USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 820 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 43 THR OG1 : rot 180:sc= 0.883 USER MOD Set 1.2: A 46 ASN : amide:sc= 1.04 K(o=1.9,f=-0.02) USER MOD Single : A 18 ASN : amide:sc= -0.249 K(o=-0.25,f=-2!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -159:sc= -4.33! (180deg=-5.42!) USER MOD Single : A 32 THR OG1 : rot 73:sc= 0.119 USER MOD Single : A 33 LYS NZ :NH3+ 150:sc= 1.1 (180deg=0.679) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.4 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= -0.317 (180deg=-0.317) USER MOD Single : A 45 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0863) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 159:sc= 1.24 (180deg=1.09) USER MOD Single : A 59 ASN : amide:sc= -3.19! C(o=-3.2!,f=-5.1!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -92:sc= 0.932 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -117:sc= 0.523 USER MOD Single : A 72 SER OG : rot 74:sc= 1.24 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -163:sc= 0.0765 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 176:sc= 1.29 (180deg=1.09) USER MOD Single : A 80 LYS NZ :NH3+ -169:sc= 1.1 (180deg=0.81) USER MOD Single : A 82 THR OG1 : rot 16:sc= 1.27 USER MOD Single : A 86 THR OG1 : rot 74:sc= 0.54 USER MOD Single : A 87 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0644) USER MOD Single : A 88 LYS NZ :NH3+ -114:sc= 0.516 (180deg=-0.0473) USER MOD Single : A 100 GLN : amide:sc= 1.21 K(o=1.2,f=0) USER MOD Single : A 101 SER OG : rot 92:sc= 1.22 USER MOD Single : A 102 LYS NZ :NH3+ 154:sc= 1.04 (180deg=-0.845) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.0037) USER MOD Single : A 113 THR OG1 : rot 85:sc= 1.25 USER MOD Single : A 115 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0784) USER MOD Single : A 118 LYS NZ :NH3+ 159:sc= 1.26 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 18 1.778 -9.513 6.109 1.00 0.00 N ATOM 2 CA ASN A 18 0.541 -9.789 5.413 1.00 0.00 C ATOM 3 C ASN A 18 -0.614 -9.511 6.356 1.00 0.00 C ATOM 4 O ASN A 18 -0.853 -10.257 7.303 1.00 0.00 O ATOM 5 CB ASN A 18 0.478 -11.234 4.907 1.00 0.00 C ATOM 6 CG ASN A 18 -0.716 -11.455 3.993 1.00 0.00 C ATOM 7 OD1 ASN A 18 -1.156 -10.540 3.300 1.00 0.00 O ATOM 8 ND2 ASN A 18 -1.248 -12.668 3.981 1.00 0.00 N ATOM 0 HA ASN A 18 0.481 -9.144 4.536 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.396 -11.473 4.371 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.418 -11.915 5.756 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.050 -12.867 3.383 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.856 -13.403 4.570 1.00 0.00 H new ATOM 15 N TRP A 19 -1.265 -8.389 6.120 1.00 0.00 N ATOM 16 CA TRP A 19 -2.381 -7.929 6.943 1.00 0.00 C ATOM 17 C TRP A 19 -3.471 -8.989 7.115 1.00 0.00 C ATOM 18 O TRP A 19 -3.738 -9.785 6.211 1.00 0.00 O ATOM 19 CB TRP A 19 -2.982 -6.646 6.349 1.00 0.00 C ATOM 20 CG TRP A 19 -3.093 -6.641 4.845 1.00 0.00 C ATOM 21 CD1 TRP A 19 -3.273 -7.717 4.019 1.00 0.00 C ATOM 22 CD2 TRP A 19 -3.042 -5.490 3.990 1.00 0.00 C ATOM 23 NE1 TRP A 19 -3.323 -7.306 2.713 1.00 0.00 N ATOM 24 CE2 TRP A 19 -3.187 -5.946 2.667 1.00 0.00 C ATOM 25 CE3 TRP A 19 -2.888 -4.117 4.213 1.00 0.00 C ATOM 26 CZ2 TRP A 19 -3.177 -5.081 1.577 1.00 0.00 C ATOM 27 CZ3 TRP A 19 -2.879 -3.262 3.129 1.00 0.00 C ATOM 28 CH2 TRP A 19 -3.025 -3.747 1.825 1.00 0.00 C ATOM 0 H TRP A 19 -1.038 -7.762 5.348 1.00 0.00 H new ATOM 0 HA TRP A 19 -1.979 -7.725 7.935 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -3.974 -6.495 6.774 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -2.371 -5.798 6.658 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -3.363 -8.742 4.349 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -3.442 -7.916 1.905 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -2.778 -3.733 5.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -3.286 -5.452 0.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -2.757 -2.201 3.290 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -3.017 -3.052 0.998 1.00 0.00 H new ATOM 39 N ASP A 20 -4.076 -8.994 8.298 1.00 0.00 N ATOM 40 CA ASP A 20 -5.191 -9.884 8.607 1.00 0.00 C ATOM 41 C ASP A 20 -6.360 -9.629 7.672 1.00 0.00 C ATOM 42 O ASP A 20 -6.591 -8.494 7.260 1.00 0.00 O ATOM 43 CB ASP A 20 -5.665 -9.672 10.048 1.00 0.00 C ATOM 44 CG ASP A 20 -4.678 -10.167 11.079 1.00 0.00 C ATOM 45 OD1 ASP A 20 -3.570 -9.604 11.168 1.00 0.00 O ATOM 46 OD2 ASP A 20 -5.017 -11.120 11.811 1.00 0.00 O ATOM 0 H ASP A 20 -3.808 -8.382 9.069 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.838 -10.908 8.480 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.848 -8.610 10.211 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.616 -10.185 10.190 1.00 0.00 H new ATOM 51 N ASP A 21 -7.113 -10.687 7.378 1.00 0.00 N ATOM 52 CA ASP A 21 -8.301 -10.601 6.525 1.00 0.00 C ATOM 53 C ASP A 21 -9.211 -9.472 6.979 1.00 0.00 C ATOM 54 O ASP A 21 -9.677 -8.655 6.183 1.00 0.00 O ATOM 55 CB ASP A 21 -9.077 -11.915 6.590 1.00 0.00 C ATOM 56 CG ASP A 21 -10.349 -11.883 5.770 1.00 0.00 C ATOM 57 OD1 ASP A 21 -10.264 -11.859 4.527 1.00 0.00 O ATOM 58 OD2 ASP A 21 -11.446 -11.891 6.368 1.00 0.00 O ATOM 0 H ASP A 21 -6.919 -11.627 7.723 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.974 -10.406 5.504 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.441 -12.726 6.235 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.324 -12.135 7.628 1.00 0.00 H new ATOM 63 N ALA A 22 -9.439 -9.442 8.277 1.00 0.00 N ATOM 64 CA ALA A 22 -10.288 -8.447 8.897 1.00 0.00 C ATOM 65 C ALA A 22 -9.581 -7.097 8.986 1.00 0.00 C ATOM 66 O ALA A 22 -10.193 -6.046 8.777 1.00 0.00 O ATOM 67 CB ALA A 22 -10.699 -8.933 10.274 1.00 0.00 C ATOM 0 H ALA A 22 -9.038 -10.111 8.934 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.177 -8.306 8.283 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.339 -8.188 10.747 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.244 -9.873 10.181 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.810 -9.088 10.885 1.00 0.00 H new ATOM 73 N ASP A 23 -8.288 -7.137 9.298 1.00 0.00 N ATOM 74 CA ASP A 23 -7.504 -5.923 9.507 1.00 0.00 C ATOM 75 C ASP A 23 -7.484 -5.045 8.265 1.00 0.00 C ATOM 76 O ASP A 23 -7.576 -3.822 8.377 1.00 0.00 O ATOM 77 CB ASP A 23 -6.073 -6.256 9.923 1.00 0.00 C ATOM 78 CG ASP A 23 -5.242 -5.005 10.134 1.00 0.00 C ATOM 79 OD1 ASP A 23 -5.427 -4.337 11.173 1.00 0.00 O ATOM 80 OD2 ASP A 23 -4.427 -4.671 9.251 1.00 0.00 O ATOM 0 H ASP A 23 -7.759 -8.002 9.412 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.988 -5.370 10.312 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.089 -6.841 10.842 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.607 -6.877 9.158 1.00 0.00 H new ATOM 85 N VAL A 24 -7.374 -5.671 7.091 1.00 0.00 N ATOM 86 CA VAL A 24 -7.352 -4.942 5.819 1.00 0.00 C ATOM 87 C VAL A 24 -8.475 -3.921 5.762 1.00 0.00 C ATOM 88 O VAL A 24 -8.232 -2.719 5.640 1.00 0.00 O ATOM 89 CB VAL A 24 -7.512 -5.882 4.602 1.00 0.00 C ATOM 90 CG1 VAL A 24 -7.341 -5.110 3.303 1.00 0.00 C ATOM 91 CG2 VAL A 24 -6.531 -7.036 4.665 1.00 0.00 C ATOM 0 H VAL A 24 -7.299 -6.684 6.994 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.380 -4.451 5.770 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.520 -6.296 4.632 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.457 -5.789 2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -8.095 -4.325 3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.348 -4.662 3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.669 -7.679 3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.512 -6.648 4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.705 -7.613 5.573 1.00 0.00 H new ATOM 101 N LYS A 25 -9.706 -4.403 5.872 1.00 0.00 N ATOM 102 CA LYS A 25 -10.863 -3.536 5.769 1.00 0.00 C ATOM 103 C LYS A 25 -10.912 -2.566 6.937 1.00 0.00 C ATOM 104 O LYS A 25 -11.144 -1.382 6.742 1.00 0.00 O ATOM 105 CB LYS A 25 -12.158 -4.342 5.706 1.00 0.00 C ATOM 106 CG LYS A 25 -13.373 -3.485 5.382 1.00 0.00 C ATOM 107 CD LYS A 25 -13.162 -2.707 4.090 1.00 0.00 C ATOM 108 CE LYS A 25 -14.236 -1.651 3.880 1.00 0.00 C ATOM 109 NZ LYS A 25 -14.003 -0.861 2.642 1.00 0.00 N ATOM 0 H LYS A 25 -9.924 -5.386 6.032 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.768 -2.970 4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.058 -5.122 4.951 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.316 -4.841 6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.255 -4.118 5.290 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.563 -2.792 6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.183 -2.229 4.110 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.162 -3.398 3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.212 -2.132 3.825 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.259 -0.981 4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.757 -0.152 2.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.083 -0.381 2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.007 -1.497 1.819 1.00 0.00 H new ATOM 123 N LYS A 26 -10.673 -3.069 8.144 1.00 0.00 N ATOM 124 CA LYS A 26 -10.722 -2.237 9.343 1.00 0.00 C ATOM 125 C LYS A 26 -9.804 -1.021 9.204 1.00 0.00 C ATOM 126 O LYS A 26 -10.173 0.099 9.554 1.00 0.00 O ATOM 127 CB LYS A 26 -10.317 -3.047 10.580 1.00 0.00 C ATOM 128 CG LYS A 26 -10.474 -2.270 11.878 1.00 0.00 C ATOM 129 CD LYS A 26 -9.907 -3.012 13.084 1.00 0.00 C ATOM 130 CE LYS A 26 -8.379 -3.034 13.085 1.00 0.00 C ATOM 131 NZ LYS A 26 -7.826 -3.997 12.097 1.00 0.00 N ATOM 0 H LYS A 26 -10.444 -4.047 8.319 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.748 -1.890 9.463 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.923 -3.952 10.629 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.279 -3.364 10.476 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.974 -1.306 11.782 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.531 -2.065 12.048 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.262 -2.538 13.999 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.283 -4.035 13.088 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.004 -2.035 12.864 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.023 -3.295 14.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.851 -4.245 12.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.411 -4.857 12.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.829 -3.564 11.151 1.00 0.00 H new ATOM 145 N ARG A 27 -8.613 -1.257 8.675 1.00 0.00 N ATOM 146 CA ARG A 27 -7.613 -0.215 8.536 1.00 0.00 C ATOM 147 C ARG A 27 -7.888 0.671 7.318 1.00 0.00 C ATOM 148 O ARG A 27 -7.862 1.901 7.427 1.00 0.00 O ATOM 149 CB ARG A 27 -6.223 -0.854 8.469 1.00 0.00 C ATOM 150 CG ARG A 27 -5.131 0.073 7.980 1.00 0.00 C ATOM 151 CD ARG A 27 -3.755 -0.419 8.391 1.00 0.00 C ATOM 152 NE ARG A 27 -3.616 -1.872 8.287 1.00 0.00 N ATOM 153 CZ ARG A 27 -2.624 -2.482 7.647 1.00 0.00 C ATOM 154 NH1 ARG A 27 -1.734 -1.773 6.962 1.00 0.00 N ATOM 155 NH2 ARG A 27 -2.532 -3.802 7.688 1.00 0.00 N ATOM 0 H ARG A 27 -8.316 -2.171 8.333 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.659 0.438 9.408 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.956 -1.219 9.461 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.267 -1.722 7.811 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.180 0.153 6.894 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.295 1.073 8.381 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.002 0.059 7.765 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.557 -0.113 9.418 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.325 -2.453 8.734 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.810 -0.757 6.926 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.974 -2.245 6.472 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.220 -4.345 8.209 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.773 -4.276 7.199 1.00 0.00 H new ATOM 169 N TRP A 28 -8.166 0.054 6.171 1.00 0.00 N ATOM 170 CA TRP A 28 -8.481 0.798 4.948 1.00 0.00 C ATOM 171 C TRP A 28 -9.713 1.678 5.144 1.00 0.00 C ATOM 172 O TRP A 28 -9.728 2.851 4.764 1.00 0.00 O ATOM 173 CB TRP A 28 -8.739 -0.162 3.783 1.00 0.00 C ATOM 174 CG TRP A 28 -7.511 -0.563 3.020 1.00 0.00 C ATOM 175 CD1 TRP A 28 -6.206 -0.355 3.368 1.00 0.00 C ATOM 176 CD2 TRP A 28 -7.487 -1.247 1.764 1.00 0.00 C ATOM 177 NE1 TRP A 28 -5.375 -0.861 2.396 1.00 0.00 N ATOM 178 CE2 TRP A 28 -6.138 -1.415 1.402 1.00 0.00 C ATOM 179 CE3 TRP A 28 -8.480 -1.733 0.907 1.00 0.00 C ATOM 180 CZ2 TRP A 28 -5.757 -2.049 0.221 1.00 0.00 C ATOM 181 CZ3 TRP A 28 -8.102 -2.362 -0.264 1.00 0.00 C ATOM 182 CH2 TRP A 28 -6.750 -2.515 -0.598 1.00 0.00 C ATOM 0 H TRP A 28 -8.180 -0.960 6.061 1.00 0.00 H new ATOM 0 HA TRP A 28 -7.622 1.428 4.720 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -9.220 -1.060 4.170 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -9.443 0.305 3.094 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.876 0.134 4.272 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.356 -0.829 2.412 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -9.525 -1.619 1.