USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 673 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 63 SER OG : rot 170:sc= -1.46 USER MOD Set 1.2: A 96 GLN : amide:sc= -1.24 K(o=-2.7,f=1.1) USER MOD Set 2.1: A 24 CYS SG : rot -110:sc= -0.726 USER MOD Set 2.2: A 78 LYS NZ :NH3+ 161:sc= -1.15 (180deg=-2.05!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -10.3! C(o=-10!,f=-10!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= -0.394 (180deg=-0.664) USER MOD Single : A 37 LYS NZ :NH3+ 174:sc= -1.26 (180deg=-1.39) USER MOD Single : A 42 SER OG : rot 180:sc= -1.08 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -90:sc= -0.971 USER MOD Single : A 48 HIS : no HD1:sc= -3.27 K(o=-3.3,f=-4.8!) USER MOD Single : A 49 MET CE :methyl 170:sc= -6.04! (180deg=-6.58!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -5.67! C(o=-5.7!,f=-6.5!) USER MOD Single : A 64 GLN : amide:sc= -11.8! C(o=-12!,f=-15!) USER MOD Single : A 69 SER OG : rot 102:sc= 1.1 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.203 USER MOD Single : A 76 LYS NZ :NH3+ 164:sc= -0.0488 (180deg=-0.332) USER MOD Single : A 77 MET CE :methyl -154:sc= -4.57! (180deg=-5.11!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -135:sc= -0.0282 (180deg=-0.269) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -2.48 K(o=-2.5,f=-6.1!) USER MOD Single : A 95 SER OG : rot -48:sc= 0.633 USER MOD Single : A 99 GLN : amide:sc= -1.3 K(o=-1.3,f=-6.4!) USER MOD Single : A 100 ASN : amide:sc= -0.0211 K(o=-0.021,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 21 -16.975 -1.459 7.144 1.00 0.00 N ATOM 2 CA GLY A 21 -16.357 -2.713 7.658 1.00 0.00 C ATOM 3 C GLY A 21 -15.099 -3.092 6.903 1.00 0.00 C ATOM 4 O GLY A 21 -14.366 -2.223 6.428 1.00 0.00 O ATOM 0 HA2 GLY A 21 -16.120 -2.591 8.715 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.079 -3.526 7.586 1.00 0.00 H new ATOM 8 N TYR A 22 -14.847 -4.391 6.790 1.00 0.00 N ATOM 9 CA TYR A 22 -13.669 -4.885 6.087 1.00 0.00 C ATOM 10 C TYR A 22 -14.019 -5.285 4.657 1.00 0.00 C ATOM 11 O TYR A 22 -14.395 -6.429 4.397 1.00 0.00 O ATOM 12 CB TYR A 22 -13.068 -6.077 6.834 1.00 0.00 C ATOM 13 CG TYR A 22 -12.655 -5.757 8.252 1.00 0.00 C ATOM 14 CD1 TYR A 22 -11.454 -5.111 8.518 1.00 0.00 C ATOM 15 CD2 TYR A 22 -13.466 -6.101 9.326 1.00 0.00 C ATOM 16 CE1 TYR A 22 -11.073 -4.817 9.813 1.00 0.00 C ATOM 17 CE2 TYR A 22 -13.092 -5.809 10.625 1.00 0.00 C ATOM 18 CZ TYR A 22 -11.896 -5.168 10.863 1.00 0.00 C ATOM 19 OH TYR A 22 -11.521 -4.876 12.154 1.00 0.00 O ATOM 0 H TYR A 22 -15.444 -5.122 7.177 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.933 -4.082 6.049 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -13.795 -6.889 6.851 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -12.199 -6.439 6.284 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -10.807 -4.834 7.699 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -14.404 -6.605 9.144 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -10.136 -4.315 10.002 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -13.734 -6.082 11.449 1.00 0.00 H new ATOM 0 HH TYR A 22 -12.212 -5.189 12.774 1.00 0.00 H new ATOM 29 N GLU A 23 -13.890 -4.338 3.733 1.00 0.00 N ATOM 30 CA GLU A 23 -14.194 -4.592 2.330 1.00 0.00 C ATOM 31 C GLU A 23 -12.944 -5.014 1.562 1.00 0.00 C ATOM 32 O GLU A 23 -12.772 -6.189 1.239 1.00 0.00 O ATOM 33 CB GLU A 23 -14.809 -3.348 1.685 1.00 0.00 C ATOM 34 CG GLU A 23 -16.139 -2.942 2.297 1.00 0.00 C ATOM 35 CD GLU A 23 -16.717 -1.694 1.659 1.00 0.00 C ATOM 36 OE1 GLU A 23 -17.388 -1.818 0.613 1.00 0.00 O ATOM 37 OE2 GLU A 23 -16.499 -0.592 2.206 1.00 0.00 O ATOM 0 H GLU A 23 -13.577 -3.388 3.931 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.914 -5.410 2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.108 -2.518 1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -14.950 -3.533 0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -16.849 -3.762 2.191 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.006 -2.771 3.365 1.00 0.00 H new ATOM 44 N CYS A 24 -12.073 -4.051 1.274 1.00 0.00 N ATOM 45 CA CYS A 24 -10.842 -4.331 0.545 1.00 0.00 C ATOM 46 C CYS A 24 -9.625 -4.127 1.442 1.00 0.00 C ATOM 47 O CYS A 24 -9.223 -2.999 1.706 1.00 0.00 O ATOM 48 CB CYS A 24 -10.750 -3.435 -0.692 1.00 0.00 C ATOM 49 SG CYS A 24 -12.267 -3.406 -1.674 1.00 0.00 S ATOM 0 H CYS A 24 -12.197 -3.073 1.534 1.00 0.00 H new ATOM 0 HA CYS A 24 -10.857 -5.373 0.225 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -10.510 -2.419 -0.378 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -9.927 -3.778 -1.319 1.00 0.00 H new ATOM 0 HG CYS A 24 -12.067 -4.025 -2.799 1.00 0.00 H new ATOM 55 N GLN A 25 -9.050 -5.227 1.916 1.00 0.00 N ATOM 56 CA GLN A 25 -7.884 -5.175 2.787 1.00 0.00 C ATOM 57 C GLN A 25 -6.650 -5.653 2.035 1.00 0.00 C ATOM 58 O GLN A 25 -6.453 -6.853 1.841 1.00 0.00 O ATOM 59 CB GLN A 25 -8.100 -6.038 4.033 1.00 0.00 C ATOM 60 CG GLN A 25 -9.130 -5.485 5.007 1.00 0.00 C ATOM 61 CD GLN A 25 -10.490 -5.267 4.375 1.00 0.00 C ATOM 62 OE1 GLN A 25 -11.306 -6.185 4.295 1.00 0.00 O ATOM 63 NE2 GLN A 25 -10.744 -4.043 3.932 1.00 0.00 N ATOM 0 H GLN A 25 -9.376 -6.171 1.709 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.736 -4.142 3.102 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.411 -7.035 3.721 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.149 -6.149 4.553 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.232 -6.172 5.847 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -8.768 -4.540 5.411 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.038 -3.312 4.019 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.646 -3.832 3.504 1.00 0.00 H new ATOM 72 N LEU A 26 -5.824 -4.707 1.617 1.00 0.00 N ATOM 73 CA LEU A 26 -4.612 -5.031 0.868 1.00 0.00 C ATOM 74 C LEU A 26 -3.408 -5.166 1.794 1.00 0.00 C ATOM 75 O LEU A 26 -3.233 -4.372 2.719 1.00 0.00 O ATOM 76 CB LEU A 26 -4.348 -3.965 -0.197 1.00 0.00 C ATOM 77 CG LEU A 26 -3.418 -4.400 -1.329 1.00 0.00 C ATOM 78 CD1 LEU A 26 -3.484 -3.415 -2.487 1.00 0.00 C ATOM 79 CD2 LEU A 26 -1.994 -4.536 -0.820 1.00 0.00 C ATOM 0 H LEU A 26 -5.967 -3.710 1.781 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.766 -5.992 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.301 -3.659 -0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.920 -3.087 0.287 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.748 -5.373 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.815 -3.743 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.504 -3.369 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.180 -2.427 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.343 -4.846 -1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.654 -3.577 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.961 -5.283 -0.027 1.00 0.00 H new ATOM 91 N ARG A 27 -2.576 -6.174 1.530 1.00 0.00 N ATOM 92 CA ARG A 27 -1.395 -6.428 2.346 1.00 0.00 C ATOM 93 C ARG A 27 -0.184 -5.651 1.827 1.00 0.00 C ATOM 94 O ARG A 27 0.047 -5.575 0.622 1.00 0.00 O ATOM 95 CB ARG A 27 -1.086 -7.927 2.361 1.00 0.00 C ATOM 96 CG ARG A 27 -0.065 -8.340 3.408 1.00 0.00 C ATOM 97 CD ARG A 27 -0.663 -8.337 4.804 1.00 0.00 C ATOM 98 NE ARG A 27 0.207 -8.987 5.778 1.00 0.00 N ATOM 99 CZ ARG A 27 -0.124 -9.189 7.051 1.00 0.00 C ATOM 100 NH1 ARG A 27 -1.307 -8.792 7.506 1.00 0.00 N ATOM 101 NH2 ARG A 27 0.726 -9.790 7.871 1.00 0.00 N ATOM 0 H ARG A 27 -2.701 -6.827 0.756 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.604 -6.089 3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.011 -8.476 2.535 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.721 -8.222 1.377 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.313 -9.336 3.176 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.786 -7.660 3.375 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.850 -7.309 5.115 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.627 -8.844 4.785 1.00 0.00 H new ATOM 0 HE ARG A 27 1.124 -9.306 5.465 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.966 -8.330 6.879 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.557 -8.949 8.482 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.635 -10.098 7.527 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.471 -9.944 8.847 1.00 0.00 H new ATOM 115 N LEU A 28 0.589 -5.076 2.740 1.00 0.00 N ATOM 116 CA LEU A 28 1.778 -4.315 2.365 1.00 0.00 C ATOM 117 C LEU A 28 3.042 -5.018 2.828 1.00 0.00 C ATOM 118 O LEU A 28 3.022 -5.750 3.814 1.00 0.00 O ATOM 119 CB LEU A 28 1.735 -2.917 2.980 1.00 0.00 C ATOM 120 CG LEU A 28 1.155 -1.836 2.079 1.00 0.00 C ATOM 121 CD1 LEU A 28 2.134 -1.520 0.961 1.00 0.00 C ATOM 122 CD2 LEU A 28 -0.188 -2.274 1.517 1.00 0.00 C ATOM 0 H LEU A 28 0.416 -5.121 3.744 1.00 0.00 H new ATOM 0 HA LEU A 28 1.789 -4.237 1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.148 -2.958 3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.748 -2.629 3.262 1.00 0.00 H new ATOM 0 HG LEU A 28 0.993 -0.932 2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.715 -0.746 0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.073 -1.168 1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.318 -2.419 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.587 -1.489 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.059 -3.187 0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.882 -2.461 2.337 1.00 0.00 H new ATOM 134 N ARG A 29 4.138 -4.782 2.110 1.00 0.00 N ATOM 135 CA ARG A 29 5.429 -5.371 2.456 1.00 0.00 C ATOM 136 C ARG A 29 6.537 -4.340 2.267 1.00 