H new ATOM 0 HH22 ARG A 28 -2.055 0.428 10.734 1.00 13.30 H new ATOM 408 N ARG A 29 0.875 0.329 1.985 1.00 63.32 N ATOM 409 CA ARG A 29 1.548 1.036 0.897 1.00 20.33 C ATOM 410 C ARG A 29 0.766 2.260 0.421 1.00 33.40 C ATOM 411 O ARG A 29 1.402 3.216 -0.017 1.00 74.41 O ATOM 412 CB ARG A 29 1.905 0.077 -0.255 1.00 62.53 C ATOM 413 CG ARG A 29 0.738 -0.560 -1.023 1.00 75.14 C ATOM 414 CD ARG A 29 0.069 0.319 -2.087 1.00 60.14 C ATOM 415 NE ARG A 29 -1.381 0.465 -1.891 1.00 62.41 N ATOM 416 CZ ARG A 29 -2.179 1.298 -2.571 1.00 2.44 C ATOM 417 NH1 ARG A 29 -1.675 2.147 -3.461 1.00 2.42 N ATOM 418 NH2 ARG A 29 -3.485 1.288 -2.348 1.00 23.00 N ATOM 0 H ARG A 29 0.694 -0.654 1.783 1.00 63.32 H new ATOM 0 HA ARG A 29 2.486 1.423 1.296 1.00 20.33 H new ATOM 0 HB2 ARG A 29 2.523 0.622 -0.969 1.00 62.53 H new ATOM 0 HB3 ARG A 29 2.520 -0.726 0.152 1.00 62.53 H new ATOM 0 HG2 ARG A 29 1.100 -1.467 -1.506 1.00 75.14 H new ATOM 0 HG3 ARG A 29 -0.021 -0.864 -0.302 1.00 75.14 H new ATOM 0 HD2 ARG A 29 0.532 1.306 -2.077 1.00 60.14 H new ATOM 0 HD3 ARG A 29 0.254 -0.110 -3.072 1.00 60.14 H new ATOM 0 HE ARG A 29 -1.816 -0.118 -1.176 1.00 62.41 H new ATOM 0 HH11 ARG A 29 -0.670 2.169 -3.632 1.00 2.42 H new ATOM 0 HH12 ARG A 29 -2.294 2.776 -3.973 1.00 2.42 H new ATOM 0 HH21 ARG A 29 -3.880 0.647 -1.660 1.00 23.00 H new ATOM 0 HH22 ARG A 29 -4.095 1.921 -2.864 1.00 23.00 H new ATOM 429 N ASN A 30 -0.573 2.267 0.532 1.00 14.42 N ATOM 430 CA ASN A 30 -1.397 3.425 0.159 1.00 14.04 C ATOM 431 C ASN A 30 -0.916 4.681 0.882 1.00 62.35 C ATOM 432 O ASN A 30 -0.844 5.733 0.264 1.00 0.24 O ATOM 433 CB ASN A 30 -2.905 3.198 0.473 1.00 60.33 C ATOM 434 CG ASN A 30 -3.259 3.152 1.958 1.00 32.22 C ATOM 435 OD1 ASN A 30 -3.176 4.107 2.722 1.00 52.03 O ATOM 436 ND2 ASN A 30 -3.650 1.987 2.409 1.00 31.41 N ATOM 0 H ASN A 30 -1.111 1.474 0.881 1.00 14.42 H new ATOM 0 HA ASN A 30 -1.289 3.554 -0.918 1.00 14.04 H new ATOM 0 HB2 ASN A 30 -3.482 3.994 0.003 1.00 60.33 H new ATOM 0 HB3 ASN A 30 -3.219 2.262 0.012 1.00 60.33 H new ATOM 0 HD21 ASN A 30 -3.885 1.875 3.395 1.00 31.41 H new ATOM 0 HD22 ASN A 30 -3.719 1.192 1.774 1.00 31.41 H new ATOM 442 N ARG A 31 -0.539 4.582 2.159 1.00 33.53 N ATOM 443 CA ARG A 31 -0.221 5.743 2.973 1.00 72.44 C ATOM 444 C ARG A 31 1.101 6.310 2.479 1.00 73.45 C ATOM 445 O ARG A 31 1.210 7.496 2.185 1.00 51.14 O ATOM 446 CB ARG A 31 -0.164 5.323 4.449 1.00 73.21 C ATOM 447 CG ARG A 31 0.111 6.515 5.369 1.00 44.05 C ATOM 448 CD ARG A 31 0.288 6.056 6.817 1.00 35.14 C ATOM 449 NE ARG A 31 0.744 7.188 7.624 1.00 42.14 N ATOM 450 CZ ARG A 31 1.960 7.346 8.148 1.00 62.14 C ATOM 451 NH1 ARG A 31 2.743 6.317 8.463 1.00 41.04 N ATOM 452 NH2 ARG A 31 2.389 8.582 8.322 1.00 60.53 N ATOM 0 H ARG A 31 -0.448 3.693 2.651 1.00 33.53 H new ATOM 0 HA ARG A 31 -0.983 6.518 2.889 1.00 72.44 H new ATOM 0 HB2 ARG A 31 -1.108 4.857 4.731 1.00 73.21 H new ATOM 0 HB3 ARG A 31 0.615 4.573 4.584 1.00 73.21 H new ATOM 0 HG2 ARG A 31 1.008 7.037 5.036 1.00 44.05 H new ATOM 0 HG3 ARG A 31 -0.713 7.226 5.307 1.00 44.05 H new ATOM 0 HD2 ARG A 31 -0.654 5.671 7.207 1.00 35.14 H new ATOM 0 HD3 ARG A 31 1.011 5.242 6.868 1.00 35.14 H new ATOM 0 HE ARG A 31 0.066 7.928 7.803 1.00 42.14 H new ATOM 0 HH11 ARG A 31 2.419 5.363 8.305 1.00 41.04 H new ATOM 0 HH12 ARG A 31 3.667 6.483 8.862 1.00 41.04 H new ATOM 0 HH21 ARG A 31 1.796 9.369 8.059 1.00 60.53 H new ATOM 0 HH22 ARG A 31 3.313 8.750 8.720 1.00 60.53 H new ATOM 463 N LEU A 32 2.092 5.421 2.348 1.00 0.24 N ATOM 464 CA LEU A 32 3.434 5.747 1.886 1.00 52.11 C ATOM 465 C LEU A 32 3.362 6.476 0.541 1.00 2.14 C ATOM 466 O LEU A 32 4.088 7.446 0.318 1.00 72.13 O ATOM 467 CB LEU A 32 4.293 4.471 1.739 1.00 55.14 C ATOM 468 CG LEU A 32 4.341 3.508 2.943 1.00 52.24 C ATOM 469 CD1 LEU A 32 5.226 2.299 2.613 1.00 51.44 C ATOM 470 CD2 LEU A 32 4.864 4.181 4.213 1.00 23.23 C ATOM 0 H LEU A 32 1.974 4.432 2.567 1.00 0.24 H new ATOM 0 HA LEU A 32 3.900 6.395 2.628 1.00 52.11 H new ATOM 0 HB2 LEU A 32 3.926 3.915 0.877 1.00 55.14 H new ATOM 0 HB3 LEU A 32 5.314 4.776 1.510 1.00 55.14 H new ATOM 0 HG LEU A 32 3.316 3.189 3.134 1.00 52.24 H new ATOM 0 HD11 LEU A 32 5.254 1.624 3.469 1.00 51.44 H new ATOM 0 HD12 LEU A 32 4.817 1.774 1.750 1.00 51.44 H new ATOM 0 HD13 LEU A 32 6.236 2.639 2.386 1.00 51.44 H new ATOM 0 HD21 LEU A 32 4.877 3.458 5.029 1.00 23.23 H new ATOM 0 HD22 LEU A 32 5.875 4.550 4.039 1.00 23.23 H new ATOM 0 HD23 LEU A 32 4.214 5.015 4.477 1.00 23.23 H new ATOM 481 N LEU A 33 2.506 5.987 -0.361 1.00 15.20 N ATOM 482 CA LEU A 33 2.362 6.484 -1.721 1.00 21.20 C ATOM 483 C LEU A 33 1.510 7.753 -1.783 1.00 41.34 C ATOM 484 O LEU A 33 1.774 8.643 -2.586 1.00 21.10 O ATOM 485 CB LEU A 33 1.726 5.368 -2.563 1.00 44.45 C ATOM 486 CG LEU A 33 1.946 5.544 -4.072 1.00 72.11 C ATOM 487 CD1 LEU A 33 3.411 5.326 -4.442 1.00 73.12 C ATOM 488 CD2 LEU A 33 1.193 4.448 -4.807 1.00 62.25 C ATOM 0 H LEU A 33 1.878 5.211 -0.153 1.00 15.20 H new ATOM 0 HA LEU A 33 3.344 6.753 -2.110 1.00 21.20 H new ATOM 0 HB2 LEU A 33 2.139 4.408 -2.252 1.00 44.45 H new ATOM 0 HB3 LEU A 33 0.655 5.335 -2.361 1.00 44.45 H new ATOM 0 HG LEU A 33 1.617 6.549 -4.336 1.00 72.11 H new ATOM 0 HD11 LEU A 33 3.538 5.457 -5.517 1.00 73.12 H new ATOM 0 HD12 LEU A 33 4.031 6.049 -3.913 1.00 73.12 H new ATOM 0 HD13 LEU A 33 3.711 4.316 -4.161 1.00 73.12 H new ATOM 0 HD21 LEU A 33 1.341 4.562 -5.881 1.00 62.25 H new ATOM 0 HD22 LEU A 33 1.567 3.474 -4.490 1.00 62.25 H new ATOM 0 HD23 LEU A 33 0.130 4.520 -4.578 1.00 62.25 H new ATOM 499 N GLY A 34 0.499 7.856 -0.923 1.00 52.11 N ATOM 500 CA GLY A 34 -0.369 9.013 -0.825 1.00 2.33 C ATOM 501 C GLY A 34 0.422 10.221 -0.350 1.00 4.44 C ATOM 502 O GLY A 34 0.294 11.296 -0.927 1.00 74.33 O ATOM 0 H GLY A 34 0.260 7.117 -0.262 1.00 52.11 H new ATOM 0 HA2 GLY A 34 -0.820 9.222 -1.795 1.00 2.33 H new ATOM 0 HA3 GLY A 34 -1.185 8.808 -0.132 1.00 2.33 H new ATOM 506 N GLU A 35 1.288 10.050 0.653 1.00 3.12 N ATOM 507 CA GLU A 35 2.124 11.135 1.164 1.00 60.12 C ATOM 508 C GLU A 35 3.063 11.690 0.073 1.00 13.20 C ATOM 509 O GLU A 35 3.388 12.880 0.082 1.00 35.31 O ATOM 510 CB GLU A 35 2.928 10.653 2.385 1.00 73.25 C ATOM 511 CG GLU A 35 2.063 10.499 3.646 1.00 33.12 C ATOM 512 CD GLU A 35 2.816 9.936 4.865 1.00 22.33 C ATOM 513 OE1 GLU A 35 4.076 9.984 4.935 1.00 42.44 O ATOM 514 OE2 GLU A 35 2.129 9.451 5.788 1.00 13.42 O ATOM 0 H GLU A 35 1.427 9.159 1.130 1.00 3.12 H new ATOM 0 HA GLU A 35 1.469 11.950 1.473 1.00 60.12 H new ATOM 0 HB2 GLU A 35 3.395 9.696 2.152 1.00 73.25 H new ATOM 0 HB3 GLU A 35 3.733 11.360 2.586 1.00 73.25 H new ATOM 0 HG2 GLU A 35 1.647 11.472 3.908 1.00 33.12 H new ATOM 0 HG3 GLU A 35 1.222 9.844 3.418 1.00 33.12 H new ATOM 519 N TRP A 36 3.476 10.860 -0.893 1.00 12.14 N ATOM 520 CA TRP A 36 4.211 11.309 -2.075 1.00 61.44 C ATOM 521 C TRP A 36 3.293 12.152 -2.963 1.00 61.22 C ATOM 522 O TRP A 36 3.546 13.342 -3.140 1.00 31.41 O ATOM 523 CB TRP A 36 4.800 10.107 -2.828 1.00 31.12 C ATOM 524 CG TRP A 36 5.311 10.367 -4.211 1.00 33.24 C ATOM 525 CD1 TRP A 36 6.448 11.025 -4.533 1.00 75.21 C ATOM 526 CD2 TRP A 36 4.664 10.050 -5.484 1.00 14.53 C ATOM 527 NE1 TRP A 36 6.598 11.047 -5.901 1.00 43.41 N ATOM 528 CE2 TRP A 36 5.516 10.481 -6.541 1.00 3.30 C ATOM 529 CE3 TRP A 36 3.417 9.494 -5.852 1.00 60.04 C ATOM 530 CZ2 TRP A 36 5.170 10.322 -7.891 1.00 11.50 C ATOM 531 CZ3 TRP A 36 3.026 9.428 -7.205 1.00 34.13 C ATOM 532 CH2 TRP A 36 3.912 9.811 -8.223 1.00 62.13 C ATOM 0 H TRP A 36 3.307 9.854 -0.874 1.00 12.14 H new ATOM 0 HA TRP A 36 5.048 11.936 -1.769 1.00 61.44 H new ATOM 0 HB2 TRP A 36 5.618 9.700 -2.233 1.00 31.12 H new ATOM 0 HB3 TRP A 36 4.034 9.334 -2.888 1.00 31.12 H new ATOM 0 HD1 TRP A 36 7.134 11.466 -3.825 1.00 75.21 H new ATOM 0 HE1 TRP A 36 7.410 11.434 -6.382 1.00 43.41 H new ATOM 0 HE3 TRP A 36 2.756 9.115 -5.087 1.00 60.04 H new ATOM 0 HZ2 TRP A 36 5.870 10.592 -8.668 1.00 11.50 H new ATOM 0 HZ3 TRP A 36 2.036 9.080 -7.460 1.00 34.13 H new ATOM 0 HH2 TRP A 36 3.623 9.711 -9.259 1.00 62.13 H new ATOM 542 N ALA A 37 2.216 11.563 -3.501 1.00 41.25 N ATOM 543 CA ALA A 37 1.346 12.247 -4.452 1.00 73.41 C ATOM 544 C ALA A 37 0.775 13.557 -3.885 1.00 15.30 