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.716 -2.168 -0.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -8.861 -2.742 -0.932 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -6.486 -3.011 -1.520 1.00 0.00 H new ATOM 193 N ASP A 29 -10.739 1.095 5.745 1.00 0.00 N ATOM 194 CA ASP A 29 -12.001 1.786 5.969 1.00 0.00 C ATOM 195 C ASP A 29 -11.811 2.955 6.924 1.00 0.00 C ATOM 196 O ASP A 29 -12.328 4.049 6.693 1.00 0.00 O ATOM 197 CB ASP A 29 -13.048 0.819 6.517 1.00 0.00 C ATOM 198 CG ASP A 29 -14.409 1.459 6.633 1.00 0.00 C ATOM 199 OD1 ASP A 29 -14.947 1.892 5.598 1.00 0.00 O ATOM 200 OD2 ASP A 29 -14.951 1.524 7.753 1.00 0.00 O ATOM 0 H ASP A 29 -10.722 0.135 6.090 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.352 2.176 5.013 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.112 -0.052 5.865 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -12.732 0.461 7.497 1.00 0.00 H new ATOM 205 N ALA A 30 -11.057 2.719 7.993 1.00 0.00 N ATOM 206 CA ALA A 30 -10.751 3.757 8.971 1.00 0.00 C ATOM 207 C ALA A 30 -10.137 4.983 8.300 1.00 0.00 C ATOM 208 O ALA A 30 -10.510 6.110 8.610 1.00 0.00 O ATOM 209 CB ALA A 30 -9.819 3.222 10.047 1.00 0.00 C ATOM 0 H ALA A 30 -10.644 1.811 8.205 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.688 4.060 9.439 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.603 4.012 10.767 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.296 2.386 10.558 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.889 2.885 9.588 1.00 0.00 H new ATOM 215 N PHE A 31 -9.198 4.753 7.380 1.00 0.00 N ATOM 216 CA PHE A 31 -8.560 5.839 6.634 1.00 0.00 C ATOM 217 C PHE A 31 -9.588 6.686 5.887 1.00 0.00 C ATOM 218 O PHE A 31 -9.446 7.901 5.785 1.00 0.00 O ATOM 219 CB PHE A 31 -7.545 5.292 5.622 1.00 0.00 C ATOM 220 CG PHE A 31 -6.326 4.656 6.230 1.00 0.00 C ATOM 221 CD1 PHE A 31 -5.752 5.171 7.383 1.00 0.00 C ATOM 222 CD2 PHE A 31 -5.739 3.555 5.630 1.00 0.00 C ATOM 223 CE1 PHE A 31 -4.621 4.594 7.926 1.00 0.00 C ATOM 224 CE2 PHE A 31 -4.609 2.974 6.171 1.00 0.00 C ATOM 225 CZ PHE A 31 -4.048 3.495 7.318 1.00 0.00 C ATOM 0 H PHE A 31 -8.862 3.822 7.133 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.047 6.462 7.367 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.044 4.557 4.990 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.226 6.107 4.972 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.194 6.032 7.861 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.170 3.146 4.728 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.185 5.002 8.826 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.165 2.112 5.696 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.162 3.044 7.740 1.00 0.00 H new ATOM 235 N THR A 32 -10.626 6.039 5.378 1.00 0.00 N ATOM 236 CA THR A 32 -11.599 6.716 4.535 1.00 0.00 C ATOM 237 C THR A 32 -12.705 7.383 5.362 1.00 0.00 C ATOM 238 O THR A 32 -13.127 8.502 5.066 1.00 0.00 O ATOM 239 CB THR A 32 -12.228 5.728 3.531 1.00 0.00 C ATOM 240 OG1 THR A 32 -11.196 4.958 2.889 1.00 0.00 O ATOM 241 CG2 THR A 32 -13.032 6.471 2.474 1.00 0.00 C ATOM 0 H THR A 32 -10.816 5.049 5.534 1.00 0.00 H new ATOM 0 HA THR A 32 -11.065 7.495 3.991 1.00 0.00 H new ATOM 0 HB THR A 32 -12.896 5.064 4.079 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.831 4.306 3.524 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.466 5.754 1.777 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.829 7.038 2.955 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.377 7.153 1.932 1.00 0.00 H new ATOM 249 N LYS A 33 -13.175 6.693 6.395 1.00 0.00 N ATOM 250 CA LYS A 33 -14.270 7.198 7.210 1.00 0.00 C ATOM 251 C LYS A 33 -13.781 8.132 8.310 1.00 0.00 C ATOM 252 O LYS A 33 -14.148 9.305 8.346 1.00 0.00 O ATOM 253 CB LYS A 33 -15.056 6.037 7.819 1.00 0.00 C ATOM 254 CG LYS A 33 -15.943 5.319 6.821 1.00 0.00 C ATOM 255 CD LYS A 33 -16.717 4.189 7.474 1.00 0.00 C ATOM 256 CE LYS A 33 -17.746 3.595 6.526 1.00 0.00 C ATOM 257 NZ LYS A 33 -17.142 3.188 5.231 1.00 0.00 N ATOM 0 H LYS A 33 -12.815 5.784 6.686 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.923 7.775 6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -14.356 5.322 8.252 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.672 6.414 8.635 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.640 6.029 6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -15.332 4.922 6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -16.025 3.411 7.795 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.217 4.559 8.369 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -18.214 2.730 6.995 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.535 4.325 6.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -17.671 2.383 4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -17.180 3.985 4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -16.151 2.910 5.382 1.00 0.00 H new ATOM 271 N PHE A 34 -12.946 7.615 9.198 1.00 0.00 N ATOM 272 CA PHE A 34 -12.508 8.378 10.360 1.00 0.00 C ATOM 273 C PHE A 34 -11.315 9.259 10.001 1.00 0.00 C ATOM 274 O PHE A 34 -11.187 10.385 10.482 1.00 0.00 O ATOM 275 CB PHE A 34 -12.145 7.424 11.504 1.00 0.00 C ATOM 276 CG PHE A 34 -11.866 8.115 12.810 1.00 0.00 C ATOM 277 CD1 PHE A 34 -12.909 8.548 13.613 1.00 0.00 C ATOM 278 CD2 PHE A 34 -10.563 8.325 13.236 1.00 0.00 C ATOM 279 CE1 PHE A 34 -12.657 9.178 14.819 1.00 0.00 C ATOM 280 CE2 PHE A 34 -10.306 8.954 14.439 1.00 0.00 C ATOM 281 CZ PHE A 34 -11.354 9.382 15.231 1.00 0.00 C ATOM 0 H PHE A 34 -12.558 6.673 9.138 1.00 0.00 H new ATOM 0 HA PHE A 34 -13.324 9.024 10.685 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -12.962 6.716 11.646 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -11.268 6.845 11.216 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -13.929 8.392 13.294 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.740 7.993 12.620 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -13.478 9.510 15.437 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.287 9.111 14.760 1.00 0.00 H new ATOM 0 HZ PHE A 34 -11.155 9.875 16.171 1.00 0.00 H new ATOM 291 N GLY A 35 -10.455 8.737 9.149 1.00 0.00 N ATOM 292 CA GLY A 35 -9.254 9.442 8.765 1.00 0.00 C ATOM 293 C GLY A 35 -8.044 8.542 8.852 1.00 0.00 C ATOM 294 O GLY A 35 -7.138 8.623 8.026 1.00 0.00 O ATOM 0 H GLY A 35 -10.569 7.824 8.710 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.359 9.818 7.747 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.114 10.308 9.412 1.00 0.00 H new ATOM 298 N ALA A 36 -8.055 7.663 9.850 1.00 0.00 N ATOM 299 CA ALA A 36 -6.979 6.720 10.081 1.00 0.00 C ATOM 300 C ALA A 36 -7.304 5.883 11.300 1.00 0.00 C ATOM 301 O ALA A 36 -8.062 6.313 12.169 1.00 0.00 O ATOM 302 CB ALA A 36 -5.650 7.435 10.279 1.00 0.00 C ATOM 0 H ALA A 36 -8.818 7.589 10.522 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.884 6.079 9.205 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.863 6.700 10.450 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.414 8.018 9.389 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.719 8.100 11.140 1.00 0.00 H new ATOM 308 N ALA A 37 -6.761 4.683 11.353 1.00 0.00 N ATOM 309 CA ALA A 37 -6.906 3.845 12.528 1.00 0.00 C ATOM 310 C ALA A 37 -5.838 4.219 13.547 1.00 0.00 C ATOM 311 O ALA A 37 -6.076 4.223 14.753 1.00 0.00 O ATOM 312 CB ALA A 37 -6.811 2.383 12.138 1.00 0.00 C ATOM 0 H ALA A 37 -6.216 4.266 10.598 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.885 4.005 12.979 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.921 1.761 13.027 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.602 2.144 11.428 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.841 2.191 11.679 1.00 0.00 H new ATOM 318 N THR A 38 -4.655 4.519 13.029 1.00 0.00 N ATOM 319 CA THR A 38 -3.570 5.088 13.809 1.00 0.00 C ATOM 320 C THR A 38 -2.875 6.159 12.973 1.00 0.00 C ATOM 321 O THR A 38 -3.252 7.328 13.022 1.00 0.00 O ATOM 322 CB THR A 38 -2.547 4.012 14.244 1.00 0.00 C ATOM 323 OG1 THR A 38 -2.223 3.156 13.139 1.00 0.00 O ATOM 324 CG2 THR A 38 -3.087 3.173 15.387 1.00 0.00 C ATOM 0 H THR A 38 -4.422 4.372 12.047 1.00 0.00 H new ATOM 0 HA THR A 38 -3.987 5.523 14.717 1.00 0.00 H new ATOM 0 HB THR A 38 -1.648 4.528 14.582 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.574 2.481 13.427 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.346 2.425 15.671 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.300 3.816 16.241 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.003 2.674 15.071 1.00 0.00 H new ATOM 332 N ALA A 39 -1.883 5.722 12.192 1.00 0.00 N ATOM 333 CA ALA A 39 -1.231 6.534 11.160 1.00 0.00 C ATOM 334 C ALA A 39 -0.984 7.980 11.584 1.00 0.00 C ATOM 335 O ALA A 39 -1.327 8.917 10.856 1.00 0.00 O ATOM 336 CB ALA A 39 -2.056 6.490 9.885 1.00 0.00 C ATOM 0 H ALA A 39 -1.504 4.778 12.260 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.246 6.100 10.990 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.572 7.094 9.117 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.137 5.459 9.539 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.052 6.885 10.083 1.00 0.00 H new ATOM 342 N THR A 40 -0.390 8.157 12.752 1.00 0.00 N ATOM 343 CA THR A 40 -0.025 9.483 13.217 1.00 0.00 C ATOM 344 C THR A 40 1.043 10.073 12.295 1.00 0.00 C ATOM 345 O THR A 40 0.831 11.112 11.666 1.00 0.00 O ATOM 346 CB THR A 40 0.491 9.431 14.668 1.00 0.00 C ATOM 347 OG1 THR A 40 -0.426 8.675 15.477 1.00 0.00 O ATOM 348 CG2 THR A 40 0.646 10.831 15.246 1.00 0.00 C ATOM 0 H THR A 40 -0.151 7.401 13.394 1.00 0.00 H new ATOM 0 HA THR A 40 -0.910 10.119 13.196 1.00 0.00 H new ATOM 0 HB THR A 40 1.470 8.951 14.667 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.097 8.641 16.399 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.011 10.763 16.271 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.357 11.397 14.644 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.319 11.337 15.238 1.00 0.00 H new ATOM 356 N GLU A 41 2.177 9.386 12.207 1.00 0.00 N ATOM 357 CA GLU A 41 3.237 9.737 11.271 1.00 0.00 C ATOM 358 C GLU A 41 3.909 8.467 10.776 1.00 0.00 C ATOM 359 O GLU A 41 4.001 7.486 11.513 1.00 0.00 O ATOM 360 CB GLU A 41 4.296 10.632 11.921 1.00 0.00 C ATOM 361 CG GLU A 41 3.808 12.006 12.339 1.00 0.00 C ATOM 362 CD GLU A 41 4.943 12.874 12.836 1.00 0.00 C ATOM 363 OE1 GLU A 41 5.336 12.731 14.011 1.00 0.00 O ATOM 364 OE2 GLU A 41 5.472 13.680 12.039 1.00 0.00 O ATOM 0 H GLU A 41 2.386 8.570 12.783 1.00 0.00 H new ATOM 0 HA GLU A 41 2.784 10.285 10.445 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.692 10.121 12.799 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.124 10.754 11.223 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.321 12.492 11.494 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.058 11.903 13.123 1.00 0.00 H new ATOM 371 N MET A 42 4.370 8.481 9.537 1.00 0.00 N ATOM 372 CA MET A 42 5.093 7.347 8.983 1.00 0.00 C ATOM 373 C MET A 42 6.183 7.845 8.045 1.00 0.00 C ATOM 374 O MET A 42 5.992 8.836 7.336 1.00 0.00 O ATOM 375 CB MET A 42 4.132 6.409 8.245 1.00 0.00 C ATOM 376 CG MET A 42 4.742 5.061 7.891 1.00 0.00 C ATOM 377 SD MET A 42 3.539 3.916 7.186 1.00 0.00 S ATOM 378 CE MET A 42 4.501 2.408 7.109 1.00 0.00 C ATOM 0 H MET A 42 4.257 9.265 8.895 1.00 0.00 H new ATOM 0 HA MET A 42 5.555 6.786 9.796 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.250 6.247 8.864 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.794 6.896 7.330 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.555 5.210 7.181 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.178 4.618 8.786 1.00 0.00 H new ATOM 0 HE1 MET A 42 3.890 1.607 6.693 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.374 