0.00 C ATOM 137 O ARG A 29 7.057 -4.166 1.165 1.00 0.00 O ATOM 138 CB ARG A 29 5.703 -6.613 1.604 1.00 0.00 C ATOM 139 CG ARG A 29 7.033 -7.281 1.914 1.00 0.00 C ATOM 140 CD ARG A 29 7.245 -8.520 1.059 1.00 0.00 C ATOM 141 NE ARG A 29 8.514 -9.180 1.358 1.00 0.00 N ATOM 142 CZ ARG A 29 8.900 -10.329 0.809 1.00 0.00 C ATOM 143 NH1 ARG A 29 8.117 -10.950 -0.066 1.00 0.00 N ATOM 144 NH2 ARG A 29 10.069 -10.860 1.136 1.00 0.00 N ATOM 0 H ARG A 29 4.157 -4.185 1.283 1.00 0.00 H new ATOM 0 HA ARG A 29 5.404 -5.676 3.502 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.899 -7.333 1.757 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.683 -6.333 0.551 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.845 -6.575 1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.067 -7.555 2.969 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.425 -9.219 1.224 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.220 -8.242 0.005 1.00 0.00 H new ATOM 0 HE ARG A 29 9.141 -8.733 2.027 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.215 -10.546 -0.320 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.417 -11.831 -0.484 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.673 -10.388 1.809 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.365 -11.741 0.715 1.00 0.00 H new ATOM 158 N LEU A 30 6.898 -3.666 3.354 1.00 0.00 N ATOM 159 CA LEU A 30 7.918 -2.623 3.318 1.00 0.00 C ATOM 160 C LEU A 30 9.325 -3.198 3.401 1.00 0.00 C ATOM 161 O LEU A 30 9.556 -4.239 4.018 1.00 0.00 O ATOM 162 CB LEU A 30 7.671 -1.666 4.469 1.00 0.00 C ATOM 163 CG LEU A 30 7.013 -0.317 4.174 1.00 0.00 C ATOM 164 CD1 LEU A 30 7.518 0.309 2.884 1.00 0.00 C ATOM 165 CD2 LEU A 30 5.498 -0.469 4.181 1.00 0.00 C ATOM 0 H LEU A 30 6.496 -3.825 4.278 1.00 0.00 H new ATOM 0 HA LEU A 30 7.847 -2.098 2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.051 -2.183 5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.631 -1.468 4.946 1.00 0.00 H new ATOM 0 HG LEU A 30 7.296 0.376 4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.018 1.264 2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.594 0.470 2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.305 -0.357 2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.035 0.495 3.970 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.201 -1.189 3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.172 -0.822 5.159 1.00 0.00 H new ATOM 177 N SER A 31 10.257 -2.473 2.794 1.00 0.00 N ATOM 178 CA SER A 31 11.662 -2.871 2.744 1.00 0.00 C ATOM 179 C SER A 31 12.254 -3.010 4.138 1.00 0.00 C ATOM 180 O SER A 31 13.272 -3.676 4.321 1.00 0.00 O ATOM 181 CB SER A 31 12.476 -1.856 1.942 1.00 0.00 C ATOM 182 OG SER A 31 13.837 -2.244 1.861 1.00 0.00 O ATOM 0 H SER A 31 10.061 -1.591 2.321 1.00 0.00 H new ATOM 0 HA SER A 31 11.708 -3.843 2.254 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.061 -1.763 0.939 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.402 -0.874 2.410 1.00 0.00 H new ATOM 0 HG SER A 31 14.336 -1.579 1.342 1.00 0.00 H new ATOM 188 N THR A 32 11.622 -2.378 5.120 1.00 0.00 N ATOM 189 CA THR A 32 12.102 -2.458 6.491 1.00 0.00 C ATOM 190 C THR A 32 11.391 -3.582 7.226 1.00 0.00 C ATOM 191 O THR A 32 11.344 -3.605 8.456 1.00 0.00 O ATOM 192 CB THR A 32 11.883 -1.136 7.248 1.00 0.00 C ATOM 193 OG1 THR A 32 10.502 -0.758 7.190 1.00 0.00 O ATOM 194 CG2 THR A 32 12.744 -0.028 6.661 1.00 0.00 C ATOM 0 H THR A 32 10.784 -1.810 4.993 1.00 0.00 H new ATOM 0 HA THR A 32 13.173 -2.657 6.453 1.00 0.00 H new ATOM 0 HB THR A 32 12.172 -1.287 8.288 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.372 0.083 7.676 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.572 0.897 7.212 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.795 -0.306 6.736 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.482 0.120 5.613 1.00 0.00 H new ATOM 202 N GLY A 33 10.835 -4.516 6.458 1.00 0.00 N ATOM 203 CA GLY A 33 10.116 -5.617 7.044 1.00 0.00 C ATOM 204 C GLY A 33 8.801 -5.139 7.592 1.00 0.00 C ATOM 205 O GLY A 33 8.340 -5.610 8.632 1.00 0.00 O ATOM 0 H GLY A 33 10.874 -4.523 5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.948 -6.391 6.296 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.709 -6.067 7.840 1.00 0.00 H new ATOM 209 N LYS A 34 8.191 -4.190 6.884 1.00 0.00 N ATOM 210 CA LYS A 34 6.931 -3.627 7.328 1.00 0.00 C ATOM 211 C LYS A 34 5.771 -4.170 6.512 1.00 0.00 C ATOM 212 O LYS A 34 5.320 -3.554 5.547 1.00 0.00 O ATOM 213 CB LYS A 34 6.989 -2.099 7.285 1.00 0.00 C ATOM 214 CG LYS A 34 6.632 -1.437 8.603 1.00 0.00 C ATOM 215 CD LYS A 34 5.139 -1.155 8.707 1.00 0.00 C ATOM 216 CE LYS A 34 4.322 -2.436 8.779 1.00 0.00 C ATOM 217 NZ LYS A 34 3.611 -2.568 10.081 1.00 0.00 N ATOM 0 H LYS A 34 8.549 -3.803 6.011 1.00 0.00 H new ATOM 0 HA LYS A 34 6.761 -3.927 8.362 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.993 -1.791 6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.309 -1.740 6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.939 -2.080 9.428 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.186 -0.504 8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.945 -0.551 9.593 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.820 -0.569 7.845 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.596 -2.450 7.966 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.979 -3.294 8.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.220 -3.528 10.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.278 -2.394 10.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.838 -1.874 10.126 1.00 0.00 H new ATOM 231 N ASP A 35 5.294 -5.338 6.926 1.00 0.00 N ATOM 232 CA ASP A 35 4.195 -6.005 6.265 1.00 0.00 C ATOM 233 C ASP A 35 2.924 -5.831 7.076 1.00 0.00 C ATOM 234 O ASP A 35 2.781 -6.386 8.165 1.00 0.00 O ATOM 235 CB ASP A 35 4.520 -7.490 6.077 1.00 0.00 C ATOM 236 CG ASP A 35 3.367 -8.277 5.487 1.00 0.00 C ATOM 237 OD1 ASP A 35 3.135 -8.167 4.265 1.00 0.00 O ATOM 238 OD2 ASP A 35 2.699 -9.006 6.248 1.00 0.00 O ATOM 0 H ASP A 35 5.663 -5.844 7.731 1.00 0.00 H new ATOM 0 HA ASP A 35 4.042 -5.560 5.282 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.389 -7.587 5.427 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.793 -7.922 7.040 1.00 0.00 H new ATOM 243 N LEU A 36 2.007 -5.055 6.530 1.00 0.00 N ATOM 244 CA LEU A 36 0.744 -4.776 7.201 1.00 0.00 C ATOM 245 C LEU A 36 -0.373 -4.571 6.188 1.00 0.00 C ATOM 246 O LEU A 36 -0.260 -3.753 5.277 1.00 0.00 O ATOM 247 CB LEU A 36 0.885 -3.534 8.087 1.00 0.00 C ATOM 248 CG LEU A 36 -0.285 -3.264 9.039 1.00 0.00 C ATOM 249 CD1 LEU A 36 0.116 -2.250 10.098 1.00 0.00 C ATOM 250 CD2 LEU A 36 -1.503 -2.773 8.271 1.00 0.00 C ATOM 0 H LEU A 36 2.110 -4.604 5.621 1.00 0.00 H new ATOM 0 HA LEU A 36 0.488 -5.633 7.824 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.796 -3.633 8.678 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.015 -2.664 7.444 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.546 -4.200 9.533 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.726 -2.069 10.766 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.958 -2.637 10.672 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.404 -1.316 9.616 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.321 -2.588 8.967 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.255 -1.849 7.748 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.806 -3.530 7.547 1.00 0.00 H new ATOM 262 N LYS A 37 -1.452 -5.320 6.356 1.00 0.00 N ATOM 263 CA LYS A 37 -2.593 -5.224 5.460 1.00 0.00 C ATOM 264 C LYS A 37 -3.520 -4.090 5.887 1.00 0.00 C ATOM 265 O LYS A 37 -4.272 -4.214 6.853 1.00 0.00 O ATOM 266 CB LYS A 37 -3.330 -6.565 5.423 1.00 0.00 C ATOM 267 CG LYS A 37 -4.753 -6.500 4.895 1.00 0.00 C ATOM 268 CD LYS A 37 -5.405 -7.874 4.909 1.00 0.00 C ATOM 269 CE LYS A 37 -5.548 -8.405 6.327 1.00 0.00 C ATOM 270 NZ LYS A 37 -6.196 -9.745 6.357 1.00 0.00 N ATOM 0 H LYS A 37 -1.561 -6.002 7.106 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.242 -4.995 4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.760 -7.259 4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.351 -6.979 6.431 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.339 -5.810 5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.750 -6.106 3.879 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.387 -7.817 4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.808 -8.568 4.317 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.564 -8.467 6.792 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.136 -7.704 6.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.183 -10.115 7.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.180 -9.662 6.