C ATOM 545 O ALA A 37 0.652 14.530 -4.621 1.00 3.20 O ATOM 546 CB ALA A 37 0.243 11.290 -4.900 1.00 15.13 C ATOM 0 H ALA A 37 1.930 10.607 -3.288 1.00 41.25 H new ATOM 0 HA ALA A 37 1.939 12.537 -5.319 1.00 73.41 H new ATOM 0 HB1 ALA A 37 -0.411 11.795 -5.611 1.00 15.13 H new ATOM 0 HB2 ALA A 37 0.690 10.417 -5.375 1.00 15.13 H new ATOM 0 HB3 ALA A 37 -0.338 10.974 -4.034 1.00 15.13 H new ATOM 552 N ALA A 38 0.505 13.636 -2.579 1.00 23.00 N ATOM 553 CA ALA A 38 0.111 14.865 -1.895 1.00 54.24 C ATOM 554 C ALA A 38 1.050 16.037 -2.223 1.00 55.25 C ATOM 555 O ALA A 38 0.593 17.134 -2.561 1.00 73.31 O ATOM 556 CB ALA A 38 0.119 14.599 -0.393 1.00 13.22 C ATOM 0 H ALA A 38 0.556 12.829 -1.957 1.00 23.00 H new ATOM 0 HA ALA A 38 -0.885 15.150 -2.236 1.00 54.24 H new ATOM 0 HB1 ALA A 38 -0.173 15.505 0.138 1.00 13.22 H new ATOM 0 HB2 ALA A 38 -0.585 13.800 -0.161 1.00 13.22 H new ATOM 0 HB3 ALA A 38 1.120 14.302 -0.081 1.00 13.22 H new ATOM 562 N GLY A 39 2.363 15.802 -2.168 1.00 23.03 N ATOM 563 CA GLY A 39 3.381 16.806 -2.451 1.00 75.15 C ATOM 564 C GLY A 39 3.469 17.194 -3.925 1.00 32.42 C ATOM 565 O GLY A 39 4.176 18.148 -4.263 1.00 32.20 O ATOM 0 H GLY A 39 2.751 14.892 -1.921 1.00 23.03 H new ATOM 0 HA2 GLY A 39 3.172 17.699 -1.862 1.00 75.15 H new ATOM 0 HA3 GLY A 39 4.351 16.429 -2.125 1.00 75.15 H new ATOM 569 N LEU A 40 2.756 16.482 -4.798 1.00 64.42 N ATOM 570 CA LEU A 40 2.694 16.718 -6.232 1.00 31.22 C ATOM 571 C LEU A 40 1.426 17.455 -6.614 1.00 51.12 C ATOM 572 O LEU A 40 1.446 18.246 -7.550 1.00 71.42 O ATOM 573 CB LEU A 40 2.735 15.377 -6.975 1.00 74.01 C ATOM 574 CG LEU A 40 4.029 14.591 -6.755 1.00 72.14 C ATOM 575 CD1 LEU A 40 3.971 13.325 -7.600 1.00 20.12 C ATOM 576 CD2 LEU A 40 5.240 15.396 -7.206 1.00 21.10 C ATOM 0 H LEU A 40 2.182 15.691 -4.507 1.00 64.42 H new ATOM 0 HA LEU A 40 3.550 17.332 -6.510 1.00 31.22 H new ATOM 0 HB2 LEU A 40 1.891 14.767 -6.653 1.00 74.01 H new ATOM 0 HB3 LEU A 40 2.608 15.559 -8.042 1.00 74.01 H new ATOM 0 HG LEU A 40 4.123 14.365 -5.693 1.00 72.14 H new ATOM 0 HD11 LEU A 40 4.886 12.750 -7.457 1.00 20.12 H new ATOM 0 HD12 LEU A 40 3.114 12.724 -7.297 1.00 20.12 H new ATOM 0 HD13 LEU A 40 3.872 13.594 -8.652 1.00 20.12 H new ATOM 0 HD21 LEU A 40 6.146 14.814 -7.039 1.00 21.10 H new ATOM 0 HD22 LEU A 40 5.148 15.628 -8.267 1.00 21.10 H new ATOM 0 HD23 LEU A 40 5.293 16.323 -6.636 1.00 21.10 H new ATOM 587 N LEU A 41 0.305 17.202 -5.932 1.00 20.10 N ATOM 588 CA LEU A 41 -0.907 18.008 -6.116 1.00 60.02 C ATOM 589 C LEU A 41 -0.679 19.417 -5.582 1.00 44.13 C ATOM 590 O LEU A 41 -1.317 20.376 -6.022 1.00 11.21 O ATOM 591 CB LEU A 41 -2.102 17.403 -5.380 1.00 43.42 C ATOM 592 CG LEU A 41 -2.805 16.229 -6.065 1.00 33.32 C ATOM 593 CD1 LEU A 41 -3.383 16.610 -7.426 1.00 72.35 C ATOM 594 CD2 LEU A 41 -1.984 14.955 -6.096 1.00 64.41 C ATOM 0 H LEU A 41 0.211 16.449 -5.250 1.00 20.10 H new ATOM 0 HA LEU A 41 -1.123 18.031 -7.184 1.00 60.02 H new ATOM 0 HB2 LEU A 41 -1.765 17.072 -4.397 1.00 43.42 H new ATOM 0 HB3 LEU A 41 -2.836 18.192 -5.216 1.00 43.42 H new ATOM 0 HG LEU A 41 -3.657 15.988 -5.430 1.00 33.32 H new ATOM 0 HD11 LEU A 41 -3.871 15.742 -7.870 1.00 72.35 H new ATOM 0 HD12 LEU A 41 -4.111 17.411 -7.301 1.00 72.35 H new ATOM 0 HD13 LEU A 41 -2.580 16.949 -8.080 1.00 72.35 H new ATOM 0 HD21 LEU A 41 -2.550 14.170 -6.597 1.00 64.41 H new ATOM 0 HD22 LEU A 41 -1.055 15.134 -6.637 1.00 64.41 H new ATOM 0 HD23 LEU A 41 -1.756 14.644 -5.076 1.00 64.41 H new ATOM 605 N GLY A 42 0.196 19.511 -4.589 1.00 22.02 N ATOM 606 CA GLY A 42 0.606 20.748 -3.954 1.00 24.02 C ATOM 607 C GLY A 42 -0.227 20.936 -2.707 1.00 3.43 C ATOM 608 O GLY A 42 -1.010 21.885 -2.610 1.00 15.20 O ATOM 0 H GLY A 42 0.656 18.692 -4.191 1.00 22.02 H new ATOM 0 HA2 GLY A 42 1.666 20.713 -3.702 1.00 24.02 H new ATOM 0 HA3 GLY A 42 0.468 21.589 -4.634 1.00 24.02 H new ATOM 612 N LYS A 43 -0.125 19.971 -1.794 1.00 64.05 N ATOM 613 CA LYS A 43 -0.784 20.014 -0.502 1.00 32.14 C ATOM 614 C LYS A 43 0.273 20.252 0.560 1.00 53.24 C ATOM 615 O LYS A 43 1.448 19.931 0.377 1.00 64.24 O ATOM 616 CB LYS A 43 -1.531 18.701 -0.232 1.00 33.01 C ATOM 617 CG LYS A 43 -2.516 18.262 -1.320 1.00 60.44 C ATOM 618 CD LYS A 43 -3.560 19.329 -1.674 1.00 43.53 C ATOM 619 CE LYS A 43 -4.392 18.842 -2.858 1.00 60.45 C ATOM 620 NZ LYS A 43 -5.099 19.952 -3.522 1.00 1.31 N ATOM 0 H LYS A 43 0.428 19.126 -1.940 1.00 64.05 H new ATOM 0 HA LYS A 43 -1.518 20.819 -0.486 1.00 32.14 H new ATOM 0 HB2 LYS A 43 -0.796 17.908 -0.092 1.00 33.01 H new ATOM 0 HB3 LYS A 43 -2.076 18.801 0.707 1.00 33.01 H new ATOM 0 HG2 LYS A 43 -1.958 18.000 -2.219 1.00 60.44 H new ATOM 0 HG3 LYS A 43 -3.030 17.359 -0.990 1.00 60.44 H new ATOM 0 HD2 LYS A 43 -4.204 19.523 -0.817 1.00 43.53 H new ATOM 0 HD3 LYS A 43 -3.067 20.269 -1.922 1.00 43.53 H new ATOM 0 HE2 LYS A 43 -3.743 18.342 -3.577 1.00 60.45 H new ATOM 0 HE3 LYS A 43 -5.116 18.103 -2.514 1.00 60.45 H new ATOM 0 HZ1 LYS A 43 -5.653 19.582 -4.321 1.00 1.31 H new ATOM 0 HZ2 LYS A 43 -5.737 20.413 -2.842 1.00 1.31 H new ATOM 0 HZ3 LYS A 43 -4.407 20.645 -3.872 1.00 1.31 H new ATOM 630 N THR A 44 -0.177 20.779 1.681 1.00 55.32 N ATOM 631 CA THR A 44 0.571 21.198 2.852 1.00 15.34 C ATOM 632 C THR A 44 -0.362 21.042 4.053 1.00 43.11 C ATOM 633 O THR A 44 -1.390 20.367 3.953 1.00 2.13 O ATOM 634 CB THR A 44 1.066 22.646 2.647 1.00 12.11 C ATOM 635 OG1 THR A 44 0.254 23.414 1.772 1.00 43.45 O ATOM 636 CG2 THR A 44 2.446 22.650 2.014 1.00 20.21 C ATOM 0 H THR A 44 -1.176 20.941 1.808 1.00 55.32 H new ATOM 0 HA THR A 44 1.461 20.593 3.022 1.00 15.34 H new ATOM 0 HB THR A 44 1.048 23.083 3.645 1.00 12.11 H new ATOM 0 HG1 THR A 44 0.625 24.318 1.690 1.00 43.45 H new ATOM 0 HG21 THR A 44 2.780 23.678 1.876 1.00 20.21 H new ATOM 0 HG22 THR A 44 3.146 22.125 2.664 1.00 20.21 H new ATOM 0 HG23 THR A 44 2.404 22.150 1.047 1.00 20.21 H new ATOM 644 N GLY A 45 -0.017 21.651 5.186 1.00 60.41 N ATOM 645 CA GLY A 45 -0.948 21.838 6.272 1.00 14.53 C ATOM 646 C GLY A 45 -1.256 20.501 6.910 1.00 35.23 C ATOM 647 O GLY A 45 -0.361 19.881 7.499 1.00 41.11 O ATOM 0 H GLY A 45 0.915 22.024 5.366 1.00 60.41 H new ATOM 0 HA2 GLY A 45 -0.527 22.518 7.013 1.00 14.53 H new ATOM 0 HA3 GLY A 45 -1.865 22.297 5.903 1.00 14.53 H new ATOM 651 N ASP A 46 -2.497 20.060 6.751 1.00 75.02 N ATOM 652 CA ASP A 46 -2.976 18.718 7.048 1.00 3.52 C ATOM 653 C ASP A 46 -3.779 18.177 5.851 1.00 15.51 C ATOM 654 O ASP A 46 -4.339 17.082 5.923 1.00 34.24 O ATOM 655 CB ASP A 46 -3.783 18.729 8.354 1.00 52.21 C ATOM 656 CG ASP A 46 -2.882 18.760 9.591 1.00 21.21 C ATOM 657 OD1 ASP A 46 -2.302 19.831 9.894 1.00 21.32 O ATOM 658 OD2 ASP A 46 -2.778 17.724 10.295 1.00 14.23 O ATOM 0 H ASP A 46 -3.237 20.663 6.391 1.00 75.02 H new ATOM 0 HA ASP A 46 -2.135 18.042 7.201 1.00 3.52 H new ATOM 0 HB2 ASP A 46 -4.442 19.597 8.365 1.00 52.21 H new ATOM 0 HB3 ASP A 46 -4.420 17.845 8.393 1.00 52.21 H new ATOM 662 N ASP A 47 -3.811 18.905 4.730 1.00 64.21 N ATOM 663 CA ASP A 47 -4.369 18.479 3.446 1.00 4.40 C ATOM 664 C ASP A 47 -3.527 17.365 2.847 1.00 32.24 C ATOM 665 O ASP A 47 -4.048 16.478 2.171 1.00 24.13 O ATOM 666 CB ASP A 47 -4.325 19.626 2.424 1.00 52.34 C ATOM 667 CG ASP A 47 -5.520 20.552 2.504 1.00 33.14 C ATOM 668 OD1 ASP A 47 -5.469 21.522 3.286 1.00 15.40 O ATOM 669 OD2 ASP A 47 -6.508 20.338 1.763 1.00 22.31 O ATOM 0 H ASP A 47 -3.431 19.851 4.693 1.00 64.21 H new ATOM 0 HA ASP A 47 -5.392 18.156 3.639 1.00 4.40 H new ATOM 0 HB2 ASP A 47 -3.415 20.206 2.579 1.00 52.34 H new ATOM 0 HB3 ASP A 47 -4.268 19.206 1.420 1.00 52.34 H new ATOM 673 N ALA A 48 -2.208 17.433 3.052 1.00 21.11 N ATOM 674 CA ALA A 48 -1.281 16.481 2.469 1.00 24.14 C ATOM 675 C ALA A 48 -1.459 15.135 3.150 1.00 53.12 C ATOM 676 O ALA A 48 -1.468 14.087 2.508 1.00 22.11 O ATOM 677 CB ALA A 48 0.149 16.994 2.631 1.00 33.03 C ATOM 0 H ALA A 48 -1.763 18.149 3.625 1.00 21.11 H new ATOM 0 HA ALA A 48 -1.481 16.363 1.404 1.00 24.14 H new ATOM 0 HB1 ALA A 48 0.844 16.278 2.193 1.00 33.03 H new ATOM 0 HB2 ALA A 48 0.250 17.954 2.126 1.00 33.03 H new ATOM 0 HB3 ALA A 48 0.374 17.116 3.691 1.00 33.03 H new ATOM 683 N ARG A 49 -1.697 15.184 4.461 1.00 54.13 N ATOM 684 