2.565 6.475 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.826 2.132 8.112 1.00 0.00 H new ATOM 388 N THR A 43 7.336 7.187 8.073 1.00 0.00 N ATOM 389 CA THR A 43 8.452 7.563 7.222 1.00 0.00 C ATOM 390 C THR A 43 8.522 6.667 5.992 1.00 0.00 C ATOM 391 O THR A 43 7.952 5.570 5.981 1.00 0.00 O ATOM 392 CB THR A 43 9.785 7.496 7.995 1.00 0.00 C ATOM 393 OG1 THR A 43 9.881 6.250 8.700 1.00 0.00 O ATOM 394 CG2 THR A 43 9.902 8.653 8.979 1.00 0.00 C ATOM 0 H THR A 43 7.520 6.388 8.679 1.00 0.00 H new ATOM 0 HA THR A 43 8.288 8.591 6.899 1.00 0.00 H new ATOM 0 HB THR A 43 10.600 7.570 7.275 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.731 6.214 9.187 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.850 8.583 9.512 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.859 9.598 8.437 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.080 8.607 9.694 1.00 0.00 H new ATOM 402 N GLY A 44 9.219 7.143 4.968 1.00 0.00 N ATOM 403 CA GLY A 44 9.318 6.418 3.719 1.00 0.00 C ATOM 404 C GLY A 44 9.884 5.024 3.886 1.00 0.00 C ATOM 405 O GLY A 44 9.280 4.058 3.434 1.00 0.00 O ATOM 0 H GLY A 44 9.723 8.030 4.983 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.329 6.350 3.265 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.948 6.979 3.029 1.00 0.00 H new ATOM 409 N LYS A 45 11.024 4.912 4.567 1.00 0.00 N ATOM 410 CA LYS A 45 11.704 3.629 4.725 1.00 0.00 C ATOM 411 C LYS A 45 10.784 2.562 5.316 1.00 0.00 C ATOM 412 O LYS A 45 10.885 1.386 4.970 1.00 0.00 O ATOM 413 CB LYS A 45 12.939 3.786 5.611 1.00 0.00 C ATOM 414 CG LYS A 45 14.042 4.628 4.988 1.00 0.00 C ATOM 415 CD LYS A 45 15.290 4.656 5.861 1.00 0.00 C ATOM 416 CE LYS A 45 15.016 5.267 7.228 1.00 0.00 C ATOM 417 NZ LYS A 45 14.611 6.696 7.134 1.00 0.00 N ATOM 0 H LYS A 45 11.496 5.696 5.018 1.00 0.00 H new ATOM 0 HA LYS A 45 12.005 3.301 3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.640 4.238 6.557 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.336 2.798 5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 45 14.294 4.229 4.006 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.681 5.645 4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.667 3.641 5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.071 5.227 5.359 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.230 4.700 7.726 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.910 5.184 7.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.583 7.112 8.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.298 7.214 6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.668 6.762 6.700 1.00 0.00 H new ATOM 431 N ASN A 46 9.880 2.975 6.197 1.00 0.00 N ATOM 432 CA ASN A 46 8.961 2.037 6.835 1.00 0.00 C ATOM 433 C ASN A 46 7.882 1.582 5.864 1.00 0.00 C ATOM 434 O ASN A 46 7.373 0.467 5.970 1.00 0.00 O ATOM 435 CB ASN A 46 8.318 2.650 8.082 1.00 0.00 C ATOM 436 CG ASN A 46 9.215 2.570 9.305 1.00 0.00 C ATOM 437 OD1 ASN A 46 9.209 1.573 10.032 1.00 0.00 O ATOM 438 ND2 ASN A 46 9.979 3.620 9.555 1.00 0.00 N ATOM 0 H ASN A 46 9.763 3.946 6.485 1.00 0.00 H new ATOM 0 HA ASN A 46 9.545 1.168 7.140 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.074 3.694 7.884 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.379 2.137 8.291 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.590 3.623 10.372 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.957 4.427 8.931 1.00 0.00 H new ATOM 445 N PHE A 47 7.542 2.437 4.908 1.00 0.00 N ATOM 446 CA PHE A 47 6.509 2.104 3.939 1.00 0.00 C ATOM 447 C PHE A 47 7.118 1.364 2.752 1.00 0.00 C ATOM 448 O PHE A 47 6.537 0.404 2.249 1.00 0.00 O ATOM 449 CB PHE A 47 5.766 3.356 3.473 1.00 0.00 C ATOM 450 CG PHE A 47 4.426 3.046 2.870 1.00 0.00 C ATOM 451 CD1 PHE A 47 3.401 2.551 3.662 1.00 0.00 C ATOM 452 CD2 PHE A 47 4.189 3.241 1.522 1.00 0.00 C ATOM 453 CE1 PHE A 47 2.166 2.254 3.119 1.00 0.00 C ATOM 454 CE2 PHE A 47 2.956 2.946 0.976 1.00 0.00 C ATOM 455 CZ PHE A 47 1.944 2.453 1.773 1.00 0.00 C ATOM 0 H PHE A 47 7.963 3.358 4.784 1.00 0.00 H new ATOM 0 HA PHE A 47 5.785 1.450 4.424 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.632 4.029 4.319 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.376 3.883 2.740 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.570 2.396 4.717 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.975 3.628 0.891 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.377 1.867 3.747 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.783 3.102 -0.079 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.980 2.223 1.344 1.00 0.00 H new ATOM 465 N ASP A 48 8.305 1.795 2.321 1.00 0.00 N ATOM 466 CA ASP A 48 9.053 1.076 1.293 1.00 0.00 C ATOM 467 C ASP A 48 9.387 -0.326 1.787 1.00 0.00 C ATOM 468 O ASP A 48 9.604 -1.243 1.002 1.00 0.00 O ATOM 469 CB ASP A 48 10.353 1.809 0.943 1.00 0.00 C ATOM 470 CG ASP A 48 10.150 3.056 0.103 1.00 0.00 C ATOM 471 OD1 ASP A 48 10.094 2.937 -1.140 1.00 0.00 O ATOM 472 OD2 ASP A 48 10.084 4.163 0.678 1.00 0.00 O ATOM 0 H ASP A 48 8.766 2.636 2.668 1.00 0.00 H new ATOM 0 HA ASP A 48 8.432 1.020 0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.863 2.084 1.866 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.011 1.125 0.407 1.00 0.00 H new ATOM 477 N LYS A 49 9.409 -0.472 3.104 1.00 0.00 N ATOM 478 CA LYS A 49 9.674 -1.747 3.755 1.00 0.00 C ATOM 479 C LYS A 49 8.515 -2.699 3.499 1.00 0.00 C ATOM 480 O LYS A 49 8.711 -3.836 3.067 1.00 0.00 O ATOM 481 CB LYS A 49 9.863 -1.507 5.254 1.00 0.00 C ATOM 482 CG LYS A 49 10.246 -2.728 6.069 1.00 0.00 C ATOM 483 CD LYS A 49 10.624 -2.308 7.481 1.00 0.00 C ATOM 484 CE LYS A 49 11.083 -3.476 8.335 1.00 0.00 C ATOM 485 NZ LYS A 49 11.703 -3.001 9.603 1.00 0.00 N ATOM 0 H LYS A 49 9.242 0.295 3.755 1.00 0.00 H new ATOM 0 HA LYS A 49 10.581 -2.197 3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.632 -0.747 5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.937 -1.098 5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.414 -3.432 6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.082 -3.244 5.597 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.418 -1.563 7.434 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.767 -1.831 7.956 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.234 -4.121 8.561 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.801 -4.078 7.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.008 -3.819 10.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.527 -2.405 9.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.008 -2.447 10.143 1.00 0.00 H new ATOM 499 N TRP A 50 7.306 -2.210 3.753 1.00 0.00 N ATOM 500 CA TRP A 50 6.090 -2.953 3.453 1.00 0.00 C ATOM 501 C TRP A 50 5.985 -3.217 1.955 1.00 0.00 C ATOM 502 O TRP A 50 5.584 -4.298 1.526 1.00 0.00 O ATOM 503 CB TRP A 50 4.867 -2.167 3.954 1.00 0.00 C ATOM 504 CG TRP A 50 3.551 -2.619 3.381 1.00 0.00 C ATOM 505 CD1 TRP A 50 2.787 -1.947 2.467 1.00 0.00 C ATOM 506 CD2 TRP A 50 2.842 -3.831 3.679 1.00 0.00 C ATOM 507 NE1 TRP A 50 1.648 -2.661 2.184 1.00 0.00 N ATOM 508 CE2 TRP A 50 1.660 -3.822 2.911 1.00 0.00 C ATOM 509 CE3 TRP A 50 3.088 -4.921 4.518 1.00 0.00 C ATOM 510 CZ2 TRP A 50 0.732 -4.859 2.956 1.00 0.00 C ATOM 511 CZ3 TRP A 50 2.166 -5.950 4.560 1.00 0.00 C ATOM 512 CH2 TRP A 50 1.001 -5.912 3.784 1.00 0.00 C ATOM 0 H TRP A 50 7.143 -1.293 4.170 1.00 0.00 H new ATOM 0 HA TRP A 50 6.123 -3.915 3.964 1.00 0.00 H new ATOM 0 HB2 TRP A 50 4.821 -2.246 5.040 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.008 -1.112 3.717 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.042 -0.993 2.031 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.913 -2.373 1.538 1.00 0.00 H new ATOM 0 HE3 TRP A 50 3.982 -4.959 5.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.167 -4.832 2.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 2.347 -6.799 5.203 1.00 0.00 H new ATOM 0 HH2 TRP A 50 0.301 -6.732 3.841 1.00 0.00 H new ATOM 523 N LEU A 51 6.381 -2.233 1.163 1.00 0.00 N ATOM 524 CA LEU A 51 6.273 -2.337 -0.288 1.00 0.00 C ATOM 525 C LEU A 51 7.269 -3.347 -0.854 1.00 0.00 C ATOM 526 O LEU A 51 6.931 -4.141 -1.738 1.00 0.00 O ATOM 527 CB LEU A 51 6.477 -0.965 -0.938 1.00 0.00 C ATOM 528 CG LEU A 51 5.193 -0.214 -1.305 1.00 0.00 C ATOM 529 CD1 LEU A 51 4.420 -0.969 -2.374 1.00 0.00 C ATOM 530 CD2 LEU A 51 4.323 0.003 -0.077 1.00 0.00 C ATOM 0 H LEU A 51 6.779 -1.355 1.497 1.00 0.00 H new ATOM 0 HA LEU A 51 5.270 -2.694 -0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.060 -0.343 -0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.073 -1.095 -1.842 1.00 0.00 H new ATOM 0 HG LEU A 51 5.473 0.761 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.511 -0.420 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.038 -1.070 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.156 -1.959 -2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.417 0.538 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.054 -0.962 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.873 0.588 0.660 1.00 0.00 H new ATOM 542 N LYS A 52 8.490 -3.318 -0.340 1.00 0.00 N ATOM 543 CA LYS A 52 9.550 -4.189 -0.829 1.00 0.00 C ATOM 544 C LYS A 52 9.345 -5.627 -0.372 1.00 0.00 C ATOM 545 O LYS A 52 9.345 -6.547 -1.188 1.00 0.00 O ATOM 546 CB LYS A 52 10.922 -3.668 -0.365 1.00 0.00 C ATOM 547 CG LYS A 52 12.083 -4.633 -0.604 1.00 0.00 C ATOM 548 CD LYS A 52 12.344 -5.517 0.612 1.00 0.00 C ATOM 549 CE LYS A 52 13.291 -6.657 0.283 1.00 0.00 C ATOM 550 NZ LYS A 52 13.521 -7.547 1.453 1.00 0.00 N ATOM 0 H LYS A 52 8.772 -2.698 0.419 1.00 0.00 H new ATOM 0 HA LYS A 52 9.516 -4.180 -1.918 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.133 -2.731 -0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.869 -3.441 0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.863 -5.259 -1.468 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.983 -4.067 -0.842 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.765 -4.914 1.417 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.400 -5.922 0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.882 -7.241 -0.542 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.244 -6.250 -0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.860 -8.473 1.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.233 -7.120 2.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.630 -7.671 1.975 1.00 0.00 H new ATOM 564 N ASP A 53 9.150 -5.818 0.927 1.00 0.00 N ATOM 565 CA ASP A 53 9.175 -7.160 1.503 1.00 0.00 C ATOM 566 C ASP A 53 7.917 -7.945 1.144 1.00 0.00 C ATOM 567 O ASP A 53 7.917 -9.176 1.173 1.00 0.00 O ATOM 568 CB ASP A 53 9.361 -7.096 3.019 1.00 0.00 C ATOM 569 CG ASP A 53 10.276 -8.194 3.527 1.00 0.00 C ATOM 570 OD1 ASP A 53 11.474 -8.191 3.157 1.00 0.00 O ATOM 571 OD2 ASP A 53 9.816 -9.054 4.309 1.00 0.00 O ATOM 0 H ASP A 53 8.974 -5.070 1.597 1.00 0.00 H new ATOM 0 HA ASP A 53 10.027 -7.688 1.075 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.774 -6.125 3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.390 -7.179 3.507 1.00 0.00 H new ATOM 576 N ALA A 54 6.849 -7.234 0.807 1.00 0.00 N ATOM 577 CA ALA A 54 5.640 -7.879 0.315 1.00 0.00 C ATOM 578 C ALA A 54 5.847 -8.371 -1.116 1.00 0.00 C ATOM 579 O ALA A 54 5.242 -9.356 -1.541 1.00 0.00 O ATOM 580 CB ALA A 54 4.456 -6.934 0.387 1.00 0.00 C ATOM 0 H ALA A 54 6.795 -6.217 0.865 1.00 0.00 H new ATOM 0 HA ALA A 54 5.426 -8.738 0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.565 -7.438 0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.295 -6.630 1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.656 -6.053 -0.223 1.00 0.00 H new ATOM 586 N GLY A 55 6.710 -7.676 -1.849 1.00 0.00 N ATOM 587 CA GLY A 55 6.999 -8.051 -3.221 1.00 0.00 C ATOM 588 C GLY A 55 6.254 -7.197 -4.228 1.00 0.00 C ATOM 589 O GLY A 55 6.107 -7.580 -5.387 1.00 0.00 O ATOM 0 H GLY A 55 7.217 -6.856 -1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.071 -7.965 -3.399 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.734 -9.098 -3.371 1.00 0.00 H new ATOM 593 N VAL A 56 5.790 -6.030 -3.791 1.00 0.00 N ATOM 594 CA VAL A 56 5.029 -5.142 -4.659 1.00 0.00 C ATOM 595 C VAL A 56 5.946 -4.116 -5.321 1.00 0.00 C ATOM 596 O VAL A 56 5.880 -3.899 -6.530 1.00 0.00 O ATOM 597 CB VAL A 56 3.909 -4.410 -3.887 1.00 0.00 C ATOM 598 CG1 VAL A 56 3.074 -3.553 -4.829 1.00 0.00 C ATOM 599 CG2 VAL A 56 3.029 -5.408 -3.146 1.00 0.00 C ATOM 0 H VAL A 56 5.928 -5.679 -2.843 1.00 0.00 H new ATOM 0 HA VAL