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.678 -10.395 5.732 1.00 0.00 H new ATOM 284 N LEU A 38 -3.452 -2.984 5.153 1.00 0.00 N ATOM 285 CA LEU A 38 -4.268 -1.813 5.443 1.00 0.00 C ATOM 286 C LEU A 38 -5.636 -1.916 4.762 1.00 0.00 C ATOM 287 O LEU A 38 -5.760 -2.446 3.652 1.00 0.00 O ATOM 288 CB LEU A 38 -3.532 -0.539 4.994 1.00 0.00 C ATOM 289 CG LEU A 38 -4.415 0.687 4.748 1.00 0.00 C ATOM 290 CD1 LEU A 38 -4.909 1.264 6.065 1.00 0.00 C ATOM 291 CD2 LEU A 38 -3.646 1.735 3.962 1.00 0.00 C ATOM 0 H LEU A 38 -2.835 -2.875 4.348 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.435 -1.763 6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.791 -0.284 5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.987 -0.761 4.077 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.283 0.380 4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.535 2.135 5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.491 0.511 6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.056 1.561 6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.283 2.603 3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.763 2.037 4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.339 1.318 3.003 1.00 0.00 H new ATOM 303 N VAL A 39 -6.657 -1.411 5.451 1.00 0.00 N ATOM 304 CA VAL A 39 -8.022 -1.422 4.939 1.00 0.00 C ATOM 305 C VAL A 39 -8.204 -0.375 3.842 1.00 0.00 C ATOM 306 O VAL A 39 -7.656 0.724 3.923 1.00 0.00 O ATOM 307 CB VAL A 39 -9.040 -1.152 6.067 1.00 0.00 C ATOM 308 CG1 VAL A 39 -8.809 0.220 6.684 1.00 0.00 C ATOM 309 CG2 VAL A 39 -10.466 -1.278 5.552 1.00 0.00 C ATOM 0 H VAL A 39 -6.561 -0.986 6.373 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.202 -2.413 4.523 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.893 -1.904 6.843 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.537 0.390 7.477 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.803 0.267 7.100 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.921 0.987 5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.165 -1.083 6.365 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.629 -0.555 4.752 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.627 -2.286 5.169 1.00 0.00 H new ATOM 319 N VAL A 40 -8.979 -0.726 2.822 1.00 0.00 N ATOM 320 CA VAL A 40 -9.241 0.179 1.710 1.00 0.00 C ATOM 321 C VAL A 40 -10.556 -0.172 1.023 1.00 0.00 C ATOM 322 O VAL A 40 -11.125 -1.240 1.258 1.00 0.00 O ATOM 323 CB VAL A 40 -8.097 0.144 0.672 1.00 0.00 C ATOM 324 CG1 VAL A 40 -6.840 0.772 1.247 1.00 0.00 C ATOM 325 CG2 VAL A 40 -7.819 -1.279 0.218 1.00 0.00 C ATOM 0 H VAL A 40 -9.438 -1.634 2.743 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.307 1.185 2.124 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.410 0.723 -0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.044 0.739 0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.042 1.809 1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.530 0.220 2.134 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.010 -1.276 -0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.531 -1.885 1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.717 -1.698 -0.237 1.00 0.00 H new ATOM 335 N ARG A 41 -11.042 0.735 0.182 1.00 0.00 N ATOM 336 CA ARG A 41 -12.284 0.522 -0.539 1.00 0.00 C ATOM 337 C ARG A 41 -12.321 1.344 -1.825 1.00 0.00 C ATOM 338 O ARG A 41 -12.530 2.551 -1.784 1.00 0.00 O ATOM 339 CB ARG A 41 -13.481 0.875 0.350 1.00 0.00 C ATOM 340 CG ARG A 41 -14.828 0.668 -0.324 1.00 0.00 C ATOM 341 CD ARG A 41 -15.304 1.928 -1.031 1.00 0.00 C ATOM 342 NE ARG A 41 -15.482 3.043 -0.104 1.00 0.00 N ATOM 343 CZ ARG A 41 -16.147 4.156 -0.403 1.00 0.00 C ATOM 344 NH1 ARG A 41 -16.701 4.306 -1.601 1.00 0.00 N ATOM 345 NH2 ARG A 41 -16.262 5.122 0.498 1.00 0.00 N ATOM 0 H ARG A 41 -10.589 1.628 -0.015 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.342 -0.532 -0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.441 0.269 1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.397 1.917 0.660 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.753 -0.147 -1.044 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.565 0.368 0.421 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.583 2.207 -1.799 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -16.247 1.725 -1.538 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.073 2.964 0.827 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.618 3.566 -2.298 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.210 5.162 -1.824 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.841 5.012 1.420 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.772 5.975 0.269 1.00 0.00 H new ATOM 359 N SER A 42 -12.090 0.663 -2.948 1.00 0.00 N ATOM 360 CA SER A 42 -12.097 1.248 -4.299 1.00 0.00 C ATOM 361 C SER A 42 -11.489 2.654 -4.397 1.00 0.00 C ATOM 362 O SER A 42 -10.667 2.912 -5.277 1.00 0.00 O ATOM 363 CB SER A 42 -13.527 1.278 -4.839 1.00 0.00 C ATOM 364 OG SER A 42 -14.374 2.046 -4.003 1.00 0.00 O ATOM 0 H SER A 42 -11.887 -0.337 -2.948 1.00 0.00 H new ATOM 0 HA SER A 42 -11.456 0.602 -4.899 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.530 1.696 -5.846 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.911 0.261 -4.915 1.00 0.00 H new ATOM 0 HG SER A 42 -15.282 2.050 -4.372 1.00 0.00 H new ATOM 370 N THR A 43 -11.875 3.559 -3.511 1.00 0.00 N ATOM 371 CA THR A 43 -11.339 4.910 -3.530 1.00 0.00 C ATOM 372 C THR A 43 -10.083 5.018 -2.675 1.00 0.00 C ATOM 373 O THR A 43 -9.381 6.027 -2.720 1.00 0.00 O ATOM 374 CB THR A 43 -12.376 5.933 -3.027 1.00 0.00 C ATOM 375 OG1 THR A 43 -12.757 5.624 -1.681 1.00 0.00 O ATOM 376 CG2 THR A 43 -13.608 5.935 -3.919 1.00 0.00 C ATOM 0 H THR A 43 -12.556 3.383 -2.772 1.00 0.00 H new ATOM 0 HA THR A 43 -11.089 5.134 -4.567 1.00 0.00 H new ATOM 0 HB THR A 43 -11.922 6.923 -3.057 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.415 6.280 -1.369 1.00 0.00 H new ATOM 0 HG21 THR A 43 -14.327 6.664 -3.545 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.320 6.198 -4.937 1.00 0.00 H new ATOM 0 HG23 THR A 43 -14.062 4.944 -3.915 1.00 0.00 H new ATOM 384 N ASP A 44 -9.800 3.977 -1.894 1.00 0.00 N ATOM 385 CA ASP A 44 -8.623 3.983 -1.032 1.00 0.00 C ATOM 386 C ASP A 44 -7.445 3.250 -1.678 1.00 0.00 C ATOM 387 O ASP A 44 -6.734 2.497 -1.014 1.00 0.00 O ATOM 388 CB ASP A 44 -8.949 3.360 0.325 1.00 0.00 C ATOM 389 CG ASP A 44 -10.101 4.059 1.021 1.00 0.00 C ATOM 390 OD1 ASP A 44 -9.845 5.019 1.777 1.00 0.00 O ATOM 391 OD2 ASP A 44 -11.261 3.646 0.807 1.00 0.00 O ATOM 0 H ASP A 44 -10.363 3.128 -1.841 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.331 5.023 -0.886 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.196 2.307 0.188 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.065 3.400 0.962 1.00 0.00 H new ATOM 396 N THR A 45 -7.245 3.475 -2.973 1.00 0.00 N ATOM 397 CA THR A 45 -6.147 2.843 -3.703 1.00 0.00 C ATOM 398 C THR A 45 -4.802 3.193 -3.084 1.00 0.00 C ATOM 399 O THR A 45 -4.734 4.024 -2.187 1.00 0.00 O ATOM 400 CB THR A 45 -6.142 3.264 -5.182 1.00 0.00 C ATOM 401 OG1 THR A 45 -6.079 4.693 -5.290 1.00 0.00 O ATOM 402 CG2 THR A 45 -7.386 2.749 -5.887 1.00 0.00 C ATOM 0 H THR A 45 -7.828 4.090 -3.540 1.00 0.00 H new ATOM 0 HA THR A 45 -6.304 1.766 -3.639 1.00 0.00 H new ATOM 0 HB THR A 45 -5.263 2.831 -5.659 1.00 0.00 H new ATOM 0 HG1 THR A 45 -6.987 5.060 -5.308 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.365 3.057 -6.933 1.00 0.00 H new ATOM 0 HG22 THR A 45 -7.413 1.661 -5.829 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.273 3.160 -5.406 1.00 0.00 H new ATOM 410 N VAL A 46 -3.742 2.553 -3.575 1.00 0.00 N ATOM 411 CA VAL A 46 -2.373 2.773 -3.092 1.00 0.00 C ATOM 412 C VAL A 46 -2.142 4.200 -2.561 1.00 0.00 C ATOM 413 O VAL A 46 -1.322 4.402 -1.670 1.00 0.00 O ATOM 414 CB VAL A 46 -1.335 2.420 -4.190 1.00 0.00 C ATOM 415 CG1 VAL A 46 -0.110 3.319 -4.119 1.00 0.00 C ATOM 416 CG2 VAL A 46 -0.922 0.954 -4.066 1.00 0.00 C ATOM 0 H VAL A 46 -3.805 1.863 -4.323 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.234 2.101 -2.245 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.807 2.583 -5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.592 3.039 -4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.412 4.357 -4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.369 3.205 -3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.193 0.715 -4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.479 0.783 -3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.799 0.318 -4.184 1.00 0.00 H new ATOM 426 N PHE A 47 -2.855 5.181 -3.109 1.00 0.00 N ATOM 427 CA PHE A 47 -2.731 6.566 -2.650 1.00 0.00 C ATOM 428 C PHE A 47 -3.258 6.678 -1.233 1.00 0.00 C ATOM 429 O PHE A 47 -2.516 7.018 -0.314 1.00 0.00 O ATOM 430 CB PHE A 47 -3.488 7.504 -3.581 1.00 0.00 C ATOM 431 CG PHE A 47 -3.490 8.938 -3.130 1.00 0.00 C ATOM 432 CD1 PHE A 47 -4.336 9.355 -2.114 1.00 0.00 C ATOM 433 CD2 PHE A 47 -2.646 9.868 -3.717 1.00 0.00 C ATOM 434 CE1 PHE A 47 -4.341 10.672 -1.694 1.00 0.00 C ATOM 435 CE2 PHE A 47 -2.646 11.186 -3.301 1.00 0.00 C ATOM 436 CZ PHE A 47 -3.495 11.588 -2.287 1.00 0.00 C ATOM 0 H PHE A 47 -3.522 5.046 -3.868 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.680 6.856 -2.661 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.047 7.447 -4.576 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.518 7.159 -3.669 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.999 8.643 -1.645 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.980 9.559 -4.509 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.006 10.984 -0.903 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.984 11.900 -3.767 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.497 12.617 -1.959 1.00 0.00 H new ATOM 446 N HIS A 48 -4.544 6.417 -1.046 1.00 0.00 N ATOM 447 CA HIS A 48 -5.096 6.437 0.294 1.00 0.00 C ATOM 448 C HIS A 48 -4.403 5.341 1.073 1.00 0.00 C ATOM 449 O HIS A 48 -4.061 5.498 2.245 1.00 0.00 O ATOM 450 CB HIS A 48 -6.592 6.212 0.284 1.00 0.00 C ATOM 451 CG HIS A 48 -7.353 7.267 -0.458 1.00 0.00 C ATOM 452 ND1 HIS A 48 -7.366 7.361 -1.833 1.00 0.00 N ATOM 453 CD2 HIS A 48 -8.128 8.283 -0.006 1.00 0.00 C ATOM 454 CE1 HIS A 48 -8.114 8.390 -2.196 1.00 0.00 C ATOM 455 NE2 HIS A 48 -8.587 8.964 -1.106 1.00 0.00 N ATOM 0 H HIS A 48 -5.208 6.194 -1.787 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.931 7.412 0.752 