CA ARG A 49 -2.171 14.038 5.199 1.00 41.32 C ATOM 685 C ARG A 49 -3.492 13.593 4.617 1.00 24.40 C ATOM 686 O ARG A 49 -3.554 12.449 4.195 1.00 64.45 O ATOM 687 CB ARG A 49 -2.283 14.340 6.691 1.00 51.41 C ATOM 688 CG ARG A 49 -0.984 14.803 7.355 1.00 73.11 C ATOM 689 CD ARG A 49 -1.286 15.077 8.832 1.00 14.10 C ATOM 690 NE ARG A 49 -0.867 13.977 9.710 1.00 14.44 N ATOM 691 CZ ARG A 49 -0.773 14.085 11.038 1.00 62.13 C ATOM 692 NH1 ARG A 49 -1.246 15.163 11.660 1.00 0.34 N ATOM 693 NH2 ARG A 49 -0.190 13.109 11.722 1.00 63.54 N ATOM 0 H ARG A 49 -1.564 16.021 5.029 1.00 54.13 H new ATOM 0 HA ARG A 49 -1.450 13.226 5.105 1.00 41.32 H new ATOM 0 HB2 ARG A 49 -3.042 15.109 6.835 1.00 51.41 H new ATOM 0 HB3 ARG A 49 -2.636 13.445 7.202 1.00 51.41 H new ATOM 0 HG2 ARG A 49 -0.212 14.040 7.258 1.00 73.11 H new ATOM 0 HG3 ARG A 49 -0.606 15.702 6.869 1.00 73.11 H new ATOM 0 HD2 ARG A 49 -0.781 15.993 9.138 1.00 14.10 H new ATOM 0 HD3 ARG A 49 -2.356 15.247 8.954 1.00 14.10 H new ATOM 0 HE ARG A 49 -0.635 13.081 9.282 1.00 14.44 H new ATOM 0 HH11 ARG A 49 -1.683 15.912 11.122 1.00 0.34 H new ATOM 0 HH12 ARG A 49 -1.172 15.240 12.674 1.00 0.34 H new ATOM 0 HH21 ARG A 49 0.178 12.293 11.233 1.00 63.54 H new ATOM 0 HH22 ARG A 49 -0.110 13.175 12.737 1.00 63.54 H new ATOM 704 N ALA A 50 -4.516 14.448 4.550 1.00 1.50 N ATOM 705 CA ALA A 50 -5.862 14.045 4.149 1.00 44.32 C ATOM 706 C ALA A 50 -5.880 13.321 2.796 1.00 31.41 C ATOM 707 O ALA A 50 -6.643 12.371 2.618 1.00 52.51 O ATOM 708 CB ALA A 50 -6.781 15.272 4.113 1.00 33.42 C ATOM 0 H ALA A 50 -4.433 15.440 4.773 1.00 1.50 H new ATOM 0 HA ALA A 50 -6.227 13.334 4.891 1.00 44.32 H new ATOM 0 HB1 ALA A 50 -7.784 14.967 3.813 1.00 33.42 H new ATOM 0 HB2 ALA A 50 -6.820 15.726 5.103 1.00 33.42 H new ATOM 0 HB3 ALA A 50 -6.393 15.996 3.397 1.00 33.42 H new ATOM 714 N TYR A 51 -5.015 13.726 1.863 1.00 52.13 N ATOM 715 CA TYR A 51 -4.821 13.077 0.575 1.00 60.33 C ATOM 716 C TYR A 51 -4.422 11.591 0.716 1.00 12.11 C ATOM 717 O TYR A 51 -4.778 10.772 -0.135 1.00 62.01 O ATOM 718 CB TYR A 51 -3.777 13.890 -0.210 1.00 15.22 C ATOM 719 CG TYR A 51 -3.511 13.368 -1.604 1.00 23.42 C ATOM 720 CD1 TYR A 51 -2.715 12.220 -1.756 1.00 3.34 C ATOM 721 CD2 TYR A 51 -4.135 13.945 -2.728 1.00 31.22 C ATOM 722 CE1 TYR A 51 -2.647 11.574 -2.996 1.00 3.13 C ATOM 723 CE2 TYR A 51 -4.039 13.318 -3.984 1.00 73.32 C ATOM 724 CZ TYR A 51 -3.317 12.110 -4.117 1.00 63.44 C ATOM 725 OH TYR A 51 -3.329 11.429 -5.296 1.00 33.33 O ATOM 0 H TYR A 51 -4.414 14.540 1.992 1.00 52.13 H new ATOM 0 HA TYR A 51 -5.764 13.062 0.028 1.00 60.33 H new ATOM 0 HB2 TYR A 51 -4.114 14.924 -0.279 1.00 15.22 H new ATOM 0 HB3 TYR A 51 -2.841 13.896 0.349 1.00 15.22 H new ATOM 0 HD1 TYR A 51 -2.155 11.836 -0.916 1.00 3.34 H new ATOM 0 HD2 TYR A 51 -4.687 14.868 -2.625 1.00 31.22 H new ATOM 0 HE1 TYR A 51 -2.079 10.661 -3.096 1.00 3.13 H new ATOM 0 HE2 TYR A 51 -4.517 13.760 -4.846 1.00 73.32 H new ATOM 0 HH TYR A 51 -4.256 11.279 -5.578 1.00 33.33 H new ATOM 734 N ALA A 52 -3.688 11.222 1.767 1.00 31.11 N ATOM 735 CA ALA A 52 -3.278 9.863 2.118 1.00 13.12 C ATOM 736 C ALA A 52 -4.352 9.076 2.886 1.00 42.52 C ATOM 737 O ALA A 52 -4.285 7.847 2.961 1.00 15.23 O ATOM 738 CB ALA A 52 -2.045 9.954 3.026 1.00 44.44 C ATOM 0 H ALA A 52 -3.343 11.908 2.438 1.00 31.11 H new ATOM 0 HA ALA A 52 -3.085 9.339 1.182 1.00 13.12 H new ATOM 0 HB1 ALA A 52 -1.721 8.950 3.301 1.00 44.44 H new ATOM 0 HB2 ALA A 52 -1.240 10.463 2.496 1.00 44.44 H new ATOM 0 HB3 ALA A 52 -2.297 10.513 3.927 1.00 44.44 H new ATOM 744 N LEU A 53 -5.303 9.751 3.541 1.00 35.11 N ATOM 745 CA LEU A 53 -6.295 9.106 4.426 1.00 32.32 C ATOM 746 C LEU A 53 -7.628 8.827 3.725 1.00 75.02 C ATOM 747 O LEU A 53 -8.615 8.531 4.398 1.00 0.34 O ATOM 748 CB LEU A 53 -6.532 9.902 5.738 1.00 53.35 C ATOM 749 CG LEU A 53 -5.406 10.803 6.271 1.00 4.51 C ATOM 750 CD1 LEU A 53 -5.883 11.647 7.455 1.00 33.03 C ATOM 751 CD2 LEU A 53 -4.114 10.110 6.689 1.00 52.22 C ATOM 0 H LEU A 53 -5.412 10.763 3.476 1.00 35.11 H new ATOM 0 HA LEU A 53 -5.854 8.145 4.691 1.00 32.32 H new ATOM 0 HB2 LEU A 53 -7.413 10.527 5.590 1.00 53.35 H new ATOM 0 HB3 LEU A 53 -6.778 9.184 6.520 1.00 53.35 H new ATOM 0 HG LEU A 53 -5.162 11.411 5.400 1.00 4.51 H new ATOM 0 HD11 LEU A 53 -5.064 12.273 7.809 1.00 33.03 H new ATOM 0 HD12 LEU A 53 -6.713 12.279 7.140 1.00 33.03 H new ATOM 0 HD13 LEU A 53 -6.212 10.991 8.261 1.00 33.03 H new ATOM 0 HD21 LEU A 53 -3.401 10.854 7.046 1.00 52.22 H new ATOM 0 HD22 LEU A 53 -4.325 9.397 7.486 1.00 52.22 H new ATOM 0 HD23 LEU A 53 -3.691 9.583 5.834 1.00 52.22 H new ATOM 762 N THR A 54 -7.685 8.889 2.396 1.00 53.12 N ATOM 763 CA THR A 54 -8.929 8.765 1.643 1.00 23.22 C ATOM 764 C THR A 54 -8.976 7.404 0.945 1.00 34.11 C ATOM 765 O THR A 54 -9.926 6.644 1.104 1.00 4.43 O ATOM 766 CB THR A 54 -9.072 10.012 0.750 1.00 22.31 C ATOM 767 OG1 THR A 54 -10.322 10.081 0.107 1.00 32.30 O ATOM 768 CG2 THR A 54 -7.996 10.160 -0.322 1.00 75.43 C ATOM 0 H THR A 54 -6.863 9.028 1.808 1.00 53.12 H new ATOM 0 HA THR A 54 -9.816 8.759 2.276 1.00 23.22 H new ATOM 0 HB THR A 54 -8.961 10.829 1.463 1.00 22.31 H new ATOM 0 HG1 THR A 54 -10.362 10.890 -0.445 1.00 32.30 H new ATOM 0 HG21 THR A 54 -8.180 11.066 -0.900 1.00 75.43 H new ATOM 0 HG22 THR A 54 -7.017 10.225 0.152 1.00 75.43 H new ATOM 0 HG23 THR A 54 -8.022 9.295 -0.985 1.00 75.43 H new ATOM 776 N VAL A 55 -7.898 7.029 0.259 1.00 64.02 N ATOM 777 CA VAL A 55 -7.782 5.856 -0.602 1.00 31.02 C ATOM 778 C VAL A 55 -7.861 4.488 0.103 1.00 2.30 C ATOM 779 O VAL A 55 -7.649 3.460 -0.545 1.00 21.42 O ATOM 780 CB VAL A 55 -6.470 5.987 -1.397 1.00 75.41 C ATOM 781 CG1 VAL A 55 -6.548 7.109 -2.439 1.00 52.23 C ATOM 782 CG2 VAL A 55 -5.248 6.194 -0.492 1.00 32.32 C ATOM 0 H VAL A 55 -7.033 7.568 0.292 1.00 64.02 H new ATOM 0 HA VAL A 55 -8.660 5.855 -1.248 1.00 31.02 H new ATOM 0 HB VAL A 55 -6.340 5.037 -1.915 1.00 75.41 H new ATOM 0 HG11 VAL A 55 -5.603 7.170 -2.979 1.00 52.23 H new ATOM 0 HG12 VAL A 55 -7.355 6.898 -3.141 1.00 52.23 H new ATOM 0 HG13 VAL A 55 -6.742 8.058 -1.938 1.00 52.23 H new ATOM 0 HG21 VAL A 55 -4.351 6.280 -1.106 1.00 32.32 H new ATOM 0 HG22 VAL A 55 -5.377 7.106 0.091 1.00 32.32 H new ATOM 0 HG23 VAL A 55 -5.146 5.344 0.182 1.00 32.32 H new ATOM 792 N VAL A 56 -8.126 4.425 1.408 1.00 75.11 N ATOM 793 CA VAL A 56 -7.923 3.241 2.236 1.00 40.31 C ATOM 794 C VAL A 56 -9.218 2.945 3.008 1.00 11.21 C ATOM 795 O VAL A 56 -9.359 3.270 4.189 1.00 4.40 O ATOM 796 CB VAL A 56 -6.646 3.418 3.073 1.00 20.44 C ATOM 797 CG1 VAL A 56 -6.508 4.758 3.817 1.00 34.13 C ATOM 798 CG2 VAL A 56 -6.389 2.236 4.025 1.00 44.53 C ATOM 0 H VAL A 56 -8.498 5.218 1.930 1.00 75.11 H new ATOM 0 HA VAL A 56 -7.738 2.342 1.649 1.00 40.31 H new ATOM 0 HB VAL A 56 -5.864 3.435 2.314 1.00 20.44 H new ATOM 0 HG11 VAL A 56 -5.571 4.770 4.373 1.00 34.13 H new ATOM 0 HG12 VAL A 56 -6.514 5.576 3.097 1.00 34.13 H new ATOM 0 HG13 VAL A 56 -7.342 4.878 4.509 1.00 34.13 H new ATOM 0 HG21 VAL A 56 -5.474 2.416 4.590 1.00 44.53 H new ATOM 0 HG22 VAL A 56 -7.227 2.135 4.714 1.00 44.53 H new ATOM 0 HG23 VAL A 56 -6.283 1.319 3.446 1.00 44.53 H new ATOM 808 N THR A 57 -10.197 2.360 2.325 1.00 32.21 N ATOM 809 CA THR A 57 -11.507 2.050 2.892 1.00 72.23 C ATOM 810 C THR A 57 -12.113 0.886 2.109 1.00 71.02 C ATOM 811 O THR A 57 -12.484 -0.127 2.707 1.00 44.13 O ATOM 812 CB THR A 57 -12.382 3.331 2.923 1.00 75.44 C ATOM 813 OG1 THR A 57 -13.735 3.065 3.238 1.00 2.33 O ATOM 814 CG2 THR A 57 -12.409 4.134 1.616 1.00 60.13 C ATOM 0 H THR A 57 -10.102 2.084 1.348 1.00 32.21 H new ATOM 0 HA THR A 57 -11.432 1.725 3.930 1.00 72.23 H new ATOM 0 HB THR A 57 -11.891 3.918 3.700 1.00 75.44 H new ATOM 0 HG1 THR A 57 -14.240 3.905 3.246 1.00 2.33 H new ATOM 0 HG21 THR A 57 -13.047 5.009 1.740 1.00 60.13 H new ATOM 0 HG22 THR A 57 -11.398 4.455 1.365 1.00 60.13 H new ATOM 0 HG23 THR A 57 -12.801 3.510 0.813 1.00 60.13 H new ATOM 822 N SER A 58 -12.117 0.992 0.781 1.00 44.43 N ATOM 823 CA SER A 58 -12.890 0.137 -0.111 1.00 41.11 C ATOM 824 C SER A 58 -11.970 -0.605 -1.079 1.00 22.10 C ATOM 825 O SER A 58 -12.109 -0.479 -2.294 1.00 22.31 O ATOM 826 CB SER A 58 -13.923 0.982 -0.864 1.00 22.03 C ATOM 827 OG SER A 58 -14.849 1.609 0.004 1.00 31.32 O ATOM 0 H SER A 58 -11.568 1.694 0.285 1.00 44.43 H new ATOM 0 HA SER A 58 -13.417 -0.613 0.479 1.00 41.11 H new ATOM 0 HB2 SER A 58 -13.407 1.743 -1.450 1.00 22.03 H new ATOM 0 HB3 SER A 58 -14.462 0.348 -1.568 1.00 22.03 H new ATOM 0 HG SER A 58 -15.485 2.137 -0.522 1.00 31.32 H new ATOM 832 N ASP A 59 -11.027 -1.384 -0.554 1.00 54.22 N ATOM 833 CA ASP A 59 -10.259 -2.370 -1.300 1.00 33.11 C ATOM 834 C ASP A 59 -10.000 -3.512 -0.323 1.00 63.01 C ATOM 835 O ASP A 59 -9.902 -3.264 0.882 1.00 1.20 O ATOM 836 CB ASP A 59 -8.935 -1.773 -1.780 1.00 54.32 C ATOM 837 CG ASP A 59 -9.106 -0.779 -2.922 1.00 40.25 C ATOM 838 OD1 ASP A 59 -9.370 -1.184 -4.076 1.00 32.41 O ATOM 839 OD2 ASP A 59 -8.901 0.431 -2.664 1.00 75.42 O ATOM 0 H ASP A 59 -10.771 -1.343 0.432 1.00 54.22 H new ATOM 0 HA ASP A 59 -10.796 -2.707 -2.187 1.00 33.11 H new ATOM 0 HB2 ASP A 59 -8.443 -1.275 -0.944 1.00 54.32 H new ATOM 0 HB3 ASP A 59 -8.276 -2.579 -2.103 1.00 54.32 H new ATOM 843 N PHE A 60 -9.934 -4.755 -0.804 1.00 22.23 N ATOM 844 CA PHE A 60 -9.937 -5.936 0.066 1.00 4.33 C ATOM 845 C PHE A 60 -9.149 -7.123 -0.505 1.00 72.32 C ATOM 846 O PHE A 60 -8.812 -8.050 0.235 1.00 40.33 O ATOM 847 CB PHE A 60 -11.409 -6.343 0.312 1.00 15.34 C ATOM 848 CG PHE A 60 -11.758 -6.742 1.734 1.00 23.41 C ATOM 849 CD1 PHE A 60 -11.440 -5.890 2.810 1.00 31.00 C ATOM 850 CD2 PHE A 60 -12.447 -7.945 1.982 1.00 64.32 C ATOM 851 CE1 PHE A 60 -11.763 -6.262 4.126 1.00 35.24 C ATOM 852 CE2 PHE A 60 -12.786 -8.308 3.296 1.00 11.52 C ATOM 853 CZ PHE A 60 -12.435 -7.472 4.372 1.00 51.33 C ATOM 0 H PHE A 60 -9.877 -4.972 -1.799 1.00 22.23 H new ATOM 0 HA PHE A 60 -9.434 -5.669 0.996 1.00 4.33 H new ATOM 0 HB2 PHE A 60 -12.049 -5.510 0.021 1.00 15.34 H new ATOM 0 HB3 PHE A 60 -11.650 -7.176 -0.348 1.00 15.34 H new ATOM 0 HD1 PHE A 60 -10.946 -4.948 2.623 1.00 31.00 H new ATOM 0 HD2 PHE A 60 -12.716 -8.591 1.159 1.00 64.32 H new ATOM 0 HE1 PHE A 60 -11.495 -5.617 4.950 1.00 35.24 H new ATOM 0 HE2 PHE A 60 -13.317 -9.230 3.481 1.00 11.52 H new ATOM 0 HZ PHE A 60 -12.681 -7.759 5.384 1.00 51.33 H new ATOM 862 N ASP A 61 -8.856 -7.137 -1.804 1.00 40.41 N ATOM 863 CA ASP A 61 -8.363 -8.293 -2.547 1.00 24.02 C ATOM 864 C ASP A 61 -7.880 -7.813 -3.907 1.00 31.42 C ATOM 865 O ASP A 61 -8.509 -6.921 -4.471 1.00 62.42 O ATOM 866 CB ASP A 61 -9.487 -9.320 -2.754 1.00 61.23 C ATOM 867 CG ASP A 61 -10.721 -8.782 -3.491 1.00 44.45 C ATOM 868 OD1 ASP A 61 -11.501 -8.013 -2.875 1.00 11.14 O ATOM 869 OD2 ASP A 61 -10.973 -9.213 -4.635 1.00 44.55 O ATOM 0 H ASP A 61 -8.960 -6.309 -2.391 1.00 40.41 H new ATOM 0 HA ASP A 61 -7.555 -8.765 -1.988 1.00 24.02 H new ATOM 0 HB2 ASP A 61 -9.088 -10.167 -3.312 1.00 61.23 H new ATOM 0 HB3 ASP A 61 -9.799 -9.698 -1.780 1.00 61.23 H new ATOM 873 N GLU A 62 -6.805 -8.396 -4.451 1.00 11.12 N ATOM 874 CA GLU A 62 -6.185 -7.948 -5.700 1.00 34.42 C ATOM 875 C GLU A 62 -6.255 -9.029 -6.798 1.00 51.41 C ATOM 876 O GLU A 62 -5.238 -9.639 -7.143 1.00 23.14 O ATOM 877 CB GLU A 62 -4.766 -7.396 -5.451 1.00 62.25 C ATOM 878 CG GLU A 62 -3.802 -8.311 -4.671 1.00 31.31 C ATOM 879 CD GLU A 62 -2.323 -7.951 -4.887 1.00 52.13 C ATOM 880 OE1 GLU A 62 -1.948 -6.770 -5.090 1.00 42.35 O ATOM 881 OE2 GLU A 62 -1.451 -8.845 -4.828 1.00 62.32 O ATOM 0 H GLU A 62 -6.338 -9.200 -4.031 1.00 11.12 H new ATOM 0 HA GLU A 62 -6.766 -7.112 -6.089 1.00 34.42 H new ATOM 0 HB2 GLU A 62 -4.314 -7.167 -6.416 1.00 62.25 H new ATOM 0 HB3 GLU A 62 -4.856 -6.454 -4.910 1.00 62.25 H new ATOM 0 HG2 GLU A 62 -4.033 -8.250 -3.608 1.00 31.31 H new ATOM 0 HG3 GLU A 62 -3.966 -9.345 -4.974 1.00 31.31 H new ATOM 886 N PRO A 63 -7.435 -9.271 -7.399 1.00 62.12 N ATOM 887 CA PRO A 63 -7.575 -10.154 -8.553 1.00 21.24 C ATOM 888 C PRO A 63 -6.839 -9.638 -9.800 1.00 41.54 C ATOM 889 O PRO A 63 -6.485 -10.439 -10.676 1.00 62.31 O ATOM 890 CB PRO A 63 -9.088 -10.294 -8.767 1.00 51.12 C ATOM 891 CG PRO A 63 -9.681 -9.035 -8.150 1.00 21.30 C ATOM 892 CD PRO A 63 -8.737 -8.774 -6.987 1.00 14.41 C ATOM 0 HA PRO A 63 -7.107 -11.121 -8.371 1.00 21.24 H new ATOM 0 HB2 PRO A 63 -9.333 -10.370 -9.826 1.00 51.12 H new ATOM 0 HB3 PRO A 63 -9.475 -11.192 -8.285 1.00 51.12 H new ATOM 0 HG2 PRO A 63 -9.698 -8.204 -8.856 1.00 21.30 H new ATOM 0 HG3 PRO A 63 -10.707 -9.189 -7.815 1.00 21.30 H new ATOM 0 HD2 PRO A 63 -8.691 -7.710 -6.755 1.00 14.41 H new ATOM 0 HD3 PRO A 63 -9.080 -9.283 -6.086 1.00 14.41 H new ATOM 897 N GLY A 64 -6.588 -8.332 -9.877 1.00 72.21 N ATOM 898 CA GLY A 64 -5.869 -7.661 -10.949 1.00 33.40 C ATOM 899 C GLY A 64 -6.347 -6.219 -11.031 1.00 74.21 C ATOM 900 O GLY A 64 -6.322 -5.507 -10.021 1.00 61.22 O ATOM 0 H GLY A 64 -6.899 -7.683 -9.154 1.00 72.21 H new ATOM 0 HA2 GLY A 64 -4.796 -7.693 -10.762 1.00 33.40 H new ATOM 0 HA3 GLY A 64 -6.042 -8.171 -11.897 1.00 33.40 H new ATOM 904 N ASP A 65 -6.850 -5.826 -12.199 1.00 41.42 N ATOM 905 CA ASP A 65 -7.469 -4.551 -12.557 1.00 62.33 C ATOM 906 C ASP A 65 -6.494 -3.373 -12.533 1.00 61.44 C ATOM 907 O ASP A 65 -6.274 -2.759 -13.577 1.00 73.14 O ATOM 908 CB ASP A 65 -8.744 -4.307 -11.742 1.00 72.12 C ATOM 909 CG ASP A 65 -9.692 -3.340 -12.444 1.00 50.12 C ATOM 910 OD1 ASP A 65 -10.081 -3.608 -13.608 1.00 4.13 O ATOM 911 OD2 ASP A 65 -10.177 -2.399 -11.790 1.00 71.21 O ATOM 0 H ASP A 65 -6.832 -6.457 -13.000 1.00 41.42 H new ATOM 0 HA ASP A 65 -7.771 -4.626 -13.602 1.00 62.33 H new ATOM 0 HB2 ASP A 65 -9.253 -5.256 -11.572 1.00 72.12 H new ATOM 0 HB3 ASP A 65 -8.478 -3.908 -10.763 1.00 72.12 H new ATOM 915 N GLU A 66 -5.842 -3.118 -11.397 1.00 41.13 N ATOM 916 CA GLU A 66 -4.851 -2.064 -11.162 1.00 33.11 C ATOM 917 C GLU A 66 -5.328 -0.676 -11.622 1.00 4.21 C ATOM 918 O GLU A 66 -4.549 0.185 -12.033 1.00 2.44 O ATOM 919 CB GLU A 66 -3.467 -2.447 -11.715 1.00 53.41 C ATOM 920 CG GLU A 66 -2.822 -3.595 -10.921 1.00 12.22 C ATOM 921 CD GLU A 66 -1.357 -3.829 -11.309 1.00 4.10 C ATOM 922 OE1 GLU A 66 -0.624 -2.854 -11.598 1.00 24.14 O ATOM 923 OE2 GLU A 66 -0.910 -4.998 -11.303 1.00 64.23 O ATOM 0 H GLU A 66 -6.002 -3.679 -10.561 1.00 41.13 H new ATOM 0 HA GLU A 66 -4.736 -1.977 -10.082 1.00 33.11 H new ATOM 0 HB2 GLU A 66 -3.564 -2.740 -12.760 1.00 53.41 H new ATOM 0 HB3 GLU A 66 -2.813 -1.576 -11.687 1.00 53.41 H new ATOM 0 HG2 GLU A 66 -2.881 -3.373 -9.855 1.00 12.22 H new ATOM 0 HG3 GLU A 66 -3.389 -4.511 -11.088 1.00 12.22 H new ATOM 928 N ASP A 67 -6.616 -0.392 -11.442 1.00 73.42 N ATOM 929 CA ASP A 67 -7.228 0.884 -11.831 1.00 75.21 C ATOM 930 C ASP A 67 -6.789 2.009 -10.898 1.00 55.31 C ATOM 931 O ASP A 67 -6.929 3.186 -11.207 1.00 63.32 O ATOM 932 CB ASP A 67 -8.744 0.717 -11.843 1.00 60.04 C ATOM 933 CG ASP A 67 -9.430 1.566 -12.914 1.00 43.43 C ATOM 934 OD1 ASP A 67 -8.886 1.685 -14.037 1.00 12.31 O ATOM 935 OD2 ASP A 67 -10.548 2.064 -12.656 1.00 64.21 O ATOM 0 H ASP A 67 -7.274 -1.046 -11.018 1.00 73.42 H new ATOM 0 HA ASP A 67 -6.895 1.162 -12.831 1.00 75.21 H new ATOM 0 HB2 ASP A 67 -8.987 -0.333 -12.008 1.00 60.04 H new ATOM 0 HB3 ASP A 67 -9.141 0.986 -10.864 1.00 60.04 H new ATOM 939 N VAL A 68 -6.134 1.636 -9.801 1.00 31.12 N ATOM 940 CA VAL A 68 -5.301 2.465 -8.951 1.00 20.14 C ATOM 941 C VAL A 68 -4.327 3.320 -9.779 1.00 41.52 C ATOM 942 O VAL A 68 -4.157 4.505 -9.498 1.00 64.14 O ATOM 943 CB VAL A 68 -4.610 1.508 -7.960 1.00 54.51 C ATOM 944 CG1 VAL A 68 -3.604 0.551 -8.620 1.00 44.22 C ATOM 945 CG2 VAL A 68 -3.920 2.255 -6.815 1.00 1.50 C ATOM 0 H VAL A 68 -6.179 0.675 -9.463 1.00 31.12 H new ATOM 0 HA VAL A 68 -5.886 3.199 -8.396 1.00 20.14 H new ATOM 0 HB VAL A 68 -5.424 0.905 -7.558 1.00 54.51 H new ATOM 0 HG11 VAL A 68 -3.159 -0.091 -7.859 1.00 44.22 H new ATOM 0 HG12 VAL A 68 -4.118 -0.064 -9.358 1.00 44.22 H new ATOM 0 HG13 VAL A 68 -2.821 1.128 -9.111 1.00 44.22 H new ATOM 0 HG21 VAL A 68 -3.448 1.537 -6.144 1.00 1.50 H new ATOM 0 HG22 VAL A 68 -3.162 2.924 -7.222 1.00 1.50 H new ATOM 0 HG23 VAL A 68 -4.658 2.836 -6.263 1.00 1.50 H new ATOM 955 N PHE A 69 -3.711 2.760 -10.825 1.00 63.35 N ATOM 956 CA PHE A 69 -2.817 3.488 -11.714 1.00 64.45 C ATOM 957 C PHE A 69 -3.626 4.528 -12.499 1.00 3.42 C ATOM 958 O PHE A 69 -3.229 5.688 -12.584 