A 56 4.568 -5.763 -5.427 1.00 0.00 H new ATOM 0 HB VAL A 56 4.375 -3.752 -3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.292 -3.047 -4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.713 -2.811 -5.308 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.619 -4.187 -5.590 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.246 -4.873 -2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.575 -6.094 -3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.636 -5.972 -2.437 1.00 0.00 H new ATOM 609 N LEU A 57 6.825 -3.510 -4.532 1.00 0.00 N ATOM 610 CA LEU A 57 7.726 -2.487 -5.050 1.00 0.00 C ATOM 611 C LEU A 57 9.051 -3.110 -5.475 1.00 0.00 C ATOM 612 O LEU A 57 10.095 -2.459 -5.470 1.00 0.00 O ATOM 613 CB LEU A 57 7.987 -1.431 -3.979 1.00 0.00 C ATOM 614 CG LEU A 57 8.650 -0.149 -4.475 1.00 0.00 C ATOM 615 CD1 LEU A 57 7.601 0.871 -4.877 1.00 0.00 C ATOM 616 CD2 LEU A 57 9.579 0.408 -3.414 1.00 0.00 C ATOM 0 H LEU A 57 6.933 -3.707 -3.537 1.00 0.00 H new ATOM 0 HA LEU A 57 7.256 -2.021 -5.916 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.038 -1.172 -3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.616 -1.870 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 57 9.246 -0.381 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.092 1.779 -5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.982 0.461 -5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.974 1.107 -4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.045 1.322 -3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.009 0.629 -2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.352 -0.326 -3.185 1.00 0.00 H new ATOM 628 N ASP A 58 8.994 -4.363 -5.878 1.00 0.00 N ATOM 629 CA ASP A 58 10.174 -5.067 -6.341 1.00 0.00 C ATOM 630 C ASP A 58 9.757 -6.328 -7.068 1.00 0.00 C ATOM 631 O ASP A 58 9.905 -7.441 -6.567 1.00 0.00 O ATOM 632 CB ASP A 58 11.116 -5.400 -5.181 1.00 0.00 C ATOM 633 CG ASP A 58 12.463 -5.893 -5.665 1.00 0.00 C ATOM 634 OD1 ASP A 58 13.203 -5.098 -6.282 1.00 0.00 O ATOM 635 OD2 ASP A 58 12.791 -7.075 -5.433 1.00 0.00 O ATOM 0 H ASP A 58 8.138 -4.918 -5.894 1.00 0.00 H new ATOM 0 HA ASP A 58 10.719 -4.418 -7.027 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.256 -4.514 -4.562 1.00 0.00 H new ATOM 0 HB3 ASP A 58 10.658 -6.161 -4.549 1.00 0.00 H new ATOM 640 N ASN A 59 9.170 -6.129 -8.231 1.00 0.00 N ATOM 641 CA ASN A 59 8.710 -7.237 -9.051 1.00 0.00 C ATOM 642 C ASN A 59 9.673 -7.478 -10.211 1.00 0.00 C ATOM 643 O ASN A 59 10.377 -8.483 -10.234 1.00 0.00 O ATOM 644 CB ASN A 59 7.286 -6.963 -9.554 1.00 0.00 C ATOM 645 CG ASN A 59 6.756 -8.049 -10.474 1.00 0.00 C ATOM 646 OD1 ASN A 59 6.844 -7.937 -11.695 1.00 0.00 O ATOM 647 ND2 ASN A 59 6.203 -9.105 -9.897 1.00 0.00 N ATOM 0 H ASN A 59 8.999 -5.207 -8.633 1.00 0.00 H new ATOM 0 HA ASN A 59 8.687 -8.143 -8.446 1.00 0.00 H new ATOM 0 HB2 ASN A 59 6.618 -6.863 -8.698 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.272 -6.010 -10.082 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.831 -9.863 -10.470 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.149 -9.161 -8.880 1.00 0.00 H new ATOM 654 N LYS A 60 9.708 -6.539 -11.156 1.00 0.00 N ATOM 655 CA LYS A 60 10.616 -6.611 -12.307 1.00 0.00 C ATOM 656 C LYS A 60 10.373 -5.428 -13.230 1.00 0.00 C ATOM 657 O LYS A 60 11.300 -4.734 -13.643 1.00 0.00 O ATOM 658 CB LYS A 60 10.438 -7.932 -13.080 1.00 0.00 C ATOM 659 CG LYS A 60 9.071 -8.119 -13.719 1.00 0.00 C ATOM 660 CD LYS A 60 8.894 -9.520 -14.274 1.00 0.00 C ATOM 661 CE LYS A 60 7.501 -9.711 -14.849 1.00 0.00 C ATOM 662 NZ LYS A 60 7.273 -11.105 -15.307 1.00 0.00 N ATOM 0 H LYS A 60 9.113 -5.711 -11.149 1.00 0.00 H new ATOM 0 HA LYS A 60 11.640 -6.577 -11.935 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.198 -7.985 -13.860 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.621 -8.763 -12.399 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.294 -7.920 -12.980 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.942 -7.392 -14.521 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.638 -9.704 -15.049 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.068 -10.251 -13.485 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.759 -9.452 -14.094 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.357 -9.027 -15.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.311 -11.191 -15.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.964 -11.345 -16.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.384 -11.757 -14.504 1.00 0.00 H new ATOM 676 N ALA A 61 9.105 -5.211 -13.536 1.00 0.00 N ATOM 677 CA ALA A 61 8.685 -4.093 -14.374 1.00 0.00 C ATOM 678 C ALA A 61 8.651 -2.794 -13.579 1.00 0.00 C ATOM 679 O ALA A 61 8.619 -1.709 -14.157 1.00 0.00 O ATOM 680 CB ALA A 61 7.321 -4.381 -14.984 1.00 0.00 C ATOM 0 H ALA A 61 8.338 -5.801 -13.213 1.00 0.00 H new ATOM 0 HA ALA A 61 9.413 -3.974 -15.177 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.017 -3.540 -15.608 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.378 -5.283 -15.593 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.590 -4.526 -14.189 1.00 0.00 H new ATOM 686 N ILE A 62 8.674 -2.922 -12.255 1.00 0.00 N ATOM 687 CA ILE A 62 8.633 -1.771 -11.357 1.00 0.00 C ATOM 688 C ILE A 62 9.772 -0.804 -11.668 1.00 0.00 C ATOM 689 O ILE A 62 10.947 -1.132 -11.488 1.00 0.00 O ATOM 690 CB ILE A 62 8.726 -2.218 -9.881 1.00 0.00 C ATOM 691 CG1 ILE A 62 7.587 -3.183 -9.543 1.00 0.00 C ATOM 692 CG2 ILE A 62 8.703 -1.018 -8.943 1.00 0.00 C ATOM 693 CD1 ILE A 62 6.203 -2.605 -9.758 1.00 0.00 C ATOM 0 H ILE A 62 8.721 -3.821 -11.776 1.00 0.00 H new ATOM 0 HA ILE A 62 7.681 -1.264 -11.513 1.00 0.00 H new ATOM 0 HB ILE A 62 9.675 -2.735 -9.743 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.693 -4.081 -10.152 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.683 -3.491 -8.502 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.770 -1.362 -7.911 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.549 -0.367 -9.164 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.774 -0.465 -9.082 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.453 -3.351 -9.496 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.075 -1.724 -9.129 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.085 -2.323 -10.804 1.00 0.00 H new ATOM 705 N THR A 63 9.413 0.376 -12.145 1.00 0.00 N ATOM 706 CA THR A 63 10.391 1.380 -12.527 1.00 0.00 C ATOM 707 C THR A 63 10.917 2.130 -11.309 1.00 0.00 C ATOM 708 O THR A 63 10.565 1.819 -10.170 1.00 0.00 O ATOM 709 CB THR A 63 9.783 2.398 -13.513 1.00 0.00 C ATOM 710 OG1 THR A 63 8.581 2.958 -12.964 1.00 0.00 O ATOM 711 CG2 THR A 63 9.484 1.751 -14.855 1.00 0.00 C ATOM 0 H THR A 63 8.443 0.663 -12.278 1.00 0.00 H new ATOM 0 HA THR A 63 11.215 0.854 -13.009 1.00 0.00 H new ATOM 0 HB THR A 63 10.513 3.192 -13.671 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.810 2.430 -13.259 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.056 2.493 -15.529 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.407 1.360 -15.284 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.774 0.935 -14.716 1.00 0.00 H new ATOM 719 N GLY A 64 11.795 3.089 -11.557 1.00 0.00 N ATOM 720 CA GLY A 64 12.216 4.007 -10.521 1.00 0.00 C ATOM 721 C GLY A 64 11.689 5.392 -10.807 1.00 0.00 C ATOM 722 O GLY A 64 11.772 6.295 -9.974 1.00 0.00 O ATOM 0 H GLY A 64 12.227 3.248 -12.467 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.853 3.665 -9.552 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.304 4.029 -10.464 1.00 0.00 H new ATOM 726 N THR A 65 11.139 5.544 -12.003 1.00 0.00 N ATOM 727 CA THR A 65 10.586 6.807 -12.447 1.00 0.00 C ATOM 728 C THR A 65 9.177 7.002 -11.889 1.00 0.00 C ATOM 729 O THR A 65 8.920 7.951 -11.146 1.00 0.00 O ATOM 730 CB THR A 65 10.550 6.864 -13.986 1.00 0.00 C ATOM 731 OG1 THR A 65 11.847 6.535 -14.509 1.00 0.00 O ATOM 732 CG2 THR A 65 10.138 8.244 -14.473 1.00 0.00 C ATOM 0 H THR A 65 11.065 4.793 -12.690 1.00 0.00 H new ATOM 0 HA THR A 65 11.225 7.609 -12.076 1.00 0.00 H new ATOM 0 HB THR A 65 9.813 6.143 -14.340 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.823 6.570 -15.488 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.121 8.255 -15.563 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.145 8.483 -14.092 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.852 8.985 -14.114 1.00 0.00 H new ATOM 740 N MET A 66 8.277 6.083 -12.229 1.00 0.00 N ATOM 741 CA MET A 66 6.890 6.157 -11.782 1.00 0.00 C ATOM 742 C MET A 66 6.814 6.119 -10.262 1.00 0.00 C ATOM 743 O MET A 66 6.103 6.913 -9.645 1.00 0.00 O ATOM 744 CB MET A 66 6.063 5.011 -12.376 1.00 0.00 C ATOM 745 CG MET A 66 5.746 5.162 -13.859 1.00 0.00 C ATOM 746 SD MET A 66 7.222 5.237 -14.900 1.00 0.00 S ATOM 747 CE MET A 66 6.480 5.324 -16.528 1.00 0.00 C ATOM 0 H MET A 66 8.486 5.275 -12.815 1.00 0.00 H new ATOM 0 HA MET A 66 6.475 7.102 -12.132 1.00 0.00 H new ATOM 0 HB2 MET A 66 6.602 4.075 -12.226 1.00 0.00 H new ATOM 0 HB3 MET A 66 5.127 4.931 -11.824 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.126 4.324 -14.178 1.00 0.00 H new ATOM 0 HG3 MET A 66 5.158 6.068 -14.008 1.00 0.00 H new ATOM 0 HE1 MET A 66 7.264 5.376 -17.283 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.870 4.436 -16.698 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.853 6.213 -16.595 1.00 0.00 H new ATOM 757 N THR A 67 7.560 5.197 -9.667 1.00 0.00 N ATOM 758 CA THR A 67 7.594 5.057 -8.222 1.00 0.00 C ATOM 759 C THR A 67 8.188 6.302 -7.570 1.00 0.00 C ATOM 760 O THR A 67 7.730 6.737 -6.517 1.00 0.00 O ATOM 761 CB THR A 67 8.406 3.819 -7.803 1.00 0.00 C ATOM 762 OG1 THR A 67 9.740 3.914 -8.311 1.00 0.00 O ATOM 763 CG2 THR A 67 7.749 2.547 -8.318 1.00 0.00 C ATOM 0 H THR A 67 8.151 4.534 -10.168 1.00 0.00 H new ATOM 0 HA THR A 67 6.566 4.933 -7.882 1.00 0.00 H new ATOM 0 HB THR A 67 8.437 3.780 -6.714 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.907 3.175 -8.932 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.339 1.683 -8.011 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.743 2.465 -7.906 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.694 2.581 -9.406 1.00 0.00 H new ATOM 771 N GLY A 68 9.208 6.874 -8.207 1.00 0.00 N ATOM 772 CA GLY A 68 9.813 8.095 -7.711 1.00 0.00 C ATOM 773 C GLY A 68 8.828 9.248 -7.687 1.00 0.00 C ATOM 774 O GLY A 68 8.770 10.009 -6.717 1.00 0.00 O ATOM 0 H GLY A 68 9.627 6.509 -9.063 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.198 7.926 -6.705 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.664 8.359 -8.338 1.00 0.00 H new ATOM 778 N ILE A 69 8.045 9.374 -8.752 1.00 0.00 N ATOM 779 CA ILE A 69 7.003 10.390 -8.821 1.00 0.00 C ATOM 780 C ILE A 69 5.957 10.143 -7.739 1.00 0.00 C ATOM 781 O ILE A 69 5.584 11.058 -7.001 1.00 0.00 O ATOM 782 CB ILE A 69 6.323 10.402 -10.207 1.00 0.00 C ATOM 783 CG1 ILE A 69 7.358 10.680 -11.300 1.00 0.00 C ATOM 784 CG2 ILE A 69 5.212 11.443 -10.247 1.00 0.00 C ATOM 785 CD1 ILE A 69 6.806 10.560 -12.703 1.00 0.00 C ATOM 0 H ILE A 69 8.113 8.784 -9.581 1.00 0.00 H new ATOM 0 HA ILE A 69 7.472 11.361 -8.660 1.00 0.00 H new ATOM 0 HB ILE A 69 5.881 9.422 -10.387 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.759 11.684 -11.161 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.190 9.985 -11.186 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.744 11.438 -11.231 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.465 11.208 -9.489 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.631 12.430 -10.050 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.596 10.771 -13.424 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.431 9.549 -12.861 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.993 11.274 -12.836 1.00 0.00 H new ATOM 797 N ALA A 70 5.510 8.891 -7.637 1.00 0.00 N ATOM 798 CA ALA A 70 4.556 8.492 -6.609 1.00 0.00 C ATOM 799 C ALA A 70 5.089 8.836 -5.226 1.00 0.00 C ATOM 800 O ALA A 70 4.402 9.451 -4.415 1.00 0.00 O ATOM 801 CB ALA A 70 4.269 6.998 -6.707 1.00 0.00 C ATOM 0 H ALA A 70 5.797 8.135 -8.258 1.00 0.00 H new ATOM 0 HA ALA A 70 3.627 9.039 -6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.555 6.713 -5.934 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.851 6.771 -7.688 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.195 6.440 -6.569 1.00 0.00 H new ATOM 807 N PHE A 71 6.335 8.455 -4.989 1.00 0.00 N ATOM 808 CA PHE A 71 7.009 8.692 -3.720 1.00 0.00 C ATOM 809 C PHE A 71 7.015 