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.802 5.241 -0.165 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.952 6.172 1.312 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.344 8.514 1.027 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.305 8.706 -3.211 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.196 9.782 -1.084 1.00 0.00 H new ATOM 464 N MET A 49 -4.207 4.209 0.399 1.00 0.00 N ATOM 465 CA MET A 49 -3.476 3.103 0.978 1.00 0.00 C ATOM 466 C MET A 49 -2.173 3.664 1.532 1.00 0.00 C ATOM 467 O MET A 49 -1.704 3.279 2.601 1.00 0.00 O ATOM 468 CB MET A 49 -3.175 2.044 -0.079 1.00 0.00 C ATOM 469 CG MET A 49 -3.061 0.637 0.480 1.00 0.00 C ATOM 470 SD MET A 49 -2.258 -0.495 -0.666 1.00 0.00 S ATOM 471 CE MET A 49 -0.593 0.167 -0.679 1.00 0.00 C ATOM 0 H MET A 49 -4.547 4.042 -0.548 1.00 0.00 H new ATOM 0 HA MET A 49 -4.066 2.630 1.763 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.962 2.063 -0.833 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.244 2.301 -0.583 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.498 0.664 1.413 1.00 0.00 H new ATOM 0 HG3 MET A 49 -4.056 0.262 0.719 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.069 -0.524 -1.200 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.588 1.129 -1.191 1.00 0.00 H new ATOM 0 HE3 MET A 49 -0.246 0.299 0.346 1.00 0.00 H new ATOM 481 N LYS A 50 -1.619 4.601 0.760 1.00 0.00 N ATOM 482 CA LYS A 50 -0.397 5.306 1.110 1.00 0.00 C ATOM 483 C LYS A 50 -0.689 6.256 2.256 1.00 0.00 C ATOM 484 O LYS A 50 0.123 6.431 3.165 1.00 0.00 O ATOM 485 CB LYS A 50 0.117 6.093 -0.108 1.00 0.00 C ATOM 486 CG LYS A 50 1.251 7.060 0.200 1.00 0.00 C ATOM 487 CD LYS A 50 1.477 8.036 -0.943 1.00 0.00 C ATOM 488 CE LYS A 50 2.621 8.991 -0.640 1.00 0.00 C ATOM 489 NZ LYS A 50 2.864 9.940 -1.762 1.00 0.00 N ATOM 0 H LYS A 50 -2.015 4.890 -0.134 1.00 0.00 H new ATOM 0 HA LYS A 50 0.368 4.591 1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.455 5.386 -0.866 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.713 6.652 -0.541 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.022 7.612 1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.167 6.500 0.388 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.695 7.484 -1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.565 8.605 -1.124 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.395 9.552 0.267 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.529 8.420 -0.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.651 10.574 -1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.104 9.407 -2.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.006 10.503 -1.932 1.00 0.00 H new ATOM 503 N ARG A 51 -1.870 6.870 2.200 1.00 0.00 N ATOM 504 CA ARG A 51 -2.295 7.799 3.229 1.00 0.00 C ATOM 505 C ARG A 51 -2.248 7.124 4.599 1.00 0.00 C ATOM 506 O ARG A 51 -1.606 7.607 5.537 1.00 0.00 O ATOM 507 CB ARG A 51 -3.707 8.318 2.946 1.00 0.00 C ATOM 508 CG ARG A 51 -3.769 9.311 1.797 1.00 0.00 C ATOM 509 CD ARG A 51 -3.109 10.631 2.163 1.00 0.00 C ATOM 510 NE ARG A 51 -3.792 11.296 3.271 1.00 0.00 N ATOM 511 CZ ARG A 51 -3.628 12.580 3.579 1.00 0.00 C ATOM 512 NH1 ARG A 51 -2.808 13.341 2.865 1.00 0.00 N ATOM 513 NH2 ARG A 51 -4.287 13.106 4.603 1.00 0.00 N ATOM 0 H ARG A 51 -2.546 6.736 1.448 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.611 8.648 3.227 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.358 7.473 2.721 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.099 8.791 3.846 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.276 8.887 0.922 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.809 9.487 1.523 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.068 10.453 2.433 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.105 11.288 1.293 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.432 10.743 3.842 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.300 12.942 2.076 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.686 14.325 3.106 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.920 12.526 5.154 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.161 14.090 4.839 1.00 0.00 H new ATOM 527 N ARG A 52 -2.916 5.983 4.692 1.00 0.00 N ATOM 528 CA ARG A 52 -2.971 5.227 5.933 1.00 0.00 C ATOM 529 C ARG A 52 -1.685 4.437 6.151 1.00 0.00 C ATOM 530 O ARG A 52 -1.362 4.076 7.280 1.00 0.00 O ATOM 531 CB ARG A 52 -4.178 4.290 5.940 1.00 0.00 C ATOM 532 CG ARG A 52 -5.489 4.989 6.263 1.00 0.00 C ATOM 533 CD ARG A 52 -5.829 6.047 5.225 1.00 0.00 C ATOM 534 NE ARG A 52 -7.103 6.702 5.510 1.00 0.00 N ATOM 535 CZ ARG A 52 -7.709 7.538 4.671 1.00 0.00 C ATOM 536 NH1 ARG A 52 -7.162 7.824 3.496 1.00 0.00 N ATOM 537 NH2 ARG A 52 -8.866 8.092 5.008 1.00 0.00 N ATOM 0 H ARG A 52 -3.429 5.560 3.919 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.077 5.937 6.753 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.262 3.812 4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.009 3.498 6.670 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.292 4.254 6.311 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.422 5.452 7.247 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.036 6.794 5.195 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.871 5.587 4.238 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.554 6.507 6.404 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.272 7.402 3.232 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.632 8.466 2.857 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.291 7.877 5.910 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.331 8.733 4.365 1.00 0.00 H new ATOM 551 N LEU A 53 -0.953 4.152 5.070 1.00 0.00 N ATOM 552 CA LEU A 53 0.306 3.425 5.196 1.00 0.00 C ATOM 553 C LEU A 53 1.279 4.240 6.036 1.00 0.00 C ATOM 554 O LEU A 53 1.885 3.725 6.975 1.00 0.00 O ATOM 555 CB LEU A 53 0.905 3.111 3.824 1.00 0.00 C ATOM 556 CG LEU A 53 0.946 1.622 3.461 1.00 0.00 C ATOM 557 CD1 LEU A 53 1.984 0.895 4.304 1.00 0.00 C ATOM 558 CD2 LEU A 53 -0.429 0.987 3.639 1.00 0.00 C ATOM 0 H LEU A 53 -1.207 4.409 4.116 1.00 0.00 H new ATOM 0 HA LEU A 53 0.113 2.474 5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.330 3.639 3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.920 3.507 3.788 1.00 0.00 H new ATOM 0 HG LEU A 53 1.231 1.533 2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.999 -0.161 4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.967 1.330 4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.730 0.995 5.359 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.379 -0.070 3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.745 1.088 4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.148 1.488 2.991 1.00 0.00 H new ATOM 570 N HIS A 54 1.423 5.516 5.691 1.00 0.00 N ATOM 571 CA HIS A 54 2.290 6.403 6.440 1.00 0.00 C ATOM 572 C HIS A 54 1.737 6.581 7.848 1.00 0.00 C ATOM 573 O HIS A 54 2.477 6.545 8.831 1.00 0.00 O ATOM 574 CB HIS A 54 2.410 7.756 5.727 1.00 0.00 C ATOM 575 CG HIS A 54 1.393 8.780 6.141 1.00 0.00 C ATOM 576 ND1 HIS A 54 1.333 9.315 7.411 1.00 0.00 N ATOM 577 CD2 HIS A 54 0.399 9.375 5.439 1.00 0.00 C ATOM 578 CE1 HIS A 54 0.347 10.191 7.473 1.00 0.00 C ATOM 579 NE2 HIS A 54 -0.235 10.247 6.289 1.00 0.00 N ATOM 0 H HIS A 54 0.950 5.952 4.900 1.00 0.00 H new ATOM 0 HA HIS A 54 3.287 5.967 6.505 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.406 8.160 5.910 1.00 0.00 H new ATOM 0 HB3 HIS A 54 2.324 7.593 4.653 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.151 9.197 4.403 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.065 10.764 8.344 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -1.027 10.842 6.045 1.00 0.00 H new ATOM 588 N ALA A 55 0.420 6.772 7.931 1.00 0.00 N ATOM 589 CA ALA A 55 -0.243 6.940 9.215 1.00 0.00 C ATOM 590 C ALA A 55 -0.067 5.702 10.091 1.00 0.00 C ATOM 591 O ALA A 55 0.046 5.809 11.313 1.00 0.00 O ATOM 592 CB ALA A 55 -1.720 7.240 9.011 1.00 0.00 C ATOM 0 H ALA A 55 -0.203 6.813 7.124 1.00 0.00 H new ATOM 0 HA ALA A 55 0.220 7.783 9.727 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.203 7.363 9.980 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.828 8.157 8.432 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.188 6.415 8.474 1.00 0.00 H new ATOM 598 N ALA A 56 -0.044 4.526 9.465 1.00 0.00 N ATOM 599 CA ALA A 56 0.115 3.277 10.198 1.00 0.00 C ATOM 600 C ALA A 56 1.536 3.105 10.730 1.00 0.00 C ATOM 601 O ALA A 56 1.752 3.072 11.942 1.00 0.00 O ATOM 602 CB ALA A 56 -0.261 2.099 9.312 1.00 0.00 C ATOM 0 H ALA A 56 -0.133 4.415 8.455 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.555 3.312 11.057 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.138 1.171 9.870 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.299 2.198 8.996 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.385 2.083 8.434 1.00 0.00 H new ATOM 608 N GLU A 57 2.502 2.993 9.822 1.00 0.00 N ATOM 609 CA GLU A 57 3.896 2.802 10.214 1.00 0.00 C ATOM 610 C GLU A 57 4.634 4.130 10.392 1.00 0.00 C ATOM 611 O GLU A 57 5.273 4.356 11.420 1.00 0.00 O ATOM 612 CB GLU A 57 4.621 1.928 9.185 1.00 0.00 C ATOM 613 CG GLU A 57 4.896 2.631 7.868 1.00 0.00 C ATOM 614 CD GLU A 57 5.332 1.676 6.779 1.00 0.00 C ATOM 615 OE1 GLU A 57 6.450 1.129 6.879 1.00 0.00 O ATOM 616 OE2 GLU A 57 4.555 1.475 5.822 1.00 0.00 O ATOM 0 H GLU A 57 2.347 3.031 8.815 1.00 0.00 H new ATOM 0 HA GLU A 57 3.895 2.299 11.181 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.566 1.591 9.610 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.023 1.038 