1.00 21.03 O ATOM 959 CB PHE A 69 -2.067 2.475 -12.600 1.00 4.20 C ATOM 960 CG PHE A 69 -1.307 3.056 -13.776 1.00 72.33 C ATOM 961 CD1 PHE A 69 0.020 3.525 -13.645 1.00 12.20 C ATOM 962 CD2 PHE A 69 -1.948 3.116 -15.032 1.00 14.44 C ATOM 963 CE1 PHE A 69 0.666 4.091 -14.754 1.00 44.54 C ATOM 964 CE2 PHE A 69 -1.287 3.660 -16.142 1.00 23.32 C ATOM 965 CZ PHE A 69 0.018 4.158 -16.002 1.00 14.40 C ATOM 0 H PHE A 69 -3.824 1.778 -11.076 1.00 63.35 H new ATOM 0 HA PHE A 69 -2.059 4.043 -11.162 1.00 64.45 H new ATOM 0 HB2 PHE A 69 -1.364 1.926 -11.974 1.00 4.20 H new ATOM 0 HB3 PHE A 69 -2.788 1.751 -12.980 1.00 4.20 H new ATOM 0 HD1 PHE A 69 0.533 3.448 -12.698 1.00 12.20 H new ATOM 0 HD2 PHE A 69 -2.955 2.740 -15.139 1.00 14.44 H new ATOM 0 HE1 PHE A 69 1.669 4.479 -14.650 1.00 44.54 H new ATOM 0 HE2 PHE A 69 -1.780 3.696 -17.102 1.00 23.32 H new ATOM 0 HZ PHE A 69 0.525 4.592 -16.851 1.00 14.40 H new ATOM 974 N ARG A 70 -4.796 4.167 -13.023 1.00 51.32 N ATOM 975 CA ARG A 70 -5.712 5.111 -13.668 1.00 32.30 C ATOM 976 C ARG A 70 -6.223 6.185 -12.703 1.00 2.41 C ATOM 977 O ARG A 70 -6.519 7.298 -13.140 1.00 41.32 O ATOM 978 CB ARG A 70 -6.862 4.302 -14.291 1.00 33.11 C ATOM 979 CG ARG A 70 -6.510 3.775 -15.689 1.00 42.13 C ATOM 980 CD ARG A 70 -7.216 4.541 -16.808 1.00 63.45 C ATOM 981 NE ARG A 70 -6.870 5.976 -16.874 1.00 54.33 N ATOM 982 CZ ARG A 70 -7.238 6.780 -17.881 1.00 1.30 C ATOM 983 NH1 ARG A 70 -7.870 6.274 -18.933 1.00 41.43 N ATOM 984 NH2 ARG A 70 -6.988 8.084 -17.851 1.00 35.43 N ATOM 0 H ARG A 70 -5.139 3.206 -13.013 1.00 51.32 H new ATOM 0 HA ARG A 70 -5.179 5.659 -14.445 1.00 32.30 H new ATOM 0 HB2 ARG A 70 -7.108 3.463 -13.640 1.00 33.11 H new ATOM 0 HB3 ARG A 70 -7.752 4.928 -14.354 1.00 33.11 H new ATOM 0 HG2 ARG A 70 -5.432 3.840 -15.835 1.00 42.13 H new ATOM 0 HG3 ARG A 70 -6.778 2.720 -15.752 1.00 42.13 H new ATOM 0 HD2 ARG A 70 -6.970 4.076 -17.762 1.00 63.45 H new ATOM 0 HD3 ARG A 70 -8.294 4.445 -16.675 1.00 63.45 H new ATOM 0 HE ARG A 70 -6.322 6.376 -16.112 1.00 54.33 H new ATOM 0 HH11 ARG A 70 -8.074 5.276 -18.973 1.00 41.43 H new ATOM 0 HH12 ARG A 70 -8.151 6.884 -19.701 1.00 41.43 H new ATOM 0 HH21 ARG A 70 -6.507 8.493 -17.050 1.00 35.43 H new ATOM 0 HH22 ARG A 70 -7.277 8.677 -18.629 1.00 35.43 H new ATOM 995 N LYS A 71 -6.319 5.886 -11.407 1.00 3.13 N ATOM 996 CA LYS A 71 -6.675 6.832 -10.357 1.00 63.01 C ATOM 997 C LYS A 71 -5.528 7.820 -10.168 1.00 2.51 C ATOM 998 O LYS A 71 -5.739 9.025 -10.315 1.00 35.20 O ATOM 999 CB LYS A 71 -7.013 6.084 -9.050 1.00 71.01 C ATOM 1000 CG LYS A 71 -8.319 6.555 -8.390 1.00 53.21 C ATOM 1001 CD LYS A 71 -9.561 5.863 -8.977 1.00 0.43 C ATOM 1002 CE LYS A 71 -10.721 5.947 -7.976 1.00 52.51 C ATOM 1003 NZ LYS A 71 -11.824 5.034 -8.337 1.00 0.21 N ATOM 0 H LYS A 71 -6.145 4.946 -11.051 1.00 3.13 H new ATOM 0 HA LYS A 71 -7.566 7.390 -10.644 1.00 63.01 H new ATOM 0 HB2 LYS A 71 -7.087 5.017 -9.261 1.00 71.01 H new ATOM 0 HB3 LYS A 71 -6.192 6.214 -8.345 1.00 71.01 H new ATOM 0 HG2 LYS A 71 -8.271 6.360 -7.319 1.00 53.21 H new ATOM 0 HG3 LYS A 71 -8.416 7.634 -8.514 1.00 53.21 H new ATOM 0 HD2 LYS A 71 -9.844 6.338 -9.917 1.00 0.43 H new ATOM 0 HD3 LYS A 71 -9.336 4.820 -9.201 1.00 0.43 H new ATOM 0 HE2 LYS A 71 -10.358 5.702 -6.978 1.00 52.51 H new ATOM 0 HE3 LYS A 71 -11.094 6.970 -7.937 1.00 52.51 H new ATOM 0 HZ1 LYS A 71 -12.589 5.120 -7.637 1.00 0.21 H new ATOM 0 HZ2 LYS A 71 -12.187 5.284 -9.279 1.00 0.21 H new ATOM 0 HZ3 LYS A 71 -11.474 4.055 -8.349 1.00 0.21 H new ATOM 1013 N LEU A 72 -4.331 7.333 -9.823 1.00 52.24 N ATOM 1014 CA LEU A 72 -3.179 8.167 -9.486 1.00 63.03 C ATOM 1015 C LEU A 72 -2.771 9.018 -10.690 1.00 52.13 C ATOM 1016 O LEU A 72 -2.455 10.191 -10.505 1.00 61.34 O ATOM 1017 CB LEU A 72 -1.991 7.312 -8.990 1.00 2.43 C ATOM 1018 CG LEU A 72 -2.157 6.631 -7.609 1.00 44.13 C ATOM 1019 CD1 LEU A 72 -1.397 5.298 -7.572 1.00 42.52 C ATOM 1020 CD2 LEU A 72 -1.629 7.495 -6.454 1.00 71.01 C ATOM 0 H LEU A 72 -4.136 6.333 -9.770 1.00 52.24 H new ATOM 0 HA LEU A 72 -3.468 8.831 -8.671 1.00 63.03 H new ATOM 0 HB2 LEU A 72 -1.796 6.537 -9.731 1.00 2.43 H new ATOM 0 HB3 LEU A 72 -1.106 7.947 -8.953 1.00 2.43 H new ATOM 0 HG LEU A 72 -3.228 6.480 -7.478 1.00 44.13 H new ATOM 0 HD11 LEU A 72 -1.525 4.833 -6.594 1.00 42.52 H new ATOM 0 HD12 LEU A 72 -1.789 4.634 -8.343 1.00 42.52 H new ATOM 0 HD13 LEU A 72 -0.337 5.478 -7.752 1.00 42.52 H new ATOM 0 HD21 LEU A 72 -1.771 6.968 -5.511 1.00 71.01 H new ATOM 0 HD22 LEU A 72 -0.567 7.692 -6.603 1.00 71.01 H new ATOM 0 HD23 LEU A 72 -2.173 8.439 -6.428 1.00 71.01 H new ATOM 1031 N ALA A 73 -2.844 8.477 -11.916 1.00 1.44 N ATOM 1032 CA ALA A 73 -2.560 9.218 -13.146 1.00 3.42 C ATOM 1033 C ALA A 73 -3.482 10.423 -13.271 1.00 0.31 C ATOM 1034 O ALA A 73 -3.018 11.535 -13.491 1.00 32.21 O ATOM 1035 CB ALA A 73 -2.723 8.332 -14.388 1.00 14.54 C ATOM 0 H ALA A 73 -3.104 7.504 -12.078 1.00 1.44 H new ATOM 0 HA ALA A 73 -1.524 9.552 -13.087 1.00 3.42 H new ATOM 0 HB1 ALA A 73 -2.504 8.915 -15.282 1.00 14.54 H new ATOM 0 HB2 ALA A 73 -2.034 7.489 -14.327 1.00 14.54 H new ATOM 0 HB3 ALA A 73 -3.747 7.961 -14.438 1.00 14.54 H new ATOM 1041 N ALA A 74 -4.789 10.205 -13.097 1.00 63.23 N ATOM 1042 CA ALA A 74 -5.771 11.272 -13.223 1.00 31.04 C ATOM 1043 C ALA A 74 -5.614 12.344 -12.134 1.00 22.12 C ATOM 1044 O ALA A 74 -6.162 13.439 -12.275 1.00 33.44 O ATOM 1045 CB ALA A 74 -7.175 10.668 -13.167 1.00 32.24 C ATOM 0 H ALA A 74 -5.187 9.294 -12.868 1.00 63.23 H new ATOM 0 HA ALA A 74 -5.609 11.767 -14.180 1.00 31.04 H new ATOM 0 HB1 ALA A 74 -7.916 11.461 -13.261 1.00 32.24 H new ATOM 0 HB2 ALA A 74 -7.298 9.958 -13.984 1.00 32.24 H new ATOM 0 HB3 ALA A 74 -7.312 10.154 -12.216 1.00 32.24 H new ATOM 1051 N ASP A 75 -4.943 12.046 -11.021 1.00 54.33 N ATOM 1052 CA ASP A 75 -4.593 13.026 -9.992 1.00 4.21 C ATOM 1053 C ASP A 75 -3.382 13.854 -10.445 1.00 11.54 C ATOM 1054 O ASP A 75 -3.318 15.046 -10.160 1.00 34.20 O ATOM 1055 CB ASP A 75 -4.272 12.322 -8.657 1.00 61.05 C ATOM 1056 CG ASP A 75 -5.208 12.657 -7.494 1.00 33.41 C ATOM 1057 OD1 ASP A 75 -5.523 13.836 -7.247 1.00 40.51 O ATOM 1058 OD2 ASP A 75 -5.519 11.714 -6.723 1.00 72.05 O ATOM 0 H ASP A 75 -4.622 11.102 -10.806 1.00 54.33 H new ATOM 0 HA ASP A 75 -5.447 13.687 -9.842 1.00 4.21 H new ATOM 0 HB2 ASP A 75 -4.295 11.244 -8.820 1.00 61.05 H new ATOM 0 HB3 ASP A 75 -3.253 12.579 -8.366 1.00 61.05 H new ATOM 1062 N LEU A 76 -2.413 13.231 -11.129 1.00 73.01 N ATOM 1063 CA LEU A 76 -1.073 13.782 -11.376 1.00 61.05 C ATOM 1064 C LEU A 76 -0.823 14.091 -12.849 1.00 22.21 C ATOM 1065 O LEU A 76 0.336 14.143 -13.262 1.00 44.51 O ATOM 1066 CB LEU A 76 0.016 12.827 -10.856 1.00 72.24 C ATOM 1067 CG LEU A 76 -0.155 12.414 -9.393 1.00 23.12 C ATOM 1068 CD1 LEU A 76 0.961 11.457 -8.987 1.00 35.11 C ATOM 1069 CD2 LEU A 76 -0.189 13.602 -8.437 1.00 61.23 C ATOM 0 H LEU A 76 -2.543 12.305 -11.537 1.00 73.01 H new ATOM 0 HA LEU A 76 -1.025 14.724 -10.830 1.00 61.05 H new ATOM 0 HB2 LEU A 76 0.023 11.931 -11.476 1.00 72.24 H new ATOM 0 HB3 LEU A 76 0.989 13.304 -10.975 1.00 72.24 H new ATOM 0 HG LEU A 76 -1.123 11.918 -9.318 1.00 23.12 H new ATOM 0 HD11 LEU A 76 0.831 11.168 -7.944 1.00 35.11 H new ATOM 0 HD12 LEU A 76 0.925 10.568 -9.617 1.00 35.11 H new ATOM 0 HD13 LEU A 76 1.925 11.950 -9.110 1.00 35.11 H new ATOM 0 HD21 LEU A 76 -0.312 13.243 -7.415 1.00 61.23 H new ATOM 0 HD22 LEU A 76 0.744 14.159 -8.516 1.00 61.23 H new ATOM 0 HD23 LEU A 76 -1.024 14.254 -8.696 1.00 61.23 H new ATOM 1080 N GLU A 77 -1.882 14.276 -13.635 1.00 35.32 N ATOM 1081 CA GLU A 77 -1.832 14.554 -15.062 1.00 4.11 C ATOM 1082 C GLU A 77 -0.934 15.779 -15.298 1.00 12.34 C ATOM 1083 O GLU A 77 -1.323 16.901 -14.967 1.00 12.42 O ATOM 1084 CB GLU A 77 -3.270 14.766 -15.569 1.00 11.24 C ATOM 1085 CG GLU A 77 -3.412 14.664 -17.096 1.00 54.42 C ATOM 1086 CD GLU A 77 -3.789 13.246 -17.537 1.00 64.03 C ATOM 1087 OE1 GLU A 77 -4.947 12.829 -17.285 1.00 31.14 O ATOM 1088 OE2 GLU A 77 -2.940 12.559 -18.154 1.00 64.32 O ATOM 0 H GLU A 77 -2.836 14.234 -13.276 1.00 35.32 H new ATOM 0 HA GLU A 77 -1.402 13.722 -15.619 1.00 4.11 H new ATOM 0 HB2 GLU A 77 -3.922 14.027 -15.103 1.00 11.24 H new