10.177 -3.368 1.00 0.00 C ATOM 810 O PHE A 71 6.752 10.552 -2.228 1.00 0.00 O ATOM 811 CB PHE A 71 8.440 8.157 -3.807 1.00 0.00 C ATOM 812 CG PHE A 71 9.188 8.165 -2.507 1.00 0.00 C ATOM 813 CD1 PHE A 71 8.837 7.296 -1.488 1.00 0.00 C ATOM 814 CD2 PHE A 71 10.255 9.027 -2.312 1.00 0.00 C ATOM 815 CE1 PHE A 71 9.534 7.288 -0.297 1.00 0.00 C ATOM 816 CE2 PHE A 71 10.954 9.026 -1.123 1.00 0.00 C ATOM 817 CZ PHE A 71 10.595 8.154 -0.115 1.00 0.00 C ATOM 0 H PHE A 71 6.911 7.969 -5.676 1.00 0.00 H new ATOM 0 HA PHE A 71 6.469 8.170 -2.930 1.00 0.00 H new ATOM 0 HB2 PHE A 71 8.410 7.136 -4.188 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.993 8.752 -4.533 1.00 0.00 H new ATOM 0 HD1 PHE A 71 8.009 6.617 -1.627 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.543 9.707 -3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 71 9.251 6.606 0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.781 9.706 -0.981 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.143 8.149 0.815 1.00 0.00 H new ATOM 827 N SER A 72 7.308 11.011 -4.356 1.00 0.00 N ATOM 828 CA SER A 72 7.373 12.451 -4.154 1.00 0.00 C ATOM 829 C SER A 72 5.992 13.036 -3.840 1.00 0.00 C ATOM 830 O SER A 72 5.873 14.011 -3.100 1.00 0.00 O ATOM 831 CB SER A 72 7.954 13.110 -5.401 1.00 0.00 C ATOM 832 OG SER A 72 9.190 12.512 -5.764 1.00 0.00 O ATOM 0 H SER A 72 7.506 10.712 -5.311 1.00 0.00 H new ATOM 0 HA SER A 72 8.017 12.651 -3.298 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.247 13.022 -6.226 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.101 14.175 -5.219 1.00 0.00 H new ATOM 0 HG SER A 72 9.023 11.633 -6.164 1.00 0.00 H new ATOM 838 N LYS A 73 4.954 12.434 -4.410 1.00 0.00 N ATOM 839 CA LYS A 73 3.580 12.849 -4.151 1.00 0.00 C ATOM 840 C LYS A 73 3.141 12.422 -2.756 1.00 0.00 C ATOM 841 O LYS A 73 2.248 13.023 -2.158 1.00 0.00 O ATOM 842 CB LYS A 73 2.640 12.251 -5.200 1.00 0.00 C ATOM 843 CG LYS A 73 2.759 12.898 -6.571 1.00 0.00 C ATOM 844 CD LYS A 73 2.297 14.345 -6.538 1.00 0.00 C ATOM 845 CE LYS A 73 2.394 15.004 -7.905 1.00 0.00 C ATOM 846 NZ LYS A 73 1.859 16.392 -7.883 1.00 0.00 N ATOM 0 H LYS A 73 5.039 11.652 -5.059 1.00 0.00 H new ATOM 0 HA LYS A 73 3.535 13.936 -4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.846 11.185 -5.293 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.612 12.348 -4.851 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.794 12.852 -6.909 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.163 12.340 -7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.266 14.389 -6.187 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.902 14.903 -5.823 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.435 15.020 -8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.842 14.412 -8.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.941 16.811 -8.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.859 16.374 -7.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.402 16.963 -7.204 1.00 0.00 H new ATOM 860 N VAL A 74 3.773 11.371 -2.259 1.00 0.00 N ATOM 861 CA VAL A 74 3.428 10.791 -0.975 1.00 0.00 C ATOM 862 C VAL A 74 4.224 11.435 0.164 1.00 0.00 C ATOM 863 O VAL A 74 3.656 12.093 1.029 1.00 0.00 O ATOM 864 CB VAL A 74 3.666 9.265 -1.012 1.00 0.00 C ATOM 865 CG1 VAL A 74 3.507 8.639 0.363 1.00 0.00 C ATOM 866 CG2 VAL A 74 2.708 8.626 -2.004 1.00 0.00 C ATOM 0 H VAL A 74 4.540 10.897 -2.736 1.00 0.00 H new ATOM 0 HA VAL A 74 2.373 10.985 -0.783 1.00 0.00 H new ATOM 0 HB VAL A 74 4.693 9.086 -1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.682 7.565 0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.228 9.082 1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.497 8.820 0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.876 7.549 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.681 8.826 -1.698 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.879 9.044 -2.996 1.00 0.00 H new ATOM 876 N THR A 75 5.539 11.276 0.150 1.00 0.00 N ATOM 877 CA THR A 75 6.362 11.755 1.252 1.00 0.00 C ATOM 878 C THR A 75 7.243 12.924 0.830 1.00 0.00 C ATOM 879 O THR A 75 8.336 13.124 1.365 1.00 0.00 O ATOM 880 CB THR A 75 7.229 10.621 1.827 1.00 0.00 C ATOM 881 OG1 THR A 75 7.902 9.928 0.767 1.00 0.00 O ATOM 882 CG2 THR A 75 6.370 9.648 2.617 1.00 0.00 C ATOM 0 H THR A 75 6.056 10.824 -0.604 1.00 0.00 H new ATOM 0 HA THR A 75 5.683 12.106 2.029 1.00 0.00 H new ATOM 0 HB THR A 75 7.972 11.057 2.495 1.00 0.00 H new ATOM 0 HG1 THR A 75 8.226 9.063 1.095 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.997 8.851 3.018 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.884 10.175 3.438 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.611 9.218 1.963 1.00 0.00 H new ATOM 890 N GLY A 76 6.762 13.687 -0.138 1.00 0.00 N ATOM 891 CA GLY A 76 7.453 14.894 -0.544 1.00 0.00 C ATOM 892 C GLY A 76 7.349 15.999 0.493 1.00 0.00 C ATOM 893 O GLY A 76 8.370 16.483 0.982 1.00 0.00 O ATOM 0 H GLY A 76 5.903 13.492 -0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.504 14.665 -0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.039 15.246 -1.489 1.00 0.00 H new ATOM 897 N PRO A 77 6.124 16.433 0.847 1.00 0.00 N ATOM 898 CA PRO A 77 5.925 17.490 1.837 1.00 0.00 C ATOM 899 C PRO A 77 6.000 16.991 3.283 1.00 0.00 C ATOM 900 O PRO A 77 5.970 15.786 3.551 1.00 0.00 O ATOM 901 CB PRO A 77 4.516 17.985 1.521 1.00 0.00 C ATOM 902 CG PRO A 77 3.802 16.785 1.002 1.00 0.00 C ATOM 903 CD PRO A 77 4.839 15.947 0.298 1.00 0.00 C ATOM 0 HA PRO A 77 6.701 18.252 1.774 1.00 0.00 H new ATOM 0 HB2 PRO A 77 4.027 18.383 2.410 1.00 0.00 H new ATOM 0 HB3 PRO A 77 4.534 18.786 0.782 1.00 0.00 H new ATOM 0 HG2 PRO A 77 3.338 16.227 1.815 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.005 17.073 0.317 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.696 14.885 0.497 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.792 16.078 -0.783 1.00 0.00 H new ATOM 911 N LYS A 78 6.074 17.943 4.207 1.00 0.00 N ATOM 912 CA LYS A 78 6.110 17.663 5.644 1.00 0.00 C ATOM 913 C LYS A 78 4.818 17.000 6.123 1.00 0.00 C ATOM 914 O LYS A 78 4.727 16.559 7.268 1.00 0.00 O ATOM 915 CB LYS A 78 6.368 18.948 6.436 1.00 0.00 C ATOM 916 CG LYS A 78 5.335 20.040 6.203 1.00 0.00 C ATOM 917 CD LYS A 78 5.620 21.261 7.063 1.00 0.00 C ATOM 918 CE LYS A 78 6.954 21.901 6.708 1.00 0.00 C ATOM 919 NZ LYS A 78 7.337 22.959 7.677 1.00 0.00 N ATOM 0 H LYS A 78 6.111 18.937 3.982 1.00 0.00 H new ATOM 0 HA LYS A 78 6.929 16.966 5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.393 18.708 7.499 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.353 19.333 6.172 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.335 20.325 5.151 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.340 19.657 6.430 1.00 0.00 H new ATOM 0 HD2 LYS A 78 4.821 21.991 6.935 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.623 20.973 8.114 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.729 21.135 6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.896 22.329 5.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.251 23.370 7.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.611 23.703 7.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.418 22.546 8.628 1.00 0.00 H new ATOM 933 N LYS A 79 3.810 16.996 5.253 1.00 0.00 N ATOM 934 CA LYS A 79 2.524 16.343 5.511 1.00 0.00 C ATOM 935 C LYS A 79 2.707 14.914 6.048 1.00 0.00 C ATOM 936 O LYS A 79 1.905 14.449 6.862 1.00 0.00 O ATOM 937 CB LYS A 79 1.709 16.309 4.218 1.00 0.00 C ATOM 938 CG LYS A 79 0.278 15.836 4.389 1.00 0.00 C ATOM 939 CD LYS A 79 -0.381 15.615 3.041 1.00 0.00 C ATOM 940 CE LYS A 79 -1.824 15.164 3.182 1.00 0.00 C ATOM 941 NZ LYS A 79 -2.375 14.712 1.880 1.00 0.00 N ATOM 0 H LYS A 79 3.861 17.449 4.341 1.00 0.00 H new ATOM 0 HA LYS A 79 1.998 16.917 6.274 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.698 17.309 3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.211 15.656 3.504 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.263 14.909 4.963 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.288 16.573 4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.344 16.539 2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.180 14.867 2.481 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.885 14.352 3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.428 15.984 3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.339 14.347 2.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.401 15.513 1.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.772 13.959 1.490 1.00 0.00 H new ATOM 955 N LYS A 80 3.759 14.236 5.567 1.00 0.00 N ATOM 956 CA LYS A 80 4.108 12.869 5.988 1.00 0.00 C ATOM 957 C LYS A 80 3.199 11.833 5.323 1.00 0.00 C ATOM 958 O LYS A 80 2.232 12.181 4.652 1.00 0.00 O ATOM 959 CB LYS A 80 4.075 12.715 7.522 1.00 0.00 C ATOM 960 CG LYS A 80 5.019 13.659 8.257 1.00 0.00 C ATOM 961 CD LYS A 80 6.480 13.339 7.971 1.00 0.00 C ATOM 962 CE LYS A 80 7.001 12.231 8.873 1.00 0.00 C ATOM 963 NZ LYS A 80 7.177 12.696 10.276 1.00 0.00 N ATOM 0 H LYS A 80 4.396 14.622 4.871 1.00 0.00 H new ATOM 0 HA LYS A 80 5.131 12.687 5.659 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.058 12.888 7.873 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.331 11.687 7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.808 14.687 7.961 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.836 13.593 9.330 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.590 13.041 6.928 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.083 14.236 8.111 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.308 11.390 8.853 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.954 11.867 8.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.703 11.980 10.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.706 13.591 10.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.245 12.842 10.713 1.00 0.00 H new ATOM 977 N ALA A 81 3.513 10.559 5.528 1.00 0.00 N ATOM 978 CA ALA A 81 2.830 9.474 4.846 1.00 0.00 C ATOM 979 C ALA A 81 1.637 9.002 5.653 1.00 0.00 C ATOM 980 O ALA A 81 1.718 8.041 6.414 1.00 0.00 O ATOM 981 CB ALA A 81 3.781 8.319 4.581 1.00 0.00 C ATOM 0 H ALA A 81 4.245 10.253 6.169 1.00 0.00 H new ATOM 0 HA ALA A 81 2.472 9.850 3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.247 7.518 4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.605 8.663 3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.174 7.947 5.527 1.00 0.00 H new ATOM 987 N THR A 82 0.554 9.729 5.524 1.00 0.00 N ATOM 988 CA THR A 82 -0.690 9.355 6.180 1.00 0.00 C ATOM 989 C THR A 82 -1.654 8.666 5.198 1.00 0.00 C ATOM 990 O THR A 82 -1.220 8.110 4.185 1.00 0.00 O ATOM 991 CB THR A 82 -1.354 10.573 6.864 1.00 0.00 C ATOM 992 OG1 THR A 82 -1.550 11.648 5.934 1.00 0.00 O ATOM 993 CG2 THR A 82 -0.496 11.056 8.024 1.00 0.00 C ATOM 0 H THR A 82 0.502 10.585 4.972 1.00 0.00 H new ATOM 0 HA THR A 82 -0.447 8.634 6.961 1.00 0.00 H new ATOM 0 HB THR A 82 -2.328 10.256 7.237 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.469 11.308 5.019 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.974 11.914 8.498 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.385 10.254 8.753 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.487 11.347 7.653 1.00 0.00 H new ATOM 1001 N PHE A 83 -2.954 8.694 5.503 1.00 0.00 N ATOM 1002 CA PHE A 83 -3.957 7.929 4.754 1.00 0.00 C ATOM 1003 C PHE A 83 -3.977 8.282 3.264 1.00 0.00 C ATOM 1004 O PHE A 83 -3.989 7.393 2.413 1.00 0.00 O ATOM 1005 CB PHE A 83 -5.354 8.136 5.363 1.00 0.00 C ATOM 1006 CG PHE A 83 -5.876 9.549 5.281 1.00 0.00 C ATOM 1007 CD1 PHE A 83 -5.369 10.547 6.100 1.00 0.00 C ATOM 1008 CD2 PHE A 83 -6.877 9.874 4.377 1.00 0.00 C ATOM 1009 CE1 PHE A 83 -5.851 11.841 6.019 1.00 0.00 C ATOM 1010 CE2 PHE A 83 -7.362 11.163 4.293 1.00 0.00 C ATOM 1011 CZ PHE A 83 -6.849 12.149 5.114 1.00 0.00 C ATOM 0 H PHE A 83 -3.340 9.243 6.271 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.675 6.879 4.833 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -6.057 7.474 4.858 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -5.327 7.834 6.410 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.589 10.311 6.809 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -7.282 9.109 3.731 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.448 12.609 6.662 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -8.143 11.401 3.586 1.00 0.00 H new ATOM 0 HZ PHE A 83 -7.227 13.158 5.049 