8.993 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.997 3.157 7.546 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.670 3.384 8.017 1.00 0.00 H new ATOM 623 N GLY A 58 4.548 5.008 9.393 1.00 0.00 N ATOM 624 CA GLY A 58 5.228 6.289 9.482 1.00 0.00 C ATOM 625 C GLY A 58 5.890 6.707 8.177 1.00 0.00 C ATOM 626 O GLY A 58 6.498 7.775 8.102 1.00 0.00 O ATOM 0 H GLY A 58 4.024 4.856 8.531 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.511 7.054 9.780 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.984 6.238 10.266 1.00 0.00 H new ATOM 630 N VAL A 59 5.775 5.871 7.147 1.00 0.00 N ATOM 631 CA VAL A 59 6.356 6.169 5.849 1.00 0.00 C ATOM 632 C VAL A 59 5.360 6.948 4.994 1.00 0.00 C ATOM 633 O VAL A 59 4.411 6.379 4.464 1.00 0.00 O ATOM 634 CB VAL A 59 6.749 4.864 5.127 1.00 0.00 C ATOM 635 CG1 VAL A 59 7.370 5.149 3.772 1.00 0.00 C ATOM 636 CG2 VAL A 59 7.705 4.054 5.988 1.00 0.00 C ATOM 0 H VAL A 59 5.282 4.979 7.191 1.00 0.00 H new ATOM 0 HA VAL A 59 7.249 6.775 6.000 1.00 0.00 H new ATOM 0 HB VAL A 59 5.841 4.283 4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.636 4.209 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.655 5.687 3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.266 5.756 3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.975 3.135 5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.604 4.639 6.182 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.222 3.806 6.933 1.00 0.00 H new ATOM 646 N GLU A 60 5.570 8.259 4.889 1.00 0.00 N ATOM 647 CA GLU A 60 4.684 9.122 4.111 1.00 0.00 C ATOM 648 C GLU A 60 5.308 9.573 2.784 1.00 0.00 C ATOM 649 O GLU A 60 4.740 9.314 1.723 1.00 0.00 O ATOM 650 CB GLU A 60 4.267 10.342 4.942 1.00 0.00 C ATOM 651 CG GLU A 60 3.097 11.116 4.352 1.00 0.00 C ATOM 652 CD GLU A 60 3.459 11.848 3.074 1.00 0.00 C ATOM 653 OE1 GLU A 60 3.963 12.987 3.164 1.00 0.00 O ATOM 654 OE2 GLU A 60 3.240 11.281 1.982 1.00 0.00 O ATOM 0 H GLU A 60 6.347 8.747 5.334 1.00 0.00 H new ATOM 0 HA GLU A 60 3.803 8.530 3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.003 10.012 5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.121 11.012 5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.277 10.427 4.150 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.736 11.835 5.087 1.00 0.00 H new ATOM 661 N PRO A 61 6.467 10.262 2.810 1.00 0.00 N ATOM 662 CA PRO A 61 7.121 10.741 1.584 1.00 0.00 C ATOM 663 C PRO A 61 7.342 9.630 0.560 1.00 0.00 C ATOM 664 O PRO A 61 6.732 8.566 0.642 1.00 0.00 O ATOM 665 CB PRO A 61 8.469 11.296 2.072 1.00 0.00 C ATOM 666 CG PRO A 61 8.625 10.796 3.469 1.00 0.00 C ATOM 667 CD PRO A 61 7.236 10.631 4.007 1.00 0.00 C ATOM 0 HA PRO A 61 6.506 11.480 1.071 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.287 10.952 1.439 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.479 12.386 2.042 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.165 9.849 3.486 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.196 11.500 4.074 1.00 0.00 H new ATOM 0 HD2 PRO A 61 7.188 9.857 4.773 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.865 11.551 4.459 1.00 0.00 H new ATOM 675 N GLY A 62 8.226 9.882 -0.402 1.00 0.00 N ATOM 676 CA GLY A 62 8.514 8.892 -1.425 1.00 0.00 C ATOM 677 C GLY A 62 8.978 7.560 -0.853 1.00 0.00 C ATOM 678 O GLY A 62 9.117 6.580 -1.586 1.00 0.00 O ATOM 0 H GLY A 62 8.748 10.754 -0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.620 8.730 -2.028 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.282 9.281 -2.093 1.00 0.00 H new ATOM 682 N SER A 63 9.214 7.520 0.457 1.00 0.00 N ATOM 683 CA SER A 63 9.659 6.303 1.122 1.00 0.00 C ATOM 684 C SER A 63 8.708 5.135 0.860 1.00 0.00 C ATOM 685 O SER A 63 9.069 3.978 1.067 1.00 0.00 O ATOM 686 CB SER A 63 9.792 6.556 2.622 1.00 0.00 C ATOM 687 OG SER A 63 10.807 7.505 2.892 1.00 0.00 O ATOM 0 H SER A 63 9.103 8.321 1.078 1.00 0.00 H new ATOM 0 HA SER A 63 10.631 6.029 0.712 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.842 6.913 3.019 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.020 5.620 3.133 1.00 0.00 H new ATOM 0 HG SER A 63 10.765 7.769 3.835 1.00 0.00 H new ATOM 693 N GLN A 64 7.492 5.436 0.411 1.00 0.00 N ATOM 694 CA GLN A 64 6.516 4.392 0.121 1.00 0.00 C ATOM 695 C GLN A 64 6.560 3.988 -1.352 1.00 0.00 C ATOM 696 O GLN A 64 5.630 4.279 -2.106 1.00 0.00 O ATOM 697 CB GLN A 64 5.102 4.861 0.460 1.00 0.00 C ATOM 698 CG GLN A 64 4.870 5.167 1.929 1.00 0.00 C ATOM 699 CD GLN A 64 3.511 5.788 2.178 1.00 0.00 C ATOM 700 OE1 GLN A 64 2.532 5.089 2.430 1.00 0.00 O ATOM 701 NE2 GLN A 64 3.447 7.111 2.103 1.00 0.00 N ATOM 0 H GLN A 64 7.162 6.386 0.242 1.00 0.00 H new ATOM 0 HA GLN A 64 6.774 3.531 0.738 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.881 5.755 -0.123 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.394 4.093 0.147 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.959 4.248 2.508 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.647 5.844 2.284 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.286 7.651 1.891 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.559 7.588 2.257 1.00 0.00 H new ATOM 710 N ARG A 65 7.631 3.320 -1.769 1.00 0.00 N ATOM 711 CA ARG A 65 7.741 2.884 -3.156 1.00 0.00 C ATOM 712 C ARG A 65 7.072 1.522 -3.326 1.00 0.00 C ATOM 713 O ARG A 65 7.687 0.480 -3.099 1.00 0.00 O ATOM 714 CB ARG A 65 9.203 2.828 -3.600 1.00 0.00 C ATOM 715 CG ARG A 65 9.381 3.041 -5.094 1.00 0.00 C ATOM 716 CD ARG A 65 10.849 3.034 -5.492 1.00 0.00 C ATOM 717 NE ARG A 65 11.575 4.167 -4.925 1.00 0.00 N ATOM 718 CZ ARG A 65 12.748 4.599 -5.382 1.00 0.00 C ATOM 719 NH1 ARG A 65 13.331 3.995 -6.411 1.00 0.00 N ATOM 720 NH2 ARG A 65 13.341 5.638 -4.811 1.00 0.00 N ATOM 0 H ARG A 65 8.424 3.072 -1.177 1.00 0.00 H new ATOM 0 HA ARG A 65 7.231 3.610 -3.789 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.770 3.587 -3.061 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.623 1.861 -3.324 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.852 2.259 -5.639 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.930 3.991 -5.383 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.310 2.104 -5.159 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.930 3.059 -6.579 1.00 0.00 H new ATOM 0 HE ARG A 65 11.159 4.656 -4.132 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.880 3.196 -6.856 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.230 4.331 -6.757 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.898 6.107 -4.021 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.240 5.968 -5.162 1.00 0.00 H new ATOM 734 N TRP A 66 5.803 1.554 -3.728 1.00 0.00 N ATOM 735 CA TRP A 66 4.999 0.343 -3.909 1.00 0.00 C ATOM 736 C TRP A 66 5.465 -0.479 -5.112 1.00 0.00 C ATOM 737 O TRP A 66 5.811 0.069 -6.158 1.00 0.00 O ATOM 738 CB TRP A 66 3.532 0.724 -4.105 1.00 0.00 C ATOM 739 CG TRP A 66 3.112 1.919 -3.311 1.00 0.00 C ATOM 740 CD1 TRP A 66 2.862 3.172 -3.791 1.00 0.00 C ATOM 741 CD2 TRP A 66 2.907 1.981 -1.898 1.00 0.00 C ATOM 742 NE1 TRP A 66 2.511 4.009 -2.762 1.00 0.00 N ATOM 743 CE2 TRP A 66 2.533 3.301 -1.590 1.00 0.00 C ATOM 744 CE3 TRP A 66 3.001 1.050 -0.863 1.00 0.00 C ATOM 745 CZ2 TRP A 66 2.258 3.709 -0.291 1.00 0.00 C ATOM 746 CZ3 TRP A 66 2.726 1.461 0.427 1.00 0.00 C ATOM 747 CH2 TRP A 66 2.360 2.780 0.701 1.00 0.00 C ATOM 0 H TRP A 66 5.302 2.418 -3.938 1.00 0.00 H new ATOM 0 HA TRP A 66 5.119 -0.267 -3.014 1.00 0.00 H new ATOM 0 HB2 TRP A 66 3.355 0.920 -5.162 1.00 0.00 H new ATOM 0 HB3 TRP A 66 2.905 -0.124 -3.829 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.930 3.462 -4.829 1.00 0.00 H new ATOM 0 HE1 TRP A 66 2.273 4.996 -2.855 1.00 0.00 H new ATOM 0 HE3 TRP A 66 3.283 0.028 -1.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 1.973 4.728 -0.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 2.795 0.750 1.237 1.00 0.00 H new ATOM 0 HH2 TRP A 66 2.153 3.070 1.720 1.00 0.00 H new ATOM 758 N PHE A 67 5.418 -1.801 -4.964 1.00 0.00 N ATOM 759 CA PHE A 67 5.837 -2.722 -6.020 1.00 0.00 C ATOM 760 C PHE A 67 5.108 -4.058 -5.901 1.00 0.00 C ATOM 761 O PHE A 67 5.190 -4.729 -4.874 1.00 0.00 O ATOM 762 CB PHE A 67 7.347 -2.973 -5.961 1.00 0.00 C ATOM 763 CG PHE A 67 8.187 -1.780 -6.309 1.00 0.00 C ATOM 764 CD1 PHE A 67 8.215 -1.289 -7.605 1.00 0.00 C ATOM 765 CD2 PHE A 67 8.960 -1.157 -5.344 1.00 0.00 C ATOM 766 CE1 PHE A 67 8.997 -0.198 -7.930 1.00 0.00 C ATOM 767 CE2 PHE A 67 9.745 -0.067 -5.663 1.00 0.00 C ATOM 768 CZ PHE A 67 9.764 0.413 -6.958 1.00 0.00 C ATOM 0 H PHE A 67 5.091 -2.262 -4.115 1.00 0.00 H new ATOM 0 HA PHE A 67 5.585 -2.257 -6.973 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.609 -3.306 -4.957 1.00 0.00 H new ATOM 0 HB3 PHE A 67 7.595 -3.788 -6.642 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.619 -1.765 -8.369 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.949 -1.528 -4.330 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.009 0.177 -8.943 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.344 0.410 -4.901 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.378 1.265 -7.210 1.00 0.00 H new ATOM 778 N PHE A 68 4.402 -4.442 -6.959 1.00 0.00 N ATOM 779 CA PHE A 68 3.667 -5.701 -6.975 1.00 0.00 C ATOM 780 C PHE A 68 4.187 -6.617 -8.079 1.00 0.00 C ATOM 781 O PHE A 68 3.981 -6.357 -9.264 1.00 0.00 O ATOM 782 CB PHE A 68 2.174 -5.441 -7.180 1.00 0.00 C ATOM 783 CG PHE A 68 1.340 -6.691 -7.186 1.00 0.00 C ATOM 784 CD1 PHE A 68 1.174 -7.422 -8.351 1.00 0.00 C ATOM 785 CD2 PHE A 68 0.724 -7.135 -6.027 1.00 0.00 C ATOM 786 CE1 PHE A 68 0.408 -8.573 -8.360 