ATOM 0 HB3 GLU A 77 -3.618 15.747 -15.246 1.00 11.24 H new ATOM 0 HG2 GLU A 77 -4.173 15.366 -17.438 1.00 54.42 H new ATOM 0 HG3 GLU A 77 -2.474 14.955 -17.569 1.00 54.42 H new ATOM 1093 N GLY A 78 0.287 15.572 -15.798 1.00 42.14 N ATOM 1094 CA GLY A 78 1.249 16.649 -16.023 1.00 60.03 C ATOM 1095 C GLY A 78 2.064 17.048 -14.786 1.00 3.23 C ATOM 1096 O GLY A 78 2.584 18.165 -14.749 1.00 35.31 O ATOM 0 H GLY A 78 0.635 14.649 -16.058 1.00 42.14 H new ATOM 0 HA2 GLY A 78 1.937 16.345 -16.812 1.00 60.03 H new ATOM 0 HA3 GLY A 78 0.714 17.526 -16.387 1.00 60.03 H new ATOM 1100 N LYS A 79 2.167 16.193 -13.761 1.00 60.24 N ATOM 1101 CA LYS A 79 3.066 16.358 -12.611 1.00 44.31 C ATOM 1102 C LYS A 79 3.924 15.124 -12.369 1.00 64.25 C ATOM 1103 O LYS A 79 4.999 15.242 -11.783 1.00 61.44 O ATOM 1104 CB LYS A 79 2.290 16.648 -11.322 1.00 55.14 C ATOM 1105 CG LYS A 79 1.507 17.959 -11.348 1.00 20.11 C ATOM 1106 CD LYS A 79 0.142 17.866 -12.056 1.00 53.54 C ATOM 1107 CE LYS A 79 -0.955 18.432 -11.151 1.00 40.14 C ATOM 1108 NZ LYS A 79 -1.757 19.479 -11.809 1.00 0.14 N ATOM 0 H LYS A 79 1.610 15.340 -13.707 1.00 60.24 H new ATOM 0 HA LYS A 79 3.706 17.204 -12.862 1.00 44.31 H new ATOM 0 HB2 LYS A 79 1.598 15.827 -11.135 1.00 55.14 H new ATOM 0 HB3 LYS A 79 2.990 16.672 -10.487 1.00 55.14 H new ATOM 0 HG2 LYS A 79 1.350 18.296 -10.323 1.00 20.11 H new ATOM 0 HG3 LYS A 79 2.110 18.719 -11.844 1.00 20.11 H new ATOM 0 HD2 LYS A 79 0.171 18.418 -12.995 1.00 53.54 H new ATOM 0 HD3 LYS A 79 -0.079 16.828 -12.304 1.00 53.54 H new ATOM 0 HE2 LYS A 79 -1.613 17.622 -10.835 1.00 40.14 H new ATOM 0 HE3 LYS A 79 -0.500 18.843 -10.250 1.00 40.14 H new ATOM 0 HZ1 LYS A 79 -2.483 19.825 -11.150 1.00 0.14 H new ATOM 0 HZ2 LYS A 79 -1.138 20.267 -12.087 1.00 0.14 H new ATOM 0 HZ3 LYS A 79 -2.216 19.084 -12.655 1.00 0.14 H new ATOM 1118 N ALA A 80 3.446 13.939 -12.740 1.00 42.32 N ATOM 1119 CA ALA A 80 4.179 12.695 -12.730 1.00 3.30 C ATOM 1120 C ALA A 80 3.480 11.826 -13.757 1.00 24.21 C ATOM 1121 O ALA A 80 2.254 11.867 -13.875 1.00 40.13 O ATOM 1122 CB ALA A 80 4.124 12.038 -11.347 1.00 44.11 C ATOM 0 H ALA A 80 2.488 13.825 -13.071 1.00 42.32 H new ATOM 0 HA ALA A 80 5.234 12.843 -12.959 1.00 3.30 H new ATOM 0 HB1 ALA A 80 4.684 11.103 -11.366 1.00 44.11 H new ATOM 0 HB2 ALA A 80 4.563 12.708 -10.608 1.00 44.11 H new ATOM 0 HB3 ALA A 80 3.086 11.835 -11.082 1.00 44.11 H new ATOM 1128 N ASP A 81 4.251 11.030 -14.480 1.00 3.11 N ATOM 1129 CA ASP A 81 3.728 10.097 -15.468 1.00 41.24 C ATOM 1130 C ASP A 81 4.009 8.681 -14.997 1.00 15.54 C ATOM 1131 O ASP A 81 4.526 8.465 -13.897 1.00 75.35 O ATOM 1132 CB ASP A 81 4.321 10.359 -16.858 1.00 21.01 C ATOM 1133 CG ASP A 81 4.123 11.791 -17.321 1.00 4.22 C ATOM 1134 OD1 ASP A 81 2.960 12.254 -17.300 1.00 20.23 O ATOM 1135 OD2 ASP A 81 5.100 12.423 -17.778 1.00 22.00 O ATOM 0 H ASP A 81 5.268 11.012 -14.398 1.00 3.11 H new ATOM 0 HA ASP A 81 2.651 10.237 -15.563 1.00 41.24 H new ATOM 0 HB2 ASP A 81 5.387 10.131 -16.842 1.00 21.01 H new ATOM 0 HB3 ASP A 81 3.861 9.682 -17.578 1.00 21.01 H new ATOM 1139 N GLU A 82 3.676 7.702 -15.832 1.00 24.03 N ATOM 1140 CA GLU A 82 3.786 6.284 -15.543 1.00 62.34 C ATOM 1141 C GLU A 82 5.166 5.924 -14.989 1.00 75.03 C ATOM 1142 O GLU A 82 5.253 5.337 -13.915 1.00 35.00 O ATOM 1143 CB GLU A 82 3.407 5.532 -16.824 1.00 60.31 C ATOM 1144 CG GLU A 82 3.539 4.008 -16.725 1.00 20.41 C ATOM 1145 CD GLU A 82 4.860 3.528 -17.312 1.00 55.22 C ATOM 1146 OE1 GLU A 82 4.954 3.384 -18.549 1.00 31.12 O ATOM 1147 OE2 GLU A 82 5.808 3.232 -16.554 1.00 71.12 O ATOM 0 H GLU A 82 3.308 7.887 -16.765 1.00 24.03 H new ATOM 0 HA GLU A 82 3.102 5.987 -14.748 1.00 62.34 H new ATOM 0 HB2 GLU A 82 2.378 5.779 -17.085 1.00 60.31 H new ATOM 0 HB3 GLU A 82 4.037 5.887 -17.639 1.00 60.31 H new ATOM 0 HG2 GLU A 82 3.470 3.702 -15.681 1.00 20.41 H new ATOM 0 HG3 GLU A 82 2.711 3.534 -17.252 1.00 20.41 H new ATOM 1152 N GLU A 83 6.214 6.395 -15.661 1.00 34.40 N ATOM 1153 CA GLU A 83 7.640 6.244 -15.354 1.00 22.10 C ATOM 1154 C GLU A 83 8.030 6.769 -13.956 1.00 62.42 C ATOM 1155 O GLU A 83 9.167 6.596 -13.516 1.00 41.54 O ATOM 1156 CB GLU A 83 8.346 7.056 -16.443 1.00 12.10 C ATOM 1157 CG GLU A 83 9.862 6.917 -16.626 1.00 31.10 C ATOM 1158 CD GLU A 83 10.418 8.217 -17.206 1.00 51.45 C ATOM 1159 OE1 GLU A 83 9.837 8.724 -18.196 1.00 41.22 O ATOM 1160 OE2 GLU A 83 11.307 8.831 -16.586 1.00 22.12 O ATOM 0 H GLU A 83 6.078 6.942 -16.511 1.00 34.40 H new ATOM 0 HA GLU A 83 7.920 5.191 -15.338 1.00 22.10 H new ATOM 0 HB2 GLU A 83 7.878 6.803 -17.394 1.00 12.10 H new ATOM 0 HB3 GLU A 83 8.135 8.109 -16.254 1.00 12.10 H new ATOM 0 HG2 GLU A 83 10.337 6.698 -15.670 1.00 31.10 H new ATOM 0 HG3 GLU A 83 10.085 6.083 -17.291 1.00 31.10 H new ATOM 1165 N THR A 84 7.110 7.424 -13.251 1.00 12.11 N ATOM 1166 CA THR A 84 7.284 7.905 -11.893 1.00 42.11 C ATOM 1167 C THR A 84 6.239 7.255 -10.971 1.00 51.31 C ATOM 1168 O THR A 84 6.588 6.773 -9.896 1.00 34.31 O ATOM 1169 CB THR A 84 7.232 9.443 -11.906 1.00 34.13 C ATOM 1170 OG1 THR A 84 8.134 10.008 -12.850 1.00 33.03 O ATOM 1171 CG2 THR A 84 7.636 10.017 -10.552 1.00 51.22 C ATOM 0 H THR A 84 6.188 7.640 -13.630 1.00 12.11 H new ATOM 0 HA THR A 84 8.256 7.619 -11.491 1.00 42.11 H new ATOM 0 HB THR A 84 6.202 9.692 -12.163 1.00 34.13 H new ATOM 0 HG1 THR A 84 8.065 10.985 -12.824 1.00 33.03 H new ATOM 0 HG21 THR A 84 7.590 11.105 -10.590 1.00 51.22 H new ATOM 0 HG22 THR A 84 6.954 9.652 -9.784 1.00 51.22 H new ATOM 0 HG23 THR A 84 8.653 9.705 -10.313 1.00 51.22 H new ATOM 1179 N ILE A 85 4.970 7.179 -11.375 1.00 44.42 N ATOM 1180 CA ILE A 85 3.888 6.592 -10.587 1.00 3.51 C ATOM 1181 C ILE A 85 4.146 5.107 -10.353 1.00 41.53 C ATOM 1182 O ILE A 85 4.227 4.660 -9.207 1.00 53.45 O ATOM 1183 CB ILE A 85 2.538 6.802 -11.301 1.00 33.30 C ATOM 1184 CG1 ILE A 85 2.270 8.325 -11.446 1.00 71.42 C ATOM 1185 CG2 ILE A 85 1.414 6.124 -10.494 1.00 40.31 C ATOM 1186 CD1 ILE A 85 1.122 8.715 -12.378 1.00 75.31 C ATOM 0 H ILE A 85 4.660 7.532 -12.280 1.00 44.42 H new ATOM 0 HA ILE A 85 3.850 7.089 -9.618 1.00 3.51 H new ATOM 0 HB ILE A 85 2.567 6.353 -12.294 1.00 33.30 H new ATOM 0 HG12 ILE A 85 2.064 8.734 -10.457 1.00 71.42 H new ATOM 0 HG13 ILE A 85 3.182 8.802 -11.805 1.00 71.42 H new ATOM 0 HG21 ILE A 85 0.461 6.274 -11.001 1.00 40.31 H new ATOM 0 HG22 ILE A 85 1.618 5.056 -10.413 1.00 40.31 H new ATOM 0 HG23 ILE A 85 1.367 6.561 -9.497 1.00 40.31 H new ATOM 0 HD11 ILE A 85 1.026 9.800 -12.403 1.00 75.31 H new ATOM 0 HD12 ILE A 85 1.328 8.346 -13.383 1.00 75.31 H new ATOM 0 HD13 ILE A 85 0.193 8.277 -12.014 1.00 75.31 H new ATOM 1197 N ARG A 86 4.269 4.329 -11.434 1.00 51.51 N ATOM 1198 CA ARG A 86 4.572 2.907 -11.339 1.00 71.22 C ATOM 1199 C ARG A 86 5.906 2.730 -10.631 1.00 62.04 C ATOM 1200 O ARG A 86 6.037 1.794 -9.846 1.00 22.11 O ATOM 1201 CB ARG A 86 4.584 2.261 -12.737 1.00 34.44 C ATOM 1202 CG ARG A 86 3.290 1.495 -13.062 1.00 4.14 C ATOM 1203 CD ARG A 86 3.385 0.010 -12.693 1.00 12.43 C ATOM 1204 NE ARG A 86 4.394 -0.664 -13.526 1.00 62.33 N ATOM 1205 CZ ARG A 86 4.764 -1.948 -13.507 1.00 64.24 C ATOM 1206 NH1 ARG A 86 4.096 -2.852 -12.805 1.00 74.23 N ATOM 1207 NH2 ARG A 86 5.838 -2.322 -14.187 1.00 15.34 N ATOM 0 H ARG A 86 4.161 4.669 -12.390 1.00 51.51 H new ATOM 0 HA ARG A 86 3.798 2.404 -10.759 1.00 71.22 H new ATOM 0 HB2 ARG A 86 4.738 3.037 -13.487 1.00 34.44 H new ATOM 0 HB3 ARG A 86 5.430 1.578 -12.807 1.00 34.44 H new ATOM 0 HG2 ARG A 86 2.457 1.948 -12.524 1.00 4.14 H new ATOM 0 HG3 ARG A 86 3.072 1.590 -14.126 1.00 4.14 H new ATOM 0 HD2 ARG A 86 3.646 -0.093 -11.640 1.00 12.43 H new ATOM 0 HD3 ARG A 86 2.415 -0.467 -12.829 1.00 12.43 H new ATOM 0 HE ARG A 86 4.873 -0.074 -14.206 1.00 62.33 H new ATOM 0 HH11 ARG A 86 3.278 -2.574 -12.262 1.00 74.23 H new ATOM 0 HH12 ARG A 86 4.399 -3.826 -12.808 1.00 74.23 H new ATOM 0 HH21 ARG A 86 6.372 -1.633 -14.717 1.00 15.34 H new ATOM 0 HH22 ARG A 86 6.131 -3.299 -14.181 1.00 15.34 H new ATOM 1218 N ALA A 87 6.848 3.655 -10.838 1.00 74.54 N ATOM 1219 CA ALA A 87 8.153 3.558 -10.190 1.00 40.42 C ATOM 1220 C ALA A 87 7.991 3.624 -8.665 1.00 41.15 C ATOM 1221 O ALA A 87 8.399 2.697 -7.965 1.00 4.10 O