1.00 0.00 H new ATOM 1021 N ASP A 84 -3.962 9.574 2.955 1.00 0.00 N ATOM 1022 CA ASP A 84 -4.051 10.040 1.571 1.00 0.00 C ATOM 1023 C ASP A 84 -2.823 9.596 0.787 1.00 0.00 C ATOM 1024 O ASP A 84 -2.909 9.205 -0.378 1.00 0.00 O ATOM 1025 CB ASP A 84 -4.184 11.566 1.541 1.00 0.00 C ATOM 1026 CG ASP A 84 -4.289 12.128 0.136 1.00 0.00 C ATOM 1027 OD1 ASP A 84 -5.142 11.654 -0.642 1.00 0.00 O ATOM 1028 OD2 ASP A 84 -3.546 13.077 -0.184 1.00 0.00 O ATOM 0 H ASP A 84 -3.889 10.322 3.645 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.934 9.603 1.105 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -5.067 11.859 2.110 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.322 12.009 2.040 1.00 0.00 H new ATOM 1033 N GLU A 85 -1.692 9.626 1.465 1.00 0.00 N ATOM 1034 CA GLU A 85 -0.419 9.220 0.896 1.00 0.00 C ATOM 1035 C GLU A 85 -0.420 7.725 0.599 1.00 0.00 C ATOM 1036 O GLU A 85 -0.037 7.304 -0.490 1.00 0.00 O ATOM 1037 CB GLU A 85 0.713 9.569 1.864 1.00 0.00 C ATOM 1038 CG GLU A 85 0.957 11.067 2.010 1.00 0.00 C ATOM 1039 CD GLU A 85 -0.282 11.833 2.416 1.00 0.00 C ATOM 1040 OE1 GLU A 85 -0.828 11.545 3.503 1.00 0.00 O ATOM 1041 OE2 GLU A 85 -0.740 12.691 1.631 1.00 0.00 O ATOM 0 H GLU A 85 -1.629 9.935 2.435 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.264 9.754 -0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.483 9.151 2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.631 9.092 1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.738 11.231 2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.328 11.463 1.064 1.00 0.00 H new ATOM 1048 N THR A 86 -0.874 6.935 1.567 1.00 0.00 N ATOM 1049 CA THR A 86 -0.963 5.486 1.407 1.00 0.00 C ATOM 1050 C THR A 86 -1.860 5.133 0.220 1.00 0.00 C ATOM 1051 O THR A 86 -1.551 4.235 -0.571 1.00 0.00 O ATOM 1052 CB THR A 86 -1.510 4.818 2.686 1.00 0.00 C ATOM 1053 OG1 THR A 86 -0.724 5.214 3.817 1.00 0.00 O ATOM 1054 CG2 THR A 86 -1.490 3.299 2.565 1.00 0.00 C ATOM 0 H THR A 86 -1.188 7.276 2.476 1.00 0.00 H new ATOM 0 HA THR A 86 0.043 5.111 1.222 1.00 0.00 H new ATOM 0 HB THR A 86 -2.542 5.142 2.820 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.934 6.142 4.053 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.881 2.856 3.481 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.108 2.993 1.721 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.466 2.960 2.406 1.00 0.00 H new ATOM 1062 N LYS A 87 -2.964 5.863 0.102 1.00 0.00 N ATOM 1063 CA LYS A 87 -3.894 5.706 -1.010 1.00 0.00 C ATOM 1064 C LYS A 87 -3.187 5.972 -2.337 1.00 0.00 C ATOM 1065 O LYS A 87 -3.360 5.230 -3.305 1.00 0.00 O ATOM 1066 CB LYS A 87 -5.068 6.677 -0.824 1.00 0.00 C ATOM 1067 CG LYS A 87 -6.123 6.628 -1.921 1.00 0.00 C ATOM 1068 CD LYS A 87 -6.786 5.265 -2.014 1.00 0.00 C ATOM 1069 CE LYS A 87 -8.096 5.339 -2.782 1.00 0.00 C ATOM 1070 NZ LYS A 87 -7.924 5.907 -4.147 1.00 0.00 N ATOM 0 H LYS A 87 -3.239 6.579 0.774 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.270 4.683 -1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.548 6.464 0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.675 7.692 -0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.881 7.387 -1.729 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.662 6.873 -2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.113 4.564 -2.506 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.971 4.879 -1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.525 4.340 -2.859 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.806 5.949 -2.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.808 5.797 -4.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.686 6.917 -4.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.157 5.405 -4.638 1.00 0.00 H new ATOM 1084 N LYS A 88 -2.377 7.022 -2.358 1.00 0.00 N ATOM 1085 CA LYS A 88 -1.629 7.403 -3.546 1.00 0.00 C ATOM 1086 C LYS A 88 -0.614 6.337 -3.942 1.00 0.00 C ATOM 1087 O LYS A 88 -0.501 6.001 -5.118 1.00 0.00 O ATOM 1088 CB LYS A 88 -0.924 8.735 -3.306 1.00 0.00 C ATOM 1089 CG LYS A 88 -1.870 9.922 -3.288 1.00 0.00 C ATOM 1090 CD LYS A 88 -1.165 11.196 -2.858 1.00 0.00 C ATOM 1091 CE LYS A 88 -2.127 12.370 -2.826 1.00 0.00 C ATOM 1092 NZ LYS A 88 -1.529 13.566 -2.182 1.00 0.00 N ATOM 0 H LYS A 88 -2.221 7.631 -1.555 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.336 7.505 -4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -0.391 8.690 -2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.176 8.887 -4.084 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.299 10.061 -4.281 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.698 9.717 -2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.725 11.056 -1.871 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.346 11.412 -3.545 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.428 12.619 -3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.030 12.083 -2.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.035 13.774 -1.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.527 13.383 -1.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.605 14.381 -2.824 1.00 0.00 H new ATOM 1106 N VAL A 89 0.117 5.803 -2.968 1.00 0.00 N ATOM 1107 CA VAL A 89 1.152 4.812 -3.259 1.00 0.00 C ATOM 1108 C VAL A 89 0.560 3.599 -3.965 1.00 0.00 C ATOM 1109 O VAL A 89 0.967 3.265 -5.075 1.00 0.00 O ATOM 1110 CB VAL A 89 1.886 4.324 -1.995 1.00 0.00 C ATOM 1111 CG1 VAL A 89 3.086 3.467 -2.373 1.00 0.00 C ATOM 1112 CG2 VAL A 89 2.323 5.487 -1.130 1.00 0.00 C ATOM 0 H VAL A 89 0.015 6.035 -1.980 1.00 0.00 H new ATOM 0 HA VAL A 89 1.871 5.317 -3.904 1.00 0.00 H new ATOM 0 HB VAL A 89 1.188 3.718 -1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.593 3.131 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.750 2.601 -2.943 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.776 4.054 -2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.838 5.110 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.998 6.129 -1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.449 6.061 -0.823 1.00 0.00 H new ATOM 1122 N LEU A 90 -0.412 2.959 -3.324 1.00 0.00 N ATOM 1123 CA LEU A 90 -1.035 1.761 -3.881 1.00 0.00 C ATOM 1124 C LEU A 90 -1.621 2.035 -5.264 1.00 0.00 C ATOM 1125 O LEU A 90 -1.583 1.177 -6.142 1.00 0.00 O ATOM 1126 CB LEU A 90 -2.120 1.223 -2.936 1.00 0.00 C ATOM 1127 CG LEU A 90 -1.674 0.096 -1.991 1.00 0.00 C ATOM 1128 CD1 LEU A 90 -1.253 -1.131 -2.780 1.00 0.00 C ATOM 1129 CD2 LEU A 90 -0.541 0.551 -1.085 1.00 0.00 C ATOM 0 H LEU A 90 -0.786 3.248 -2.420 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.260 1.002 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.496 2.050 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.954 0.861 -3.537 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.526 -0.165 -1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.941 -1.917 -2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.093 -1.485 -3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.422 -0.874 -3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.248 -0.269 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.312 0.852 -1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.874 1.397 -0.483 1.00 0.00 H new ATOM 1141 N ALA A 91 -2.132 3.242 -5.460 1.00 0.00 N ATOM 1142 CA ALA A 91 -2.728 3.618 -6.730 1.00 0.00 C ATOM 1143 C ALA A 91 -1.664 3.812 -7.810 1.00 0.00 C ATOM 1144 O ALA A 91 -1.760 3.239 -8.893 1.00 0.00 O ATOM 1145 CB ALA A 91 -3.554 4.884 -6.567 1.00 0.00 C ATOM 0 H ALA A 91 -2.145 3.977 -4.753 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.381 2.806 -7.049 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.996 5.156 -7.526 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.346 4.710 -5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.913 5.694 -6.220 1.00 0.00 H new ATOM 1151 N PHE A 92 -0.643 4.608 -7.504 1.00 0.00 N ATOM 1152 CA PHE A 92 0.378 4.959 -8.492 1.00 0.00 C ATOM 1153 C PHE A 92 1.297 3.781 -8.806 1.00 0.00 C ATOM 1154 O PHE A 92 1.698 3.592 -9.953 1.00 0.00 O ATOM 1155 CB PHE A 92 1.211 6.154 -8.023 1.00 0.00 C ATOM 1156 CG PHE A 92 0.430 7.434 -7.904 1.00 0.00 C ATOM 1157 CD1 PHE A 92 -0.602 7.721 -8.786 1.00 0.00 C ATOM 1158 CD2 PHE A 92 0.728 8.350 -6.908 1.00 0.00 C ATOM 1159 CE1 PHE A 92 -1.318 8.895 -8.676 1.00 0.00 C ATOM 1160 CE2 PHE A 92 0.015 9.527 -6.793 1.00 0.00 C ATOM 1161 CZ PHE A 92 -1.010 9.800 -7.679 1.00 0.00 C ATOM 0 H PHE A 92 -0.499 5.022 -6.583 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.150 5.231 -9.406 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.653 5.918 -7.055 1.00 0.00 H new ATOM 0 HB3 PHE A 92 2.035 6.306 -8.721 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.848 7.017 -9.568 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.528 8.141 -6.213 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.119 9.106 -9.369 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.258 10.233 -6.012 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.569 10.720 -7.592 1.00 0.00 H new ATOM 1171 N VAL A 93 1.642 3.001 -7.789 1.00 0.00 N ATOM 1172 CA VAL A 93 2.473 1.819 -7.992 1.00 0.00 C ATOM 1173 C VAL A 93 1.741 0.805 -8.867 1.00 0.00 C ATOM 1174 O VAL A 93 2.321 0.231 -9.790 1.00 0.00 O ATOM 1175 CB VAL A 93 2.896 1.167 -6.652 1.00 0.00 C ATOM 1176 CG1 VAL A 93 3.690 -0.102 -6.900 1.00 0.00 C ATOM 1177 CG2 VAL A 93 3.733 2.138 -5.831 1.00 0.00 C ATOM 0 H VAL A 93 1.362 3.163 -6.822 1.00 0.00 H new ATOM 0 HA VAL A 93 3.383 2.142 -8.497 1.00 0.00 H new ATOM 0 HB VAL A 93 1.991 0.915 -6.099 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.977 -0.544 -5.946 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.078 -0.811 -7.459 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.586 0.136 -7.474 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.022 1.665 -4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.628 2.411 -6.391 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.149 3.034 -5.621 1.00 0.00 H new ATOM 1187 N ALA A 94 0.462 0.590 -8.576 1.00 0.00 N ATOM 1188 CA ALA A 94 -0.364 -0.277 -9.400 1.00 0.00 C ATOM 1189 C ALA A 94 -0.483 0.283 -10.813 1.00 0.00 C ATOM 1190 O ALA A 94 -0.425 -0.464 -11.782 1.00 0.00 O ATOM 1191 CB ALA A 94 -1.742 -0.456 -8.781 1.00 0.00 C ATOM 0 H ALA A 94 -0.021 1.004 -7.778 1.00 0.00 H new ATOM 0 HA ALA A 94 0.116 -1.254 -9.454 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.343 -1.108 -9.414 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.641 -0.903 -7.792 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.230 0.515 -8.693 1.00 0.00 H new ATOM 1197 N GLU A 95 -0.644 1.605 -10.908 1.00 0.00 N ATOM 1198 CA GLU A 95 -0.779 2.311 -12.185 1.00 0.00 C ATOM 1199 C GLU A 95 0.327 1.916 -13.170 1.00 0.00 C ATOM 1200 O GLU A 95 0.046 1.638 -14.337 1.00 0.00 O ATOM 1201 CB GLU A 95 -0.759 3.822 -11.922 1.00 0.00 C ATOM 1202 CG GLU A 95 -1.584 4.650 -12.897 1.00 0.00 C ATOM 1203 CD GLU A 95 -0.851 4.986 -14.174 1.00 0.00 C ATOM 1204 OE1 GLU A 95 0.000 5.895 -14.144 1.00 0.00 O ATOM 1205 OE2 GLU A 95 -1.137 4.363 -15.217 1.00 0.00 O ATOM 0 H GLU A 95 -0.685 2.220 -10.095 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.727 2.029 -12.644 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.124 4.006 -10.912 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.274 4.169 -11.956 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.495 4.105 -13.143 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.888 5.575 -12.408 1.00 0.00 H new ATOM 1212 N ASP A 96 1.574 1.879 -12.686 1.00 0.00 N ATOM 1213 CA ASP A 96 2.726 1.481 -13.508 1.00 0.00 C ATOM 1214 C ASP A 96 2.445 0.160 -14.223 1.00 0.00 C ATOM 1215 O ASP A 96 2.491 0.079 -15.456 1.00 0.00 O ATOM 1216 CB ASP A 96 3.984 1.348 -12.633 1.00 0.00 C ATOM 1217 CG ASP A 96 5.237 0.989 -13.426 1.00 0.00 C ATOM 1218 OD1 ASP A 96 5.317 -0.141 -13.953 1.00 0.00 O ATOM 1219 OD2 ASP A 96 6.162 1.829 -13.502 1.00 0.00 O ATOM 0 H ASP A 96 1.813 2.121 -11.724 1.00 0.00 H new ATOM 0 HA ASP A 96 2.896 2.254 -14.258 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.153 2.287 -12.107 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.811 0.584 -11.875 1.00 0.00 H new ATOM 1224 N ARG A 97 2.126 -0.865 -13.445 1.00 0.00 N ATOM 1225 CA ARG A 97 1.837 -2.182 -13.993 1.00 0.00 C ATOM 1226 C ARG A 97 0.511 -2.188 -14.748 1.00 0.00 C ATOM 1227 O ARG A 97 0.428 -2.692 -15.867 1.00 0.00 O ATOM 1228 CB ARG A 97 1.802 -3.236 -12.880 1.00 0.00 C