1.00 0.00 C ATOM 787 CE2 PHE A 68 -0.043 -8.284 -6.030 1.00 0.00 C ATOM 788 CZ PHE A 68 -0.201 -9.004 -7.197 1.00 0.00 C ATOM 0 H PHE A 68 4.323 -3.898 -7.818 1.00 0.00 H new ATOM 0 HA PHE A 68 3.816 -6.193 -6.014 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.817 -4.780 -6.390 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.032 -4.915 -8.124 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.648 -7.089 -9.262 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.845 -6.576 -5.111 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.286 -9.134 -9.275 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.519 -8.619 -5.120 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.800 -9.903 -7.201 1.00 0.00 H new ATOM 798 N SER A 69 4.866 -7.688 -7.680 1.00 0.00 N ATOM 799 CA SER A 69 5.417 -8.647 -8.634 1.00 0.00 C ATOM 800 C SER A 69 6.480 -8.006 -9.527 1.00 0.00 C ATOM 801 O SER A 69 6.860 -8.573 -10.552 1.00 0.00 O ATOM 802 CB SER A 69 4.300 -9.239 -9.497 1.00 0.00 C ATOM 803 OG SER A 69 3.338 -9.908 -8.699 1.00 0.00 O ATOM 0 H SER A 69 5.048 -7.915 -6.702 1.00 0.00 H new ATOM 0 HA SER A 69 5.893 -9.444 -8.062 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.816 -8.445 -10.066 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.725 -9.935 -10.220 1.00 0.00 H new ATOM 0 HG SER A 69 2.547 -9.339 -8.595 1.00 0.00 H new ATOM 809 N GLY A 70 6.956 -6.825 -9.139 1.00 0.00 N ATOM 810 CA GLY A 70 7.972 -6.145 -9.923 1.00 0.00 C ATOM 811 C GLY A 70 7.439 -4.933 -10.665 1.00 0.00 C ATOM 812 O GLY A 70 8.133 -4.360 -11.506 1.00 0.00 O ATOM 0 H GLY A 70 6.657 -6.329 -8.299 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.782 -5.833 -9.264 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.397 -6.846 -10.642 1.00 0.00 H new ATOM 816 N ARG A 71 6.206 -4.539 -10.361 1.00 0.00 N ATOM 817 CA ARG A 71 5.591 -3.385 -11.008 1.00 0.00 C ATOM 818 C ARG A 71 5.249 -2.309 -9.978 1.00 0.00 C ATOM 819 O ARG A 71 4.661 -2.609 -8.945 1.00 0.00 O ATOM 820 CB ARG A 71 4.322 -3.811 -11.751 1.00 0.00 C ATOM 821 CG ARG A 71 4.560 -4.884 -12.801 1.00 0.00 C ATOM 822 CD ARG A 71 5.369 -4.350 -13.972 1.00 0.00 C ATOM 823 NE ARG A 71 4.669 -3.280 -14.679 1.00 0.00 N ATOM 824 CZ ARG A 71 4.983 -2.873 -15.907 1.00 0.00 C ATOM 825 NH1 ARG A 71 5.981 -3.446 -16.568 1.00 0.00 N ATOM 826 NH2 ARG A 71 4.296 -1.892 -16.476 1.00 0.00 N ATOM 0 H ARG A 71 5.614 -5.001 -9.671 1.00 0.00 H new ATOM 0 HA ARG A 71 6.304 -2.973 -11.722 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.594 -4.178 -11.028 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.882 -2.937 -12.231 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.084 -5.726 -12.349 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.603 -5.261 -13.161 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.328 -3.979 -13.611 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.583 -5.163 -14.666 1.00 0.00 H new ATOM 0 HE ARG A 71 3.894 -2.818 -14.204 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.512 -4.202 -16.135 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.217 -3.130 -17.509 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.527 -1.449 -15.973 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.536 -1.580 -17.417 1.00 0.00 H new ATOM 840 N PRO A 72 5.606 -1.038 -10.241 1.00 0.00 N ATOM 841 CA PRO A 72 5.321 0.062 -9.315 1.00 0.00 C ATOM 842 C PRO A 72 3.829 0.371 -9.250 1.00 0.00 C ATOM 843 O PRO A 72 3.204 0.646 -10.275 1.00 0.00 O ATOM 844 CB PRO A 72 6.085 1.258 -9.907 1.00 0.00 C ATOM 845 CG PRO A 72 6.970 0.693 -10.970 1.00 0.00 C ATOM 846 CD PRO A 72 6.312 -0.571 -11.441 1.00 0.00 C ATOM 0 HA PRO A 72 5.622 -0.179 -8.295 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.397 1.994 -10.322 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.670 1.766 -9.140 1.00 0.00 H new ATOM 0 HG2 PRO A 72 7.089 1.399 -11.792 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.967 0.489 -10.578 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.626 -0.386 -12.267 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.042 -1.301 -11.790 1.00 0.00 H new ATOM 854 N LEU A 73 3.254 0.328 -8.048 1.00 0.00 N ATOM 855 CA LEU A 73 1.824 0.603 -7.898 1.00 0.00 C ATOM 856 C LEU A 73 1.539 2.103 -7.913 1.00 0.00 C ATOM 857 O LEU A 73 2.249 2.890 -7.288 1.00 0.00 O ATOM 858 CB LEU A 73 1.268 -0.016 -6.612 1.00 0.00 C ATOM 859 CG LEU A 73 1.306 -1.545 -6.545 1.00 0.00 C ATOM 860 CD1 LEU A 73 0.447 -2.160 -7.641 1.00 0.00 C ATOM 861 CD2 LEU A 73 2.732 -2.052 -6.632 1.00 0.00 C ATOM 0 H LEU A 73 3.744 0.110 -7.180 1.00 0.00 H new ATOM 0 HA LEU A 73 1.323 0.145 -8.751 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.829 0.381 -5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.235 0.310 -6.490 1.00 0.00 H new ATOM 0 HG LEU A 73 0.894 -1.850 -5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.491 -3.247 -7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.585 -1.831 -7.522 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.819 -1.844 -8.615 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.735 -3.141 -6.582 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.176 -1.731 -7.574 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.313 -1.650 -5.802 1.00 0.00 H new ATOM 872 N THR A 74 0.489 2.485 -8.639 1.00 0.00 N ATOM 873 CA THR A 74 0.088 3.882 -8.752 1.00 0.00 C ATOM 874 C THR A 74 -0.910 4.266 -7.662 1.00 0.00 C ATOM 875 O THR A 74 -1.130 3.518 -6.715 1.00 0.00 O ATOM 876 CB THR A 74 -0.523 4.180 -10.138 1.00 0.00 C ATOM 877 OG1 THR A 74 -0.777 5.584 -10.271 1.00 0.00 O ATOM 878 CG2 THR A 74 -1.817 3.408 -10.349 1.00 0.00 C ATOM 0 H THR A 74 -0.102 1.838 -9.161 1.00 0.00 H new ATOM 0 HA THR A 74 0.990 4.481 -8.628 1.00 0.00 H new ATOM 0 HB THR A 74 0.195 3.863 -10.895 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.163 5.764 -11.154 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.222 3.640 -11.334 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.618 2.339 -10.281 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.539 3.692 -9.584 1.00 0.00 H new ATOM 886 N ASP A 75 -1.506 5.442 -7.812 1.00 0.00 N ATOM 887 CA ASP A 75 -2.475 5.970 -6.859 1.00 0.00 C ATOM 888 C ASP A 75 -3.896 5.555 -7.227 1.00 0.00 C ATOM 889 O ASP A 75 -4.854 6.276 -6.948 1.00 0.00 O ATOM 890 CB ASP A 75 -2.375 7.495 -6.828 1.00 0.00 C ATOM 891 CG ASP A 75 -1.076 7.976 -6.212 1.00 0.00 C ATOM 892 OD1 ASP A 75 -0.857 7.716 -5.010 1.00 0.00 O ATOM 893 OD2 ASP A 75 -0.276 8.609 -6.932 1.00 0.00 O ATOM 0 H ASP A 75 -1.330 6.061 -8.604 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.248 5.561 -5.875 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.458 7.883 -7.843 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.214 7.900 -6.263 1.00 0.00 H new ATOM 898 N LYS A 76 -4.024 4.387 -7.842 1.00 0.00 N ATOM 899 CA LYS A 76 -5.319 3.881 -8.272 1.00 0.00 C ATOM 900 C LYS A 76 -5.250 2.378 -8.506 1.00 0.00 C ATOM 901 O LYS A 76 -5.914 1.845 -9.393 1.00 0.00 O ATOM 902 CB LYS A 76 -5.734 4.579 -9.568 1.00 0.00 C ATOM 903 CG LYS A 76 -6.166 6.026 -9.381 1.00 0.00 C ATOM 904 CD LYS A 76 -7.305 6.147 -8.381 1.00 0.00 C ATOM 905 CE LYS A 76 -7.770 7.588 -8.241 1.00 0.00 C ATOM 906 NZ LYS A 76 -8.274 8.136 -9.531 1.00 0.00 N ATOM 0 H LYS A 76 -3.241 3.769 -8.055 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.053 4.083 -7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.900 4.547 -10.269 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.553 4.022 -10.022 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.317 6.618 -9.039 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.478 6.440 -10.340 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.140 5.523 -8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.980 5.772 -7.410 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.558 7.644 -7.490 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -6.944 8.203 -7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.823 9.001 -9.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.470 8.360 -10.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.882 7.431 -9.994 1.00 0.00 H new ATOM 920 N MET A 77 -4.438 1.702 -7.704 1.00 0.00 N ATOM 921 CA MET A 77 -4.254 0.262 -7.849 1.00 0.00 C ATOM 922 C MET A 77 -5.289 -0.579 -7.101 1.00 0.00 C ATOM 923 O MET A 77 -5.648 -1.659 -7.570 1.00 0.00 O ATOM 924 CB MET A 77 -2.851 -0.136 -7.394 1.00 0.00 C ATOM 925 CG MET A 77 -1.758 0.316 -8.346 1.00 0.00 C ATOM 926 SD MET A 77 -2.058 -0.229 -10.046 1.00 0.00 S ATOM 927 CE MET A 77 -0.499 0.157 -10.841 1.00 0.00 C ATOM 0 H MET A 77 -3.898 2.124 -6.949 1.00 0.00 H new ATOM 0 HA MET A 77 -4.392 0.051 -8.909 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.663 0.289 -6.408 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.805 -1.220 -7.288 1.00 0.00 H new ATOM 0 HG2 MET A 77 -1.686 1.403 -8.323 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.799 -0.074 -8.006 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.664 0.319 -11.906 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.078 1.059 -10.398 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.195 -0.672 -10.703 1.00 0.00 H new ATOM 937 N LYS A 78 -5.815 -0.093 -5.980 1.00 0.00 N ATOM 938 CA LYS A 78 -6.769 -0.903 -5.225 1.00 0.00 C ATOM 939 C LYS A 78 -7.960 -1.271 -6.097 1.00 0.00 C ATOM 940 O LYS A 78 -8.119 -2.430 -6.485 1.00 0.00 O ATOM 941 CB LYS A 78 -7.240 -0.194 -3.961 1.00 0.00 C ATOM 942 CG LYS A 78 -8.166 -1.036 -3.100 1.00 0.00 C ATOM 943 CD LYS A 78 -9.614 -0.931 -3.546 1.00 0.00 C ATOM 944 CE LYS A 78 -10.153 -2.266 -4.040 1.00 0.00 C ATOM 945 NZ LYS A 78 -11.536 -2.143 -4.583 1.00 0.00 N ATOM 0 H LYS A 78 -5.608 0.824 -5.584 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.254 -1.814 -4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.370 0.094 -3.370 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.754 0.726 -4.240 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.850 -2.078 -3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.083 -0.718 -2.061 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.225 -0.577 -2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.696 -0.190 -4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.493 -2.660 -4.813 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.148 -2.985 -3.