ATOM 1222 CB ALA A 87 9.119 4.611 -10.730 1.00 21.51 C ATOM 0 H ALA A 87 6.731 4.469 -11.442 1.00 74.54 H new ATOM 0 HA ALA A 87 8.597 2.591 -10.428 1.00 40.42 H new ATOM 0 HB1 ALA A 87 10.082 4.513 -10.228 1.00 21.51 H new ATOM 0 HB2 ALA A 87 9.252 4.467 -11.802 1.00 21.51 H new ATOM 0 HB3 ALA A 87 8.713 5.606 -10.546 1.00 21.51 H new ATOM 1228 N LYS A 88 7.326 4.660 -8.141 1.00 15.32 N ATOM 1229 CA LYS A 88 7.054 4.810 -6.707 1.00 51.41 C ATOM 1230 C LYS A 88 6.213 3.665 -6.170 1.00 73.45 C ATOM 1231 O LYS A 88 6.420 3.220 -5.043 1.00 51.31 O ATOM 1232 CB LYS A 88 6.351 6.145 -6.416 1.00 63.14 C ATOM 1233 CG LYS A 88 7.347 7.320 -6.538 1.00 12.33 C ATOM 1234 CD LYS A 88 8.171 7.506 -5.249 1.00 14.10 C ATOM 1235 CE LYS A 88 9.241 8.607 -5.331 1.00 63.42 C ATOM 1236 NZ LYS A 88 10.454 8.199 -6.075 1.00 20.22 N ATOM 0 H LYS A 88 6.958 5.425 -8.706 1.00 15.32 H new ATOM 0 HA LYS A 88 8.019 4.795 -6.200 1.00 51.41 H new ATOM 0 HB2 LYS A 88 5.525 6.287 -7.113 1.00 63.14 H new ATOM 0 HB3 LYS A 88 5.923 6.126 -5.414 1.00 63.14 H new ATOM 0 HG2 LYS A 88 8.019 7.141 -7.377 1.00 12.33 H new ATOM 0 HG3 LYS A 88 6.802 8.238 -6.757 1.00 12.33 H new ATOM 0 HD2 LYS A 88 7.492 7.737 -4.429 1.00 14.10 H new ATOM 0 HD3 LYS A 88 8.657 6.562 -5.004 1.00 14.10 H new ATOM 0 HE2 LYS A 88 8.810 9.486 -5.809 1.00 63.42 H new ATOM 0 HE3 LYS A 88 9.526 8.901 -4.321 1.00 63.42 H new ATOM 0 HZ1 LYS A 88 11.274 8.730 -5.719 1.00 20.22 H new ATOM 0 HZ2 LYS A 88 10.617 7.180 -5.942 1.00 20.22 H new ATOM 0 HZ3 LYS A 88 10.324 8.400 -7.087 1.00 20.22 H new ATOM 1246 N MET A 89 5.248 3.176 -6.952 1.00 13.44 N ATOM 1247 CA MET A 89 4.439 2.036 -6.556 1.00 31.23 C ATOM 1248 C MET A 89 5.340 0.826 -6.281 1.00 2.41 C ATOM 1249 O MET A 89 5.211 0.225 -5.211 1.00 55.33 O ATOM 1250 CB MET A 89 3.335 1.790 -7.594 1.00 40.01 C ATOM 1251 CG MET A 89 2.611 0.450 -7.413 1.00 21.50 C ATOM 1252 SD MET A 89 0.898 0.441 -8.022 1.00 75.45 S ATOM 1253 CE MET A 89 1.027 -0.718 -9.413 1.00 35.30 C ATOM 0 H MET A 89 5.012 3.559 -7.867 1.00 13.44 H new ATOM 0 HA MET A 89 3.921 2.237 -5.618 1.00 31.23 H new ATOM 0 HB2 MET A 89 2.606 2.598 -7.536 1.00 40.01 H new ATOM 0 HB3 MET A 89 3.772 1.826 -8.592 1.00 40.01 H new ATOM 0 HG2 MET A 89 3.173 -0.327 -7.931 1.00 21.50 H new ATOM 0 HG3 MET A 89 2.610 0.190 -6.354 1.00 21.50 H new ATOM 0 HE1 MET A 89 0.052 -0.827 -9.888 1.00 35.30 H new ATOM 0 HE2 MET A 89 1.744 -0.336 -10.140 1.00 35.30 H new ATOM 0 HE3 MET A 89 1.363 -1.689 -9.048 1.00 35.30 H new ATOM 1261 N VAL A 90 6.260 0.504 -7.194 1.00 52.25 N ATOM 1262 CA VAL A 90 7.238 -0.577 -7.053 1.00 53.12 C ATOM 1263 C VAL A 90 8.184 -0.291 -5.871 1.00 71.54 C ATOM 1264 O VAL A 90 8.387 -1.156 -5.018 1.00 20.34 O ATOM 1265 CB VAL A 90 7.968 -0.764 -8.405 1.00 52.01 C ATOM 1266 CG1 VAL A 90 9.119 -1.774 -8.327 1.00 20.52 C ATOM 1267 CG2 VAL A 90 7.008 -1.268 -9.500 1.00 51.42 C ATOM 0 H VAL A 90 6.347 1.004 -8.079 1.00 52.25 H new ATOM 0 HA VAL A 90 6.747 -1.521 -6.815 1.00 53.12 H new ATOM 0 HB VAL A 90 8.361 0.223 -8.649 1.00 52.01 H new ATOM 0 HG11 VAL A 90 9.592 -1.862 -9.305 1.00 20.52 H new ATOM 0 HG12 VAL A 90 9.854 -1.433 -7.598 1.00 20.52 H new ATOM 0 HG13 VAL A 90 8.730 -2.746 -8.023 1.00 20.52 H new ATOM 0 HG21 VAL A 90 7.554 -1.388 -10.436 1.00 51.42 H new ATOM 0 HG22 VAL A 90 6.586 -2.227 -9.200 1.00 51.42 H new ATOM 0 HG23 VAL A 90 6.204 -0.546 -9.640 1.00 51.42 H new ATOM 1277 N GLU A 91 8.710 0.933 -5.769 1.00 40.24 N ATOM 1278 CA GLU A 91 9.594 1.417 -4.703 1.00 3.01 C ATOM 1279 C GLU A 91 8.956 1.353 -3.307 1.00 44.25 C ATOM 1280 O GLU A 91 9.636 1.561 -2.306 1.00 62.34 O ATOM 1281 CB GLU A 91 10.024 2.851 -5.064 1.00 61.14 C ATOM 1282 CG GLU A 91 11.086 3.467 -4.142 1.00 44.31 C ATOM 1283 CD GLU A 91 11.769 4.685 -4.771 1.00 62.34 C ATOM 1284 OE1 GLU A 91 11.091 5.547 -5.386 1.00 15.40 O ATOM 1285 OE2 GLU A 91 13.018 4.741 -4.702 1.00 13.00 O ATOM 0 H GLU A 91 8.520 1.653 -6.466 1.00 40.24 H new ATOM 0 HA GLU A 91 10.461 0.760 -4.642 1.00 3.01 H new ATOM 0 HB2 GLU A 91 10.407 2.852 -6.084 1.00 61.14 H new ATOM 0 HB3 GLU A 91 9.142 3.491 -5.054 1.00 61.14 H new ATOM 0 HG2 GLU A 91 10.620 3.760 -3.201 1.00 44.31 H new ATOM 0 HG3 GLU A 91 11.838 2.714 -3.905 1.00 44.31 H new ATOM 1290 N LEU A 92 7.660 1.053 -3.205 1.00 73.11 N ATOM 1291 CA LEU A 92 6.916 0.906 -1.968 1.00 12.31 C ATOM 1292 C LEU A 92 6.115 -0.397 -2.022 1.00 54.31 C ATOM 1293 O LEU A 92 4.971 -0.460 -1.560 1.00 52.22 O ATOM 1294 CB LEU A 92 6.013 2.134 -1.811 1.00 12.42 C ATOM 1295 CG LEU A 92 6.755 3.491 -1.724 1.00 54.01 C ATOM 1296 CD1 LEU A 92 5.779 4.664 -1.831 1.00 35.53 C ATOM 1297 CD2 LEU A 92 7.536 3.614 -0.419 1.00 61.45 C ATOM 0 H LEU A 92 7.078 0.900 -4.029 1.00 73.11 H new ATOM 0 HA LEU A 92 7.577 0.849 -1.103 1.00 12.31 H new ATOM 0 HB2 LEU A 92 5.324 2.168 -2.655 1.00 12.42 H new ATOM 0 HB3 LEU A 92 5.410 2.009 -0.911 1.00 12.42 H new ATOM 0 HG LEU A 92 7.451 3.524 -2.562 1.00 54.01 H new ATOM 0 HD11 LEU A 92 6.330 5.602 -1.767 1.00 35.53 H new ATOM 0 HD12 LEU A 92 5.255 4.615 -2.786 1.00 35.53 H new ATOM 0 HD13 LEU A 92 5.056 4.611 -1.017 1.00 35.53 H new ATOM 0 HD21 LEU A 92 8.045 4.577 -0.389 1.00 61.45 H new ATOM 0 HD22 LEU A 92 6.849 3.540 0.424 1.00 61.45 H new ATOM 0 HD23 LEU A 92 8.272 2.812 -0.359 1.00 61.45 H new ATOM 1308 N ARG A 93 6.678 -1.441 -2.640 1.00 24.33 N ATOM 1309 CA ARG A 93 6.039 -2.745 -2.789 1.00 40.41 C ATOM 1310 C ARG A 93 6.854 -3.792 -2.048 1.00 75.42 C ATOM 1311 O ARG A 93 6.466 -4.164 -0.941 1.00 72.11 O ATOM 1312 CB ARG A 93 5.805 -3.059 -4.280 1.00 53.02 C ATOM 1313 CG ARG A 93 4.372 -3.518 -4.538 1.00 64.35 C ATOM 1314 CD ARG A 93 3.381 -2.347 -4.458 1.00 73.42 C ATOM 1315 NE ARG A 93 2.000 -2.824 -4.285 1.00 52.01 N ATOM 1316 CZ ARG A 93 1.514 -3.478 -3.223 1.00 2.12 C ATOM 1317 NH1 ARG A 93 2.251 -3.715 -2.142 1.00 12.12 N ATOM 1318 NH2 ARG A 93 0.265 -3.890 -3.230 1.00 54.42 N ATOM 0 H ARG A 93 7.608 -1.398 -3.057 1.00 24.33 H new ATOM 0 HA ARG A 93 5.048 -2.746 -2.334 1.00 40.41 H new ATOM 0 HB2 ARG A 93 6.017 -2.172 -4.877 1.00 53.02 H new ATOM 0 HB3 ARG A 93 6.500 -3.834 -4.603 1.00 53.02 H new ATOM 0 HG2 ARG A 93 4.309 -3.982 -5.522 1.00 64.35 H new ATOM 0 HG3 ARG A 93 4.096 -4.280 -3.809 1.00 64.35 H new ATOM 0 HD2 ARG A 93 3.650 -1.697 -3.626 1.00 73.42 H new ATOM 0 HD3 ARG A 93 3.450 -1.748 -5.366 1.00 73.42 H new ATOM 0 HE ARG A 93 1.350 -2.638 -5.049 1.00 52.01 H new ATOM 0 HH11 ARG A 93 3.219 -3.395 -2.104 1.00 12.12 H new ATOM 0 HH12 ARG A 93 1.849 -4.217 -1.350 1.00 12.12 H new ATOM 0 HH21 ARG A 93 -0.327 -3.711 -4.041 1.00 54.42 H new ATOM 0 HH22 ARG A 93 -0.112 -4.389 -2.424 1.00 54.42 H new ATOM 1329 N ALA A 94 8.034 -4.139 -2.566 1.00 71.45 N ATOM 1330 CA ALA A 94 9.016 -4.978 -1.884 1.00 64.45 C ATOM 1331 C ALA A 94 9.323 -4.429 -0.480 1.00 75.41 C ATOM 1332 O ALA A 94 9.450 -5.169 0.494 1.00 23.40 O ATOM 1333 CB ALA A 94 10.268 -5.007 -2.767 1.00 51.25 C ATOM 0 H ALA A 94 8.338 -3.837 -3.492 1.00 71.45 H new ATOM 0 HA ALA A 94 8.635 -5.989 -1.739 1.00 64.45 H new ATOM 0 HB1 ALA A 94 11.032 -5.625 -2.295 1.00 51.25 H new ATOM 0 HB2 ALA A 94 10.016 -5.424 -3.742 1.00 51.25 H new ATOM 0 HB3 ALA A 94 10.648 -3.993 -2.893 1.00 51.25 H new ATOM 1339 N THR A 95 9.359 -3.106 -0.355 1.00 12.12 N ATOM 1340 CA THR A 95 9.574 -2.426 0.910 1.00 22.42 C ATOM 1341 C THR A 95 8.421 -2.703 1.867 1.00 15.00 C ATOM 1342 O THR A 95 8.672 -3.038 3.019 1.00 14.11 O ATOM 1343 CB THR A 95 9.735 -0.915 0.688 1.00 14.14 C ATOM 1344 OG1 THR A 95 10.407 -0.678 -0.529 1.00 23.42 O ATOM 1345 CG2 THR A 95 10.550 -0.307 1.833 1.00 55.41 C ATOM 0 H THR A 95 9.237 -2.470 -1.143 1.00 12.12 H new ATOM 0 HA THR A 95 10.492 -2.809 1.355 1.00 22.42 H new ATOM 0 HB THR A 95 8.746 -0.457 0.656 1.00 14.14 H new ATOM 0 HG1 THR A 95 10.011 0.100 -0.975 1.00 23.42 H new ATOM 0 HG21 THR A 95 10.662 0.765 1.671 1.00 55.41 H new ATOM 0 HG22 THR A 95 10.035 -0.480 2.778 1.00 55.41 H new ATOM 0 HG23 THR A 95 11.535 -0.773 1.866 1.00 55.41 H new ATOM 1353 N ALA A 96 7.171 -2.583 1.397 1.00 43.01 N ATOM 1354 CA ALA A 96 5.993 -2.841 2.211 1.00 60.23 C ATOM 1355 C ALA A 96 6.020 -4.289 2.713 1.00 72.21 C ATOM 1356 O ALA A 96 5.789 -4.497 3.898 1.00 