ATOM 1229 CG ARG A 97 1.263 -4.580 -13.348 1.00 0.00 C ATOM 1230 CD ARG A 97 1.211 -5.597 -12.222 1.00 0.00 C ATOM 1231 NE ARG A 97 0.487 -6.804 -12.617 1.00 0.00 N ATOM 1232 CZ ARG A 97 0.978 -8.040 -12.533 1.00 0.00 C ATOM 1233 NH1 ARG A 97 2.201 -8.246 -12.052 1.00 0.00 N ATOM 1234 NH2 ARG A 97 0.242 -9.066 -12.935 1.00 0.00 N ATOM 0 H ARG A 97 2.061 -0.809 -12.429 1.00 0.00 H new ATOM 0 HA ARG A 97 2.636 -2.428 -14.693 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.809 -3.372 -12.485 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.185 -2.869 -12.060 1.00 0.00 H new ATOM 0 HG2 ARG A 97 0.263 -4.445 -13.761 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.891 -4.962 -14.152 1.00 0.00 H new ATOM 0 HD2 ARG A 97 2.225 -5.862 -11.924 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.729 -5.152 -11.352 1.00 0.00 H new ATOM 0 HE ARG A 97 -0.459 -6.692 -12.982 1.00 0.00 H new ATOM 0 HH11 ARG A 97 2.768 -7.456 -11.745 1.00 0.00 H new ATOM 0 HH12 ARG A 97 2.572 -9.194 -11.990 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -0.695 -8.907 -13.306 1.00 0.00 H new ATOM 0 HH22 ARG A 97 0.612 -10.014 -12.873 1.00 0.00 H new ATOM 1248 N ALA A 98 -0.512 -1.612 -14.135 1.00 0.00 N ATOM 1249 CA ALA A 98 -1.872 -1.673 -14.653 1.00 0.00 C ATOM 1250 C ALA A 98 -1.988 -1.071 -16.044 1.00 0.00 C ATOM 1251 O ALA A 98 -2.603 -1.668 -16.927 1.00 0.00 O ATOM 1252 CB ALA A 98 -2.825 -0.979 -13.696 1.00 0.00 C ATOM 0 H ALA A 98 -0.424 -1.089 -13.264 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.142 -2.726 -14.736 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -3.839 -1.030 -14.092 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.789 -1.473 -12.725 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.531 0.065 -13.583 1.00 0.00 H new ATOM 1258 N ARG A 99 -1.385 0.095 -16.239 1.00 0.00 N ATOM 1259 CA ARG A 99 -1.485 0.807 -17.508 1.00 0.00 C ATOM 1260 C ARG A 99 -0.912 -0.026 -18.649 1.00 0.00 C ATOM 1261 O ARG A 99 -1.425 -0.009 -19.765 1.00 0.00 O ATOM 1262 CB ARG A 99 -0.735 2.138 -17.433 1.00 0.00 C ATOM 1263 CG ARG A 99 -1.059 3.079 -18.578 1.00 0.00 C ATOM 1264 CD ARG A 99 -0.001 4.159 -18.734 1.00 0.00 C ATOM 1265 NE ARG A 99 0.248 4.905 -17.498 1.00 0.00 N ATOM 1266 CZ ARG A 99 1.076 5.950 -17.418 1.00 0.00 C ATOM 1267 NH1 ARG A 99 1.637 6.449 -18.513 1.00 0.00 N ATOM 1268 NH2 ARG A 99 1.315 6.525 -16.252 1.00 0.00 N ATOM 0 H ARG A 99 -0.821 0.569 -15.534 1.00 0.00 H new ATOM 0 HA ARG A 99 -2.542 0.993 -17.701 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.975 2.629 -16.490 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.337 1.942 -17.426 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -1.138 2.511 -19.505 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -2.030 3.543 -18.404 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.930 3.701 -19.068 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.312 4.854 -19.514 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.238 4.610 -16.651 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.437 6.034 -19.423 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.268 7.247 -18.444 1.00 0.00 H new ATOM 0 HH21 ARG A 99 0.866 6.171 -15.407 1.00 0.00 H new ATOM 0 HH22 ARG A 99 1.948 7.323 -16.197 1.00 0.00 H new ATOM 1282 N GLN A 100 0.149 -0.764 -18.350 1.00 0.00 N ATOM 1283 CA GLN A 100 0.865 -1.520 -19.365 1.00 0.00 C ATOM 1284 C GLN A 100 0.323 -2.939 -19.497 1.00 0.00 C ATOM 1285 O GLN A 100 0.689 -3.663 -20.422 1.00 0.00 O ATOM 1286 CB GLN A 100 2.355 -1.557 -19.029 1.00 0.00 C ATOM 1287 CG GLN A 100 2.984 -0.179 -18.923 1.00 0.00 C ATOM 1288 CD GLN A 100 4.436 -0.234 -18.498 1.00 0.00 C ATOM 1289 OE1 GLN A 100 5.339 -0.314 -19.333 1.00 0.00 O ATOM 1290 NE2 GLN A 100 4.675 -0.189 -17.197 1.00 0.00 N ATOM 0 H GLN A 100 0.533 -0.854 -17.409 1.00 0.00 H new ATOM 0 HA GLN A 100 0.718 -1.019 -20.322 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.494 -2.085 -18.086 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.878 -2.129 -19.795 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.910 0.325 -19.886 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.422 0.419 -18.206 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.899 -0.123 -16.538 1.00 0.00 H new ATOM 0 HE22 GLN A 100 5.635 -0.220 -16.853 1.00 0.00 H new ATOM 1299 N SER A 101 -0.530 -3.341 -18.567 1.00 0.00 N ATOM 1300 CA SER A 101 -1.119 -4.673 -18.609 1.00 0.00 C ATOM 1301 C SER A 101 -2.534 -4.615 -19.172 1.00 0.00 C ATOM 1302 O SER A 101 -2.821 -5.166 -20.236 1.00 0.00 O ATOM 1303 CB SER A 101 -1.132 -5.291 -17.209 1.00 0.00 C ATOM 1304 OG SER A 101 0.162 -5.258 -16.632 1.00 0.00 O ATOM 0 H SER A 101 -0.829 -2.768 -17.778 1.00 0.00 H new ATOM 0 HA SER A 101 -0.512 -5.298 -19.264 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.832 -4.749 -16.574 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.484 -6.321 -17.265 1.00 0.00 H new ATOM 0 HG SER A 101 0.267 -4.434 -16.112 1.00 0.00 H new ATOM 1310 N LYS A 102 -3.419 -3.953 -18.442 1.00 0.00 N ATOM 1311 CA LYS A 102 -4.789 -3.768 -18.884 1.00 0.00 C ATOM 1312 C LYS A 102 -4.954 -2.358 -19.433 1.00 0.00 C ATOM 1313 O LYS A 102 -4.957 -2.135 -20.647 1.00 0.00 O ATOM 1314 CB LYS A 102 -5.753 -3.964 -17.711 1.00 0.00 C ATOM 1315 CG LYS A 102 -5.608 -5.296 -16.991 1.00 0.00 C ATOM 1316 CD LYS A 102 -6.287 -6.424 -17.745 1.00 0.00 C ATOM 1317 CE LYS A 102 -6.299 -7.698 -16.918 1.00 0.00 C ATOM 1318 NZ LYS A 102 -6.829 -7.454 -15.548 1.00 0.00 N ATOM 0 H LYS A 102 -3.209 -3.534 -17.536 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.014 -4.500 -19.659 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -5.600 -3.159 -16.993 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.775 -3.873 -18.078 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -4.550 -5.528 -16.866 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.037 -5.217 -15.992 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.309 -6.137 -17.994 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.768 -6.602 -18.687 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.909 -8.451 -17.417 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -5.288 -8.100 -16.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.234 -8.334 -15.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.057 -7.135 -14.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -7.567 -6.722 -15.586 1.00 0.00 H new ATOM 1332 N LYS A 103 -5.040 -1.421 -18.489 1.00 0.00 N ATOM 1333 CA LYS A 103 -5.199 0.006 -18.742 1.00 0.00 C ATOM 1334 C LYS A 103 -5.675 0.685 -17.450 1.00 0.00 C ATOM 1335 O LYS A 103 -5.040 1.630 -16.978 1.00 0.00 O ATOM 1336 CB LYS A 103 -6.181 0.296 -19.882 1.00 0.00 C ATOM 1337 CG LYS A 103 -6.248 1.765 -20.250 1.00 0.00 C ATOM 1338 CD LYS A 103 -7.158 1.999 -21.440 1.00 0.00 C ATOM 1339 CE LYS A 103 -7.163 3.459 -21.858 1.00 0.00 C ATOM 1340 NZ LYS A 103 -7.949 3.671 -23.100 1.00 0.00 N ATOM 0 H LYS A 103 -4.999 -1.645 -17.495 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.233 0.404 -19.053 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.889 -0.279 -20.760 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.175 -0.046 -19.593 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.609 2.339 -19.396 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.247 2.130 -20.479 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.831 1.381 -22.276 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.172 1.687 -21.191 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.580 4.066 -21.055 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.138 3.797 -22.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.930 4.679 -23.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.535 3.111 -23.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.933 3.372 -22.944 1.00 0.00 H new ATOM 1354 N PRO A 104 -6.798 0.212 -16.849 1.00 0.00 N ATOM 1355 CA PRO A 104 -7.272 0.715 -15.561 1.00 0.00 C ATOM 1356 C PRO A 104 -6.476 0.125 -14.400 1.00 0.00 C ATOM 1357 O PRO A 104 -5.978 -1.001 -14.485 1.00 0.00 O ATOM 1358 CB PRO A 104 -8.739 0.253 -15.494 1.00 0.00 C ATOM 1359 CG PRO A 104 -9.030 -0.389 -16.812 1.00 0.00 C ATOM 1360 CD PRO A 104 -7.707 -0.826 -17.361 1.00 0.00 C ATOM 0 HA PRO A 104 -7.160 1.796 -15.480 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -8.889 -0.451 -14.676 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -9.406 1.097 -15.315 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -9.702 -1.239 -16.692 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -9.520 0.312 -17.488 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -7.429 -1.820 -17.010 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -7.711 -0.862 -18.450 1.00 0.00 H new ATOM 1368 N ILE A 105 -6.367 0.881 -13.317 1.00 0.00 N ATOM 1369 CA ILE A 105 -5.578 0.471 -12.171 1.00 0.00 C ATOM 1370 C ILE A 105 -6.301 -0.585 -11.341 1.00 0.00 C ATOM 1371 O ILE A 105 -5.674 -1.508 -10.822 1.00 0.00 O ATOM 1372 CB ILE A 105 -5.165 1.680 -11.297 1.00 0.00 C ATOM 1373 CG1 ILE A 105 -6.368 2.513 -10.835 1.00 0.00 C ATOM 1374 CG2 ILE A 105 -4.196 2.559 -12.062 1.00 0.00 C ATOM 1375 CD1 ILE A 105 -6.915 2.113 -9.479 1.00 0.00 C ATOM 0 H ILE A 105 -6.820 1.789 -13.211 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.665 0.019 -12.558 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.686 1.282 -10.402 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.078 3.563 -10.802 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.163 2.425 -11.576 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.908 3.408 -11.442 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.308 1.982 -12.321 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.673 2.920 -12.973 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.763 2.750 -9.226 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.239 1.073 -9.510 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.137 2.229 -8.724 1.00 0.00 H new ATOM 1387 N GLN A 106 -7.619 -0.431 -11.215 1.00 0.00 N ATOM 1388 CA GLN A 106 -8.434 -1.306 -10.375 1.00 0.00 C ATOM 1389 C GLN A 106 -8.204 -2.779 -10.713 1.00 0.00 C ATOM 1390 O GLN A 106 -8.112 -3.611 -9.815 1.00 0.00 O ATOM 1391 CB GLN A 106 -9.915 -0.956 -10.535 1.00 0.00 C ATOM 1392 CG GLN A 106 -10.682 -0.907 -9.221 1.00 0.00 C ATOM 1393 CD GLN A 106 -10.650 -2.221 -8.467 1.00 0.00 C ATOM 1394 OE1 GLN A 106 -11.509 -3.081 -8.659 1.00 0.00 O ATOM 1395 NE2 GLN A 106 -9.667 -2.379 -7.596 1.00 0.00 N ATOM 0 H GLN A 106 -8.149 0.300 -11.690 1.00 0.00 H new ATOM 0 HA GLN A 106 -8.135 -1.149 -9.339 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -9.998 0.012 -11.029 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -10.383 -1.690 -11.191 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -10.263 -0.123 -8.591 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -11.718 -0.635 -9.422 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.975 -1.640 -7.468 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.601 -3.240 -7.053 1.00 0.00 H new ATOM 1404 N ASP A 107 -8.100 -3.086 -12.005 1.00 0.00 N ATOM 1405 CA ASP A 107 -7.852 -4.456 -12.467 1.00 0.00 C ATOM 1406 C ASP A 107 -6.686 -5.093 -11.729 1.00 0.00 C ATOM 1407 O ASP A 107 -6.827 -6.144 -11.099 1.00 0.00 O ATOM 1408 CB ASP A 107 -7.550 -4.473 -13.966 1.00 0.00 C ATOM 1409 CG ASP A 107 -8.790 -4.617 -14.816 1.00 0.00 C ATOM 1410 OD1 ASP A 107 -9.589 -3.667 -14.873 1.00 0.00 O ATOM 1411 OD2 ASP A 107 -8.960 -5.686 -15.446 1.00 0.00 O ATOM 0 H ASP A 107 -8.184 -2.402 -12.757 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.757 -5.029 -12.263 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.035 -3.552 -14.238 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -6.869 -5.295 -14.185 1.00 0.00 H new ATOM 1416 N GLU A 108 -5.536 -4.446 -11.802 1.00 0.00 N ATOM 1417 CA GLU A 108 -4.325 -4.992 -11.223 1.00 0.00 C ATOM 1418 C GLU A 108 -4.303 -4.808 -9.712 1.00 0.00 C ATOM 1419 O GLU A 108 -3.752 -5.639 -8.996 1.00 0.00 O ATOM 1420 CB GLU A 108 -3.091 -4.363 -11.866 1.00 0.00 C ATOM 1421 CG GLU A 108 -2.997 -4.637 -13.360 1.00 0.00 C ATOM 1422 CD GLU A 108 -3.080 -6.115 -13.686 1.00 0.00 C ATOM 1423 OE1 GLU A 108 -2.099 -6.841 -13.419 1.00 0.00 O ATOM 1424 OE2 GLU A 108 -4.125 -6.558 -14.215 1.00 0.00 O ATOM 0 H GLU A 108 -5.417 -3.541 -12.257 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.310 -6.063 -11.425 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.110 -3.286 -11.700 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.196 -4.746 -11.375 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.800 -4.109 -13.874 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -2.058 -4.236 -13.741 1.00 0.00 H new ATOM 1431 N LEU A 109 -4.916 -3.734 -9.222 1.00 0.00 N ATOM 1432 CA LEU A 109 -4.978 -3.500 -7.787 1.00 0.00 C ATOM 1433 C LEU A 109 -5.808 -4.585 -7.121 1.00 0.00 C ATOM 1434 O LEU A 109 -5.458 -5.078 -6.053 1.00 0.00 O ATOM 1435 CB LEU A 109 -5.586 -2.136 -7.464 1.00 0.00 C ATOM 1436 CG LEU A 109 -5.705 -1.841 -5.964 1.00 0.00 C ATOM 1437 CD1 LEU A 109 -4.336 -1.579 -5.357 1.00 0.00 C ATOM 1438 CD2 LEU A 109 -6.644 -0.673 -5.709 1.00 0.00 C ATOM 0 H LEU A 109 -5.371 -3.021 -9.792 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.957 -3.520 -7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.977 -1.360 -7.928 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -6.577 -2.076 -7.914 1.00 0.00 H new ATOM 0 HG LEU A 109 -6.129 -2.721 -5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.444 -1.372 -4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.703 -2.456 -5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.878 -0.721 -5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -6.709 -0.486 -4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -6.262 0.217 -6.210 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -7.634 -0.911 -6.097 1.00 0.00 H new ATOM 1450 N ASP A 110 -6.906 -4.957 -7.768 1.00 0.00 N ATOM 1451 CA ASP A 110 -7.787 -5.994 -7.250 1.00 0.00 C ATOM 1452 C ASP A 110 -7.042 -7.318 -7.199 1.00 0.00 C ATOM 1453 O ASP A 110 -7.174 -8.082 -6.246 1.00 0.00 O ATOM 1454 CB ASP A 110 -9.031 -6.121 -8.128 1.00 0.00 C ATOM 1455 CG ASP A 110 -10.109 -6.972 -7.496 1.00 0.00 C ATOM 1456 OD1 ASP A 110 -10.774 -6.488 -6.555 1.00 0.00 O ATOM 1457 OD2 ASP A 110 -10.317 -8.113 -7.952 1.00 0.00 O ATOM 0 H ASP A 110 -7.207 -4.554 -8.655 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.103 -5.722 -6.243 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -9.431 -5.127 -8.330 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -8.750 -6.553 -9.088 1.00 0.00 H new ATOM 1462 N ALA A 111 -6.239 -7.569 -8.231 1.00 0.00 N ATOM 1463 CA ALA A 111 -5.375 -8.742 -8.258 1.00 0.00 C ATOM 1464 C ALA A 111 -4.399 -8.720 -7.083 1.00 0.00 C ATOM 1465 O ALA A 111 -4.200 -9.733 -6.419 1.00 0.00 O ATOM 1466 CB ALA A 111 -4.617 -8.829 -9.575 1.00 0.00 C ATOM 0 H ALA A 111 -6.170 -6.975 -9.057 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.006 -9.626 -8.168 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -3.979 -9.713 -9.570 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.327 -8.898 -10.399 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.001 -7.938 -9.700 1.00 0.00 H new ATOM 1472 N ILE A 112 -3.791 -7.558 -6.843 1.00 0.00 N ATOM 1473 CA ILE A 112 -2.903 -7.352 -5.695 1.00 0.00 C ATOM 1474 C ILE A 112 -3.643 -7.616 -4.383 1.00 0.00 C ATOM 1475 O ILE A 112 -3.169 -8.356 -3.518 1.00 0.00 O ATOM 1476 CB ILE A 112 -2.345 -5.905 -5.676 1.00 0.00 C ATOM 1477 CG1 ILE A 112 -1.468 -5.654 -6.907 1.00 0.00 C ATOM 1478 CG2 ILE A 112 -1.559 -5.628 -4.398 1.00 0.00 C ATOM 1479 CD1 ILE A 112 -1.026 -4.210 -7.057 1.00 0.00 C ATOM 0 H ILE A 112 -3.899 -6.735 -7.436 1.00 0.00 H new ATOM 0 HA ILE A 112 -2.076 -8.055 -5.794 1.00 0.00 H new ATOM 0 HB ILE A 112 -3.193 -5.220 -5.702 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.585 -6.291 -6.849 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.017 -5.951 -7.800 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -1.182 -4.605 -4.417 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -2.211 -5.758 -3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.722 -6.322 -4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.409 -4.109 -7.950 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -1.903 -3.569 -7.147 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -0.448 -3.914 -6.182 1.00 0.00 H new ATOM 1491 N THR A 113 -4.813 -7.005 -4.262 1.00 0.00 N ATOM 1492 CA THR A 113 -5.637 -7.122 -3.069 1.00 0.00 C ATOM 1493 C THR A 113 -6.008 -8.587 -2.804 1.00 0.00 C ATOM 1494 O THR A 113 -5.877 -9.074 -1.679 1.00 0.00 O ATOM 1495 CB THR A 113 -6.915 -6.263 -3.212 1.00 0.00 C ATOM 1496 OG1 THR A 113 -6.571 -4.938 -3.643 1.00 0.00 O ATOM 1497 CG2 THR A 113 -7.669 -6.165 -1.896 1.00 0.00 C ATOM 0 H THR A 113 -5.217 -6.414 -4.989 1.00 0.00 H new ATOM 0 HA THR A 113 -5.061 -6.756 -2.219 1.00 0.00 H new ATOM 0 HB THR A 113 -7.554 -6.748 -3.950 1.00 0.00 H new ATOM 0 HG1 THR A 113 -6.494 -4.921 -4.620 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.561 -5.554 -2.033 1.00 0.00 H new ATOM 0 HG22 THR A 113 -7.959 -7.163 -1.568 1.00 0.00 H new ATOM 0 HG23 THR A 113 -7.028 -5.707 -1.143 1.00 0.00 H new ATOM 1505 N GLU A 114 -6.445 -9.293 -3.847 1.00 0.00 N ATOM 1506 CA GLU A 114 -6.795 -10.704 -3.719 1.00 0.00 C ATOM 1507 C GLU A 114 -5.561 -11.552 -3.423 1.00 0.00 C ATOM 1508 O GLU A 114 -5.618 -12.467 -2.608 1.00 0.00 O ATOM 1509 CB GLU A 114 -7.480 -11.225 -4.988 1.00 0.00 C ATOM 1510 CG GLU A 114 -7.826 -12.705 -4.902 1.00 0.00 C ATOM 1511 CD GLU A 114 -8.385 -13.279 -6.187 1.00 0.00 C ATOM 1512 OE1 GLU A 114 -8.097 -12.731 -7.270 1.00 0.00 O ATOM 1513 OE2 GLU A 114 -9.101 -14.302 -6.114 1.00 0.00 O ATOM 0 H GLU A 114 -6.564 -8.911 -4.785 1.00 0.00 H new ATOM 0 HA GLU A 114 -7.491 -10.787 -2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.390 -10.653 -5.166 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.826 -11.058 -5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -6.931 -13.262 -4.626 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.553 -12.853 -4.103 1.00 0.00 H new ATOM 1520 N LYS A 115 -4.453 -11.242 -4.086 1.00 0.00 N ATOM 1521 CA LYS A 115 -3.232 -12.040 -3.978 1.00 0.00 C ATOM 1522 C LYS A 115 -2.733 -12.113 -2.534 1.00 0.00 C ATOM 1523 O LYS A 115 -2.270 -13.162 -2.087 1.00 0.00 O ATOM 1524 CB LYS A 115 -2.140 -11.468 -4.891 1.00 0.00 C ATOM 1525 CG LYS A 115 -0.928 -12.376 -5.047 1.00 0.00 C ATOM 1526 CD LYS A 115 -1.336 -13.750 -5.552 1.00 0.00 C ATOM 1527 CE LYS A 115 -0.130 -14.630 -5.831 1.00 0.00 C ATOM 1528 NZ LYS A 115 0.646 -14.162 -7.010 1.00 0.00 N ATOM 0 H LYS A 115 -4.373 -10.438 -4.709 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.469 -13.055 -4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.567 -11.276 -5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -1.813 -10.508 -4.492 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -0.219 -11.925 -5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -0.417 -12.474 -4.089 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -1.975 -14.233 -4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -1.926 -13.642 -6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 115 0.518 -14.645 -4.954 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.461 -15.655 -6.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 1.354 -14.879 -7.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 0.001 -14.010 -7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 1.126 -13.269 -6.778 1.00 0.00 H new ATOM 1542 N LEU A 116 -2.833 -11.006 -1.812 1.00 0.00 N ATOM 1543 CA LEU A 116 -2.398 -10.958 -0.419 1.00 0.00 C ATOM 1544 C LEU A 116 -3.356 -11.741 0.477 1.00 0.00 C ATOM 1545 O LEU A 116 -2.938 -12.405 1.424 1.00 0.00 O ATOM 1546 CB LEU A 116 -2.291 -9.511 0.051 1.00 0.00 C ATOM 1547 CG LEU A 116 -1.256 -8.666 -0.700 1.00 0.00 C ATOM 1548 CD1 LEU A 116 -1.288 -7.224 -0.221 1.00 0.00 C ATOM 1549 CD2 LEU A 116 0.136 -9.250 -0.521 1.00 0.00 C ATOM 0 H LEU A 116 -3.211 -10.127 -2.166 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.414 -11.422 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -3.268 -9.038 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.042 -9.506 1.112 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.508 -8.681 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.545 -6.643 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.279 -6.804 -0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.063 -7.190 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.859 -8.638 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.391 -9.264 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.157 -10.267 -0.913 1.00 0.00 H new ATOM 1561 N ALA A 117 -4.643 -11.670 0.165 1.00 0.00 N ATOM 1562 CA ALA A 117 -5.637 -12.470 0.864 1.00 0.00 C ATOM 1563 C ALA A 117 -5.411 -13.947 0.562 1.00 0.00 C ATOM 1564 O ALA A 117 -5.547 -14.811 1.432 1.00 0.00 O ATOM 1565 CB ALA A 117 -7.040 -12.045 0.458 1.00 0.00 C ATOM 0 H ALA A 117 -5.022 -11.068 -0.566 1.00 0.00 H new ATOM 0 HA ALA A 117 -5.534 -12.311 1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -7.772 -12.653 0.989 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -7.189 -10.995 0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -7.165 -12.182 -0.616 1.00 0.00 H new ATOM 1571 N LYS A 118 -5.045 -14.214 -0.687 1.00 0.00 N ATOM 1572 CA LYS A 118 -4.724 -15.557 -1.149 1.00 0.00 C ATOM 1573 C LYS A 118 -3.439 -16.048 -0.477 1.00 0.00 C ATOM 1574 O LYS A 118 -3.170 -17.248 -0.422 1.00 0.00 O ATOM 1575 CB LYS A 118 -4.542 -15.548 -2.671 1.00 0.00 C ATOM 1576 CG LYS A 118 -4.730 -16.906 -3.331 1.00 0.00 C ATOM 1577 CD LYS A 118 -6.201 -17.223 -3.566 1.00 0.00 C ATOM 1578 CE LYS A 118 -6.847 -16.193 -4.482 1.00 0.00 C ATOM 1579 NZ LYS A 118 -8.254 -16.535 -4.826 1.00 0.00 N ATOM 0 H LYS A 118 -4.963 -13.500 -1.410 1.00 0.00 H new ATOM 0 HA LYS A 118 -5.541 -16.230 -0.887 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -5.251 -14.844 -3.106 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -3.543 -15.179 -2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -4.198 -16.924 -4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -4.287 -17.679 -2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -6.296 -18.215 -4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -6.728 -17.246 -2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -6.822 -15.216 -3.999 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -6.263 -16.110 -5.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -8.754 -15.677 -5.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -8.263 -17.236 -5.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -8.729 -16.932 -3.990 1.00 0.00 H new ATOM 1593 N LEU A 119 -2.662 -15.104 0.047 1.00 0.00 N ATOM 1594 CA LEU A 119 -1.401 -15.406 0.721 1.00 0.00 C ATOM 1595 C LEU A 119 -1.657 -15.865 2.161 1.00 0.00 C ATOM 1596 O LEU A 119 -0.752 -15.859 3.001 1.00 0.00 O ATOM 1597 CB LEU A 119 -0.524 -14.149 0.712 1.00 0.00 C ATOM 1598 CG LEU A 119 0.914 -14.336 1.190 1.00 0.00 C ATOM 1599 CD1 LEU A 119 1.708 -15.146 0.182 1.00 0.00 C ATOM 1600 CD2 LEU A 119 1.569 -12.986 1.443 1.00 0.00 C ATOM 0 H LEU A 119 -2.887 -14.110 0.017 1.00 0.00 H new ATOM 0 HA LEU A 119 -0.892 -16.214 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.500 -13.753 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -0.999 -13.393 1.338 1.00 0.00 H new ATOM 0 HG LEU A 119 0.900 -14.888 2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.730 -15.269 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.246 -16.126 0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.718 -14.626 -0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 119 2.594 -13.137 1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 119 1.575 -12.406 0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 119 1.009 -12.447 2.207 1.00 0.00 H new ATOM 1612 N GLU A 120 -2.893 -16.290 2.418 1.00 0.00 N ATOM 1613 CA GLU A 120 -3.352 -16.645 3.757 1.00 0.00 C ATOM 1614 C GLU A 120 -3.324 -15.428 4.667 1.00 0.00 C ATOM 1615 O GLU A 120 -2.384 -15.236 5.441 1.00 0.00 O ATOM 1616 CB GLU A 120 -2.517 -17.769 4.377 1.00 0.00 C ATOM 1617 CG GLU A 120 -2.598 -19.096 3.644 1.00 0.00 C ATOM 1618 CD GLU A 120 -1.845 -20.185 4.375 1.00 0.00 C ATOM 1619 OE1 GLU A 120 -0.599 -20.192 4.319 1.00 0.00 O ATOM 1620 OE2 GLU A 120 -2.493 -21.024 5.037 1.00 0.00 O ATOM 0 H GLU A 120 -3.607 -16.398 1.698 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.375 -17.006 3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.475 -17.452 4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.840 -17.918 5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.642 -19.387 3.533 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.190 -18.983 2.640 1.00 0.00 H new TER 1627 GLU A 120