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.746 -2.963 -5.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.216 -2.110 -3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.612 -1.271 -5.144 1.00 0.00 H new ATOM 959 N PHE A 79 -8.791 -0.290 -6.413 1.00 0.00 N ATOM 960 CA PHE A 79 -9.946 -0.526 -7.265 1.00 0.00 C ATOM 961 C PHE A 79 -9.541 -1.050 -8.647 1.00 0.00 C ATOM 962 O PHE A 79 -10.399 -1.461 -9.426 1.00 0.00 O ATOM 963 CB PHE A 79 -10.752 0.762 -7.441 1.00 0.00 C ATOM 964 CG PHE A 79 -12.010 0.579 -8.242 1.00 0.00 C ATOM 965 CD1 PHE A 79 -13.124 -0.024 -7.680 1.00 0.00 C ATOM 966 CD2 PHE A 79 -12.077 1.011 -9.557 1.00 0.00 C ATOM 967 CE1 PHE A 79 -14.282 -0.193 -8.415 1.00 0.00 C ATOM 968 CE2 PHE A 79 -13.232 0.844 -10.297 1.00 0.00 C ATOM 969 CZ PHE A 79 -14.336 0.242 -9.725 1.00 0.00 C ATOM 0 H PHE A 79 -8.688 0.673 -6.094 1.00 0.00 H new ATOM 0 HA PHE A 79 -10.554 -1.284 -6.772 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.011 1.156 -6.458 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -10.126 1.509 -7.929 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.087 -0.366 -6.656 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -11.217 1.483 -10.008 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -15.144 -0.665 -7.966 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -13.272 1.184 -11.321 1.00 0.00 H new ATOM 0 HZ PHE A 79 -15.240 0.112 -10.301 1.00 0.00 H new ATOM 979 N GLU A 80 -8.242 -1.026 -8.964 1.00 0.00 N ATOM 980 CA GLU A 80 -7.777 -1.493 -10.269 1.00 0.00 C ATOM 981 C GLU A 80 -7.439 -2.980 -10.249 1.00 0.00 C ATOM 982 O GLU A 80 -7.471 -3.645 -11.284 1.00 0.00 O ATOM 983 CB GLU A 80 -6.556 -0.689 -10.721 1.00 0.00 C ATOM 984 CG GLU A 80 -6.030 -1.101 -12.087 1.00 0.00 C ATOM 985 CD GLU A 80 -4.834 -0.281 -12.527 1.00 0.00 C ATOM 986 OE1 GLU A 80 -5.037 0.854 -13.008 1.00 0.00 O ATOM 987 OE2 GLU A 80 -3.694 -0.773 -12.393 1.00 0.00 O ATOM 0 H GLU A 80 -7.505 -0.693 -8.343 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.591 -1.342 -10.978 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.816 0.369 -10.745 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.761 -0.805 -9.984 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.753 -2.155 -12.062 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.826 -0.998 -12.824 1.00 0.00 H new ATOM 994 N GLU A 81 -7.114 -3.499 -9.071 1.00 0.00 N ATOM 995 CA GLU A 81 -6.763 -4.900 -8.929 1.00 0.00 C ATOM 996 C GLU A 81 -8.009 -5.693 -8.595 1.00 0.00 C ATOM 997 O GLU A 81 -8.406 -6.601 -9.323 1.00 0.00 O ATOM 998 CB GLU A 81 -5.705 -5.083 -7.838 1.00 0.00 C ATOM 999 CG GLU A 81 -5.064 -6.461 -7.836 1.00 0.00 C ATOM 1000 CD GLU A 81 -4.338 -6.767 -9.131 1.00 0.00 C ATOM 1001 OE1 GLU A 81 -4.977 -7.313 -10.055 1.00 0.00 O ATOM 1002 OE2 GLU A 81 -3.130 -6.460 -9.223 1.00 0.00 O ATOM 0 H GLU A 81 -7.087 -2.967 -8.201 1.00 0.00 H new ATOM 0 HA GLU A 81 -6.343 -5.262 -9.868 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.928 -4.330 -7.968 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.163 -4.903 -6.865 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.362 -6.530 -7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.833 -7.215 -7.668 1.00 0.00 H new ATOM 1009 N LEU A 82 -8.622 -5.320 -7.474 1.00 0.00 N ATOM 1010 CA LEU A 82 -9.840 -5.952 -6.999 1.00 0.00 C ATOM 1011 C LEU A 82 -9.578 -7.364 -6.482 1.00 0.00 C ATOM 1012 O LEU A 82 -10.471 -7.997 -5.920 1.00 0.00 O ATOM 1013 CB LEU A 82 -10.898 -5.990 -8.103 1.00 0.00 C ATOM 1014 CG LEU A 82 -11.293 -4.639 -8.705 1.00 0.00 C ATOM 1015 CD1 LEU A 82 -11.526 -3.607 -7.611 1.00 0.00 C ATOM 1016 CD2 LEU A 82 -10.235 -4.159 -9.679 1.00 0.00 C ATOM 0 H LEU A 82 -8.284 -4.569 -6.872 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.212 -5.351 -6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.533 -6.630 -8.906 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -11.795 -6.462 -7.702 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.227 -4.770 -9.251 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.806 -2.655 -8.062 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.327 -3.947 -6.955 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.612 -3.479 -7.031 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.534 -3.197 -10.096 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.284 -4.049 -9.158 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.125 -4.885 -10.484 1.00 0.00 H new ATOM 1028 N LYS A 83 -8.354 -7.854 -6.665 1.00 0.00 N ATOM 1029 CA LYS A 83 -7.997 -9.191 -6.216 1.00 0.00 C ATOM 1030 C LYS A 83 -7.169 -9.120 -4.939 1.00 0.00 C ATOM 1031 O LYS A 83 -6.180 -9.835 -4.789 1.00 0.00 O ATOM 1032 CB LYS A 83 -7.205 -9.927 -7.302 1.00 0.00 C ATOM 1033 CG LYS A 83 -7.731 -9.726 -8.715 1.00 0.00 C ATOM 1034 CD LYS A 83 -8.980 -10.551 -8.977 1.00 0.00 C ATOM 1035 CE LYS A 83 -10.224 -9.836 -8.490 1.00 0.00 C ATOM 1036 NZ LYS A 83 -11.420 -10.725 -8.506 1.00 0.00 N ATOM 0 H LYS A 83 -7.597 -7.344 -7.120 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.917 -9.739 -6.014 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.167 -9.596 -7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.208 -10.993 -7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.953 -8.671 -8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.958 -10.000 -9.433 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.068 -10.752 -10.045 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.893 -11.516 -8.477 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.058 -9.469 -7.477 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.411 -8.965 -9.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.249 -10.198 -8.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.594 -11.055 -9.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.252 -11.544 -7.887 1.00 0.00 H new ATOM 1050 N ILE A 84 -7.582 -8.258 -4.016 1.00 0.00 N ATOM 1051 CA ILE A 84 -6.870 -8.092 -2.756 1.00 0.00 C ATOM 1052 C ILE A 84 -7.728 -8.486 -1.550 1.00 0.00 C ATOM 1053 O ILE A 84 -7.783 -7.757 -0.559 1.00 0.00 O ATOM 1054 CB ILE A 84 -6.397 -6.635 -2.581 1.00 0.00 C ATOM 1055 CG1 ILE A 84 -7.599 -5.688 -2.552 1.00 0.00 C ATOM 1056 CG2 ILE A 84 -5.443 -6.250 -3.704 1.00 0.00 C ATOM 1057 CD1 ILE A 84 -7.281 -4.319 -1.995 1.00 0.00 C ATOM 0 H ILE A 84 -8.405 -7.664 -4.117 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.008 -8.758 -2.798 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.866 -6.551 -1.633 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.988 -5.577 -3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.391 -6.139 -1.954 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.117 -5.219 -3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.576 -6.910 -3.687 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.952 -6.346 -4.663 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.181 -3.704 -2.006 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.921 -4.417 -0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.511 -3.847 -2.606 1.00 0.00 H new ATOM 1069 N PRO A 85 -8.410 -9.646 -1.609 1.00 0.00 N ATOM 1070 CA PRO A 85 -9.245 -10.117 -0.502 1.00 0.00 C ATOM 1071 C PRO A 85 -8.401 -10.646 0.651 1.00 0.00 C ATOM 1072 O PRO A 85 -8.493 -11.818 1.017 1.00 0.00 O ATOM 1073 CB PRO A 85 -10.061 -11.244 -1.134 1.00 0.00 C ATOM 1074 CG PRO A 85 -9.188 -11.770 -2.218 1.00 0.00 C ATOM 1075 CD PRO A 85 -8.425 -10.586 -2.747 1.00 0.00 C ATOM 0 HA PRO A 85 -9.858 -9.324 -0.073 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.300 -12.019 -0.405 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -11.008 -10.876 -1.530 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.509 -12.533 -1.837 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -9.781 -12.236 -3.005 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -7.416 -10.863 -3.051 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.913 -10.152 -3.619 1.00 0.00 H new ATOM 1083 N LYS A 86 -7.574 -9.771 1.220 1.00 0.00 N ATOM 1084 CA LYS A 86 -6.698 -10.147 2.324 1.00 0.00 C ATOM 1085 C LYS A 86 -5.632 -11.138 1.860 1.00 0.00 C ATOM 1086 O LYS A 86 -4.997 -11.807 2.677 1.00 0.00 O ATOM 1087 CB LYS A 86 -7.512 -10.748 3.473 1.00 0.00 C ATOM 1088 CG LYS A 86 -8.627 -9.841 3.968 1.00 0.00 C ATOM 1089 CD LYS A 86 -9.455 -10.511 5.053 1.00 0.00 C ATOM 1090 CE LYS A 86 -10.179 -11.739 4.526 1.00 0.00 C ATOM 1091 NZ LYS A 86 -11.089 -11.406 3.395 1.00 0.00 N ATOM 0 H LYS A 86 -7.493 -8.796 0.933 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.198 -9.246 2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.943 -11.694 3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.842 -10.973 4.303 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.199 -8.916 4.355 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.273 -9.569 3.133 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.807 -10.797 5.881 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.182 -9.801 5.448 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.448 -12.478 4.198 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.754 -12.195 5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.003 -11.883 3.