2.11 O ATOM 1357 CB ALA A 96 4.703 -2.499 1.446 1.00 52.22 C ATOM 0 H ALA A 96 6.957 -2.304 0.440 1.00 43.01 H new ATOM 0 HA ALA A 96 6.007 -2.189 3.084 1.00 60.23 H new ATOM 0 HB1 ALA A 96 3.840 -2.702 2.080 1.00 52.22 H new ATOM 0 HB2 ALA A 96 4.712 -1.444 1.171 1.00 52.22 H new ATOM 0 HB3 ALA A 96 4.642 -3.108 0.544 1.00 52.22 H new ATOM 1363 N ARG A 97 6.364 -5.270 1.860 1.00 4.21 N ATOM 1364 CA ARG A 97 6.514 -6.677 2.237 1.00 0.02 C ATOM 1365 C ARG A 97 7.362 -6.795 3.504 1.00 11.24 C ATOM 1366 O ARG A 97 6.914 -7.369 4.497 1.00 55.21 O ATOM 1367 CB ARG A 97 7.061 -7.496 1.038 1.00 52.45 C ATOM 1368 CG ARG A 97 7.750 -8.814 1.460 1.00 20.33 C ATOM 1369 CD ARG A 97 8.322 -9.647 0.303 1.00 42.15 C ATOM 1370 NE ARG A 97 7.376 -10.641 -0.233 1.00 33.24 N ATOM 1371 CZ ARG A 97 7.374 -11.154 -1.468 1.00 42.24 C ATOM 1372 NH1 ARG A 97 8.365 -10.873 -2.308 1.00 23.14 N ATOM 1373 NH2 ARG A 97 6.364 -11.928 -1.860 1.00 12.03 N ATOM 0 H ARG A 97 6.548 -5.098 0.872 1.00 4.21 H new ATOM 0 HA ARG A 97 5.542 -7.107 2.480 1.00 0.02 H new ATOM 0 HB2 ARG A 97 6.240 -7.725 0.359 1.00 52.45 H new ATOM 0 HB3 ARG A 97 7.772 -6.884 0.483 1.00 52.45 H new ATOM 0 HG2 ARG A 97 8.558 -8.578 2.152 1.00 20.33 H new ATOM 0 HG3 ARG A 97 7.030 -9.424 2.006 1.00 20.33 H new ATOM 0 HD2 ARG A 97 8.625 -8.976 -0.501 1.00 42.15 H new ATOM 0 HD3 ARG A 97 9.220 -10.161 0.646 1.00 42.15 H new ATOM 0 HE ARG A 97 6.649 -10.971 0.402 1.00 33.24 H new ATOM 0 HH11 ARG A 97 9.128 -10.265 -2.011 1.00 23.14 H new ATOM 0 HH12 ARG A 97 8.362 -11.265 -3.250 1.00 23.14 H new ATOM 0 HH21 ARG A 97 5.596 -12.128 -1.219 1.00 12.03 H new ATOM 0 HH22 ARG A 97 6.358 -12.321 -2.801 1.00 12.03 H new ATOM 1384 N GLU A 98 8.593 -6.293 3.472 1.00 0.24 N ATOM 1385 CA GLU A 98 9.525 -6.437 4.578 1.00 54.33 C ATOM 1386 C GLU A 98 9.085 -5.589 5.779 1.00 24.22 C ATOM 1387 O GLU A 98 9.145 -6.060 6.917 1.00 73.25 O ATOM 1388 CB GLU A 98 10.927 -6.101 4.053 1.00 51.32 C ATOM 1389 CG GLU A 98 11.555 -7.358 3.417 1.00 20.40 C ATOM 1390 CD GLU A 98 12.540 -7.073 2.279 1.00 32.54 C ATOM 1391 OE1 GLU A 98 13.204 -6.005 2.259 1.00 61.54 O ATOM 1392 OE2 GLU A 98 12.624 -7.909 1.355 1.00 42.22 O ATOM 0 H GLU A 98 8.969 -5.776 2.678 1.00 0.24 H new ATOM 0 HA GLU A 98 9.542 -7.460 4.955 1.00 54.33 H new ATOM 0 HB2 GLU A 98 10.868 -5.299 3.317 1.00 51.32 H new ATOM 0 HB3 GLU A 98 11.555 -5.741 4.868 1.00 51.32 H new ATOM 0 HG2 GLU A 98 12.071 -7.923 4.193 1.00 20.40 H new ATOM 0 HG3 GLU A 98 10.756 -7.995 3.037 1.00 20.40 H new ATOM 1397 N GLN A 99 8.565 -4.381 5.532 1.00 32.23 N ATOM 1398 CA GLN A 99 8.088 -3.462 6.556 1.00 71.35 C ATOM 1399 C GLN A 99 7.069 -4.117 7.500 1.00 73.22 C ATOM 1400 O GLN A 99 7.127 -3.851 8.698 1.00 34.33 O ATOM 1401 CB GLN A 99 7.517 -2.184 5.916 1.00 42.25 C ATOM 1402 CG GLN A 99 8.575 -1.088 5.714 1.00 22.33 C ATOM 1403 CD GLN A 99 7.913 0.249 5.383 1.00 2.12 C ATOM 1404 OE1 GLN A 99 7.168 0.790 6.192 1.00 52.13 O ATOM 1405 NE2 GLN A 99 8.174 0.843 4.232 1.00 64.52 N ATOM 0 H GLN A 99 8.464 -4.012 4.587 1.00 32.23 H new ATOM 0 HA GLN A 99 8.946 -3.186 7.168 1.00 71.35 H new ATOM 0 HB2 GLN A 99 7.073 -2.434 4.953 1.00 42.25 H new ATOM 0 HB3 GLN A 99 6.716 -1.796 6.545 1.00 42.25 H new ATOM 0 HG2 GLN A 99 9.178 -0.987 6.616 1.00 22.33 H new ATOM 0 HG3 GLN A 99 9.252 -1.373 4.909 1.00 22.33 H new ATOM 0 HE21 GLN A 99 8.794 0.396 3.556 1.00 64.52 H new ATOM 0 HE22 GLN A 99 7.756 1.749 4.019 1.00 64.52 H new ATOM 1412 N ILE A 100 6.184 -4.994 7.006 1.00 22.14 N ATOM 1413 CA ILE A 100 5.147 -5.633 7.823 1.00 42.22 C ATOM 1414 C ILE A 100 5.713 -6.445 8.978 1.00 55.23 C ATOM 1415 O ILE A 100 5.059 -6.522 10.004 1.00 62.23 O ATOM 1416 CB ILE A 100 4.283 -6.576 6.944 1.00 32.13 C ATOM 1417 CG1 ILE A 100 3.426 -5.840 5.895 1.00 40.12 C ATOM 1418 CG2 ILE A 100 3.343 -7.525 7.725 1.00 31.54 C ATOM 1419 CD1 ILE A 100 2.638 -4.648 6.433 1.00 1.42 C ATOM 0 H ILE A 100 6.168 -5.280 6.027 1.00 22.14 H new ATOM 0 HA ILE A 100 4.548 -4.824 8.241 1.00 42.22 H new ATOM 0 HB ILE A 100 5.050 -7.172 6.450 1.00 32.13 H new ATOM 0 HG12 ILE A 100 4.077 -5.494 5.092 1.00 40.12 H new ATOM 0 HG13 ILE A 100 2.727 -6.551 5.454 1.00 40.12 H new ATOM 0 HG21 ILE A 100 2.783 -8.142 7.022 1.00 31.54 H new ATOM 0 HG22 ILE A 100 3.934 -8.166 8.379 1.00 31.54 H new ATOM 0 HG23 ILE A 100 2.648 -6.937 8.325 1.00 31.54 H new ATOM 0 HD11 ILE A 100 2.066 -4.195 5.623 1.00 1.42 H new ATOM 0 HD12 ILE A 100 1.957 -4.985 7.214 1.00 1.42 H new ATOM 0 HD13 ILE A 100 3.328 -3.912 6.846 1.00 1.42 H new ATOM 1430 N ILE A 101 6.858 -7.107 8.834 1.00 52.44 N ATOM 1431 CA ILE A 101 7.416 -7.934 9.896 1.00 44.42 C ATOM 1432 C ILE A 101 8.428 -7.094 10.673 1.00 0.34 C ATOM 1433 O ILE A 101 8.607 -7.285 11.876 1.00 23.13 O ATOM 1434 CB ILE A 101 8.017 -9.191 9.252 1.00 23.24 C ATOM 1435 CG1 ILE A 101 6.924 -10.026 8.533 1.00 60.13 C ATOM 1436 CG2 ILE A 101 8.830 -10.017 10.260 1.00 33.31 C ATOM 1437 CD1 ILE A 101 6.228 -11.117 9.361 1.00 53.33 C ATOM 0 H ILE A 101 7.421 -7.085 7.983 1.00 52.44 H new ATOM 0 HA ILE A 101 6.665 -8.268 10.612 1.00 44.42 H new ATOM 0 HB ILE A 101 8.724 -8.870 8.487 1.00 23.24 H new ATOM 0 HG12 ILE A 101 6.161 -9.341 8.164 1.00 60.13 H new ATOM 0 HG13 ILE A 101 7.376 -10.498 7.661 1.00 60.13 H new ATOM 0 HG21 ILE A 101 9.238 -10.898 9.764 1.00 33.31 H new ATOM 0 HG22 ILE A 101 9.646 -9.411 10.653 1.00 33.31 H new ATOM 0 HG23 ILE A 101 8.183 -10.329 11.080 1.00 33.31 H new ATOM 0 HD11 ILE A 101 5.488 -11.626 8.744 1.00 53.33 H new ATOM 0 HD12 ILE A 101 6.968 -11.838 9.708 1.00 53.33 H new ATOM 0 HD13 ILE A 101 5.734 -10.662 10.220 1.00 53.33 H new ATOM 1448 N SER A 102 9.038 -6.110 10.012 1.00 24.23 N ATOM 1449 CA SER A 102 9.922 -5.145 10.652 1.00 74.42 C ATOM 1450 C SER A 102 9.150 -4.309 11.697 1.00 54.15 C ATOM 1451 O SER A 102 9.754 -3.797 12.647 1.00 4.01 O ATOM 1452 CB SER A 102 10.546 -4.310 9.526 1.00 32.11 C ATOM 1453 OG SER A 102 11.478 -3.334 9.951 1.00 42.23 O ATOM 0 H SER A 102 8.929 -5.962 9.009 1.00 24.23 H new ATOM 0 HA SER A 102 10.719 -5.627 11.218 1.00 74.42 H new ATOM 0 HB2 SER A 102 11.041 -4.983 8.827 1.00 32.11 H new ATOM 0 HB3 SER A 102 9.746 -3.812 8.977 1.00 32.11 H new ATOM 0 HG SER A 102 11.825 -2.852 9.172 1.00 42.23 H new ATOM 1458 N GLU A 103 7.821 -4.183 11.559 1.00 34.21 N ATOM 1459 CA GLU A 103 6.967 -3.424 12.472 1.00 11.00 C ATOM 1460 C GLU A 103 6.602 -4.184 13.763 1.00 41.41 C ATOM 1461 O GLU A 103 6.025 -3.611 14.697 1.00 63.55 O ATOM 1462 CB GLU A 103 5.728 -2.917 11.713 1.00 0.43 C ATOM 1463 CG GLU A 103 4.426 -3.722 11.764 1.00 63.54 C ATOM 1464 CD GLU A 103 3.322 -3.023 10.959 1.00 60.11 C ATOM 1465 OE1 GLU A 103 3.504 -2.757 9.751 1.00 44.43 O ATOM 1466 OE2 GLU A 103 2.311 -2.600 11.579 1.00 24.51 O ATOM 0 H GLU A 103 7.305 -4.616 10.793 1.00 34.21 H new ATOM 0 HA GLU A 103 7.542 -2.567 12.824 1.00 11.00 H new ATOM 0 HB2 GLU A 103 5.507 -1.916 12.083 1.00 0.43 H new ATOM 0 HB3 GLU A 103 6.007 -2.815 10.664 1.00 0.43 H new ATOM 0 HG2 GLU A 103 4.596 -4.722 11.365 1.00 63.54 H new ATOM 0 HG3 GLU A 103 4.107 -3.842 12.799 1.00 63.54 H new ATOM 1471 N ILE A 104 6.906 -5.480 13.786 1.00 3.41 N ATOM 1472 CA ILE A 104 6.510 -6.432 14.824 1.00 72.44 C ATOM 1473 C ILE A 104 7.682 -6.637 15.768 1.00 20.11 C ATOM 1474 O ILE A 104 7.814 -5.876 16.749 1.00 2.04 O ATOM 1475 CB ILE A 104 5.979 -7.748 14.202 1.00 51.22 C ATOM 1476 CG1 ILE A 104 5.013 -7.454 13.039 1.00 74.51 C ATOM 1477 CG2 ILE A 104 5.321 -8.614 15.294 1.00 55.01 C ATOM 1478 CD1 ILE A 104 4.342 -8.686 12.425 1.00 24.41 C ATOM 0 H ILE A 104 7.460 -5.916 13.049 1.00 3.41 H new ATOM 0 HA ILE A 104 5.678 -6.035 15.406 1.00 72.44 H new ATOM 0 HB ILE A 104 6.815 -8.310 13.785 1.00 51.22 H new ATOM 0 HG12 ILE A 104 4.237 -6.776 13.394 1.00 74.51 H new ATOM 0 HG13 ILE A 104 5.561 -6.930 12.256 1.00 74.51 H new ATOM 0 HG21 ILE A 104 4.949 -9.538 14.851 1.00 55.01 H new ATOM 0 HG22 ILE A 104 6.056 -8.850 16.063 1.00 55.01 H new ATOM 0 HG23 ILE A 104 4.491 -8.067 15.741 1.00 55.01 H new ATOM 0 HD11 ILE A 104 3.682 -8.375 11.615 1.00 24.41 H new ATOM 0 HD12 ILE A 104 5.105 -9.359 12.033 1.00 24.41 H new ATOM 0 HD13 ILE A 104 3.761 -9.202 13.189 1.00 24.41 H new TER 1489 ILE A 104