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.237 -10.377 3.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.663 -11.725 2.501 1.00 0.00 H new ATOM 1105 N ASP A 87 -5.437 -11.230 0.545 1.00 0.00 N ATOM 1106 CA ASP A 87 -4.448 -12.142 -0.022 1.00 0.00 C ATOM 1107 C ASP A 87 -3.314 -11.379 -0.702 1.00 0.00 C ATOM 1108 O ASP A 87 -2.175 -11.398 -0.236 1.00 0.00 O ATOM 1109 CB ASP A 87 -5.114 -13.092 -1.019 1.00 0.00 C ATOM 1110 CG ASP A 87 -6.138 -13.995 -0.361 1.00 0.00 C ATOM 1111 OD1 ASP A 87 -7.316 -13.589 -0.271 1.00 0.00 O ATOM 1112 OD2 ASP A 87 -5.762 -15.106 0.066 1.00 0.00 O ATOM 0 H ASP A 87 -5.951 -10.684 -0.146 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.021 -12.723 0.796 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.598 -12.510 -1.804 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.350 -13.703 -1.500 1.00 0.00 H new ATOM 1117 N TYR A 88 -3.631 -10.706 -1.808 1.00 0.00 N ATOM 1118 CA TYR A 88 -2.634 -9.944 -2.555 1.00 0.00 C ATOM 1119 C TYR A 88 -1.882 -8.974 -1.651 1.00 0.00 C ATOM 1120 O TYR A 88 -2.419 -8.480 -0.656 1.00 0.00 O ATOM 1121 CB TYR A 88 -3.289 -9.186 -3.708 1.00 0.00 C ATOM 1122 CG TYR A 88 -3.488 -10.030 -4.947 1.00 0.00 C ATOM 1123 CD1 TYR A 88 -3.928 -11.345 -4.851 1.00 0.00 C ATOM 1124 CD2 TYR A 88 -3.233 -9.514 -6.211 1.00 0.00 C ATOM 1125 CE1 TYR A 88 -4.108 -12.120 -5.980 1.00 0.00 C ATOM 1126 CE2 TYR A 88 -3.410 -10.284 -7.344 1.00 0.00 C ATOM 1127 CZ TYR A 88 -3.848 -11.586 -7.223 1.00 0.00 C ATOM 1128 OH TYR A 88 -4.026 -12.356 -8.350 1.00 0.00 O ATOM 0 H TYR A 88 -4.570 -10.674 -2.205 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.915 -10.655 -2.962 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.255 -8.804 -3.379 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.674 -8.322 -3.961 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.132 -11.767 -3.878 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.891 -8.494 -6.310 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.451 -13.140 -5.889 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.206 -9.868 -8.320 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.800 -11.829 -9.145 1.00 0.00 H new ATOM 1138 N VAL A 89 -0.636 -8.700 -2.016 1.00 0.00 N ATOM 1139 CA VAL A 89 0.205 -7.807 -1.236 1.00 0.00 C ATOM 1140 C VAL A 89 1.095 -6.944 -2.127 1.00 0.00 C ATOM 1141 O VAL A 89 1.704 -7.439 -3.075 1.00 0.00 O ATOM 1142 CB VAL A 89 1.099 -8.609 -0.271 1.00 0.00 C ATOM 1143 CG1 VAL A 89 2.030 -9.532 -1.043 1.00 0.00 C ATOM 1144 CG2 VAL A 89 1.890 -7.677 0.635 1.00 0.00 C ATOM 0 H VAL A 89 -0.187 -9.084 -2.847 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.463 -7.156 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 89 0.455 -9.224 0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.653 -10.089 -0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.440 -10.229 -1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.665 -8.940 -1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.514 -8.266 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.522 -7.029 0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.201 -7.067 1.220 1.00 0.00 H new ATOM 1154 N VAL A 90 1.168 -5.651 -1.816 1.00 0.00 N ATOM 1155 CA VAL A 90 2.009 -4.737 -2.577 1.00 0.00 C ATOM 1156 C VAL A 90 3.339 -4.538 -1.869 1.00 0.00 C ATOM 1157 O VAL A 90 3.403 -3.947 -0.790 1.00 0.00 O ATOM 1158 CB VAL A 90 1.330 -3.366 -2.815 1.00 0.00 C ATOM 1159 CG1 VAL A 90 2.259 -2.445 -3.592 1.00 0.00 C ATOM 1160 CG2 VAL A 90 0.019 -3.548 -3.563 1.00 0.00 C ATOM 0 H VAL A 90 0.657 -5.217 -1.047 1.00 0.00 H new ATOM 0 HA VAL A 90 2.174 -5.192 -3.554 1.00 0.00 H new ATOM 0 HB VAL A 90 1.117 -2.910 -1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.769 -1.485 -3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.178 -2.293 -3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.497 -2.896 -4.555 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.447 -2.576 -3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.212 -4.021 -4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.650 -4.179 -2.977 1.00 0.00 H new ATOM 1170 N GLN A 91 4.402 -5.046 -2.481 1.00 0.00 N ATOM 1171 CA GLN A 91 5.728 -4.934 -1.903 1.00 0.00 C ATOM 1172 C GLN A 91 6.252 -3.513 -2.028 1.00 0.00 C ATOM 1173 O GLN A 91 6.554 -3.044 -3.122 1.00 0.00 O ATOM 1174 CB GLN A 91 6.693 -5.918 -2.567 1.00 0.00 C ATOM 1175 CG GLN A 91 8.028 -6.033 -1.851 1.00 0.00 C ATOM 1176 CD GLN A 91 9.085 -5.106 -2.419 1.00 0.00 C ATOM 1177 OE1 GLN A 91 8.777 -4.036 -2.942 1.00 0.00 O ATOM 1178 NE2 GLN A 91 10.345 -5.515 -2.320 1.00 0.00 N ATOM 0 H GLN A 91 4.368 -5.537 -3.374 1.00 0.00 H new ATOM 0 HA GLN A 91 5.657 -5.182 -0.844 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.225 -6.902 -2.608 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.867 -5.605 -3.596 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.887 -5.810 -0.793 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.382 -7.062 -1.916 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.558 -6.410 -1.879 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.100 -4.934 -2.685 1.00 0.00 H new ATOM 1187 N VAL A 92 6.354 -2.833 -0.897 1.00 0.00 N ATOM 1188 CA VAL A 92 6.834 -1.464 -0.870 1.00 0.00 C ATOM 1189 C VAL A 92 8.238 -1.389 -0.274 1.00 0.00 C ATOM 1190 O VAL A 92 8.685 -2.323 0.393 1.00 0.00 O ATOM 1191 CB VAL A 92 5.866 -0.574 -0.066 1.00 0.00 C ATOM 1192 CG1 VAL A 92 5.574 -1.171 1.281 1.00 0.00 C ATOM 1193 CG2 VAL A 92 6.392 0.844 0.060 1.00 0.00 C ATOM 0 H VAL A 92 6.109 -3.211 0.018 1.00 0.00 H new ATOM 0 HA VAL A 92 6.879 -1.100 -1.896 1.00 0.00 H new ATOM 0 HB VAL A 92 4.927 -0.525 -0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.889 -0.522 1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.119 -2.153 1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.502 -1.272 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.685 1.445 0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.355 0.831 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.514 1.276 -0.933 1.00 0.00 H new ATOM 1203 N ILE A 93 8.937 -0.283 -0.522 1.00 0.00 N ATOM 1204 CA ILE A 93 10.284 -0.112 -0.011 1.00 0.00 C ATOM 1205 C ILE A 93 10.544 1.326 0.435 1.00 0.00 C ATOM 1206 O ILE A 93 10.258 2.282 -0.288 1.00 0.00 O ATOM 1207 CB ILE A 93 11.342 -0.526 -1.054 1.00 0.00 C ATOM 1208 CG1 ILE A 93 11.260 0.363 -2.293 1.00 0.00 C ATOM 1209 CG2 ILE A 93 11.157 -1.987 -1.438 1.00 0.00 C ATOM 1210 CD1 ILE A 93 12.370 0.107 -3.286 1.00 0.00 C ATOM 0 H ILE A 93 8.589 0.502 -1.072 1.00 0.00 H new ATOM 0 HA ILE A 93 10.369 -0.766 0.857 1.00 0.00 H new ATOM 0 HB ILE A 93 12.329 -0.401 -0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.299 0.204 -2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.291 1.408 -1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 93 11.910 -2.268 -2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.266 -2.613 -0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.163 -2.129 -1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.253 0.771 -4.142 1.00 0.00 H new ATOM 0 HD12 ILE A 93 13.333 0.294 -2.811 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.326 -0.929 -3.622 1.00 0.00 H new ATOM 1222 N VAL A 94 11.067 1.453 1.649 1.00 0.00 N ATOM 1223 CA VAL A 94 11.404 2.750 2.233 1.00 0.00 C ATOM 1224 C VAL A 94 12.904 2.833 2.497 1.00 0.00 C ATOM 1225 O VAL A 94 13.387 2.400 3.543 1.00 0.00 O ATOM 1226 CB VAL A 94 10.631 3.015 3.555 1.00 0.00 C ATOM 1227 CG1 VAL A 94 10.512 1.738 4.375 1.00 0.00 C ATOM 1228 CG2 VAL A 94 11.315 4.100 4.379 1.00 0.00 C ATOM 0 H VAL A 94 11.270 0.661 2.258 1.00 0.00 H new ATOM 0 HA VAL A 94 11.109 3.514 1.513 1.00 0.00 H new ATOM 0 HB VAL A 94 9.631 3.358 3.292 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.968 1.946 5.296 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.975 0.984 3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.508 1.368 4.618 1.00 0.00 H new ATOM 0 HG21 VAL A 94 10.754 4.266 5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 94 12.329 3.785 4.624 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.351 5.025 3.804 1.00 0.00 H new ATOM 1238 N SER A 95 13.634 3.393 1.540 1.00 0.00 N ATOM 1239 CA SER A 95 15.080 3.531 1.662 1.00 0.00 C ATOM 1240 C SER A 95 15.458 4.903 2.214 1.00 0.00 C ATOM 1241 O SER A 95 16.450 5.498 1.795 1.00 0.00 O ATOM 1242 CB SER A 95 15.743 3.313 0.303 1.00 0.00 C ATOM 1243 OG SER A 95 17.156 3.292 0.421 1.00 0.00 O ATOM 0 H SER A 95 13.248 3.759 0.670 1.00 0.00 H new ATOM 0 HA SER A 95 15.435 2.774 2.362 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.397 2.373 -0.127 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.444 4.106 -0.382 1.00 0.00 H new ATOM 0 HG SER A 95 17.450 4.053 0.963 1.00 0.00 H new ATOM 1249 N GLN A 96 14.661 5.401 3.155 1.00 0.00 N ATOM 1250 CA GLN A 96 14.916 6.701 3.762 1.00 0.00 C ATOM 1251 C GLN A 96 14.744 6.637 5.278 1.00 0.00 C ATOM 1252 O GLN A 96 13.751 7.123 5.819 1.00 0.00 O ATOM 1253 CB GLN A 96 13.977 7.754 3.173 1.00 0.00 C ATOM 1254 CG GLN A 96 14.040 7.842 1.658 1.00 0.00 C ATOM 1255 CD GLN A 96 13.223 8.996 1.107 1.00 0.00 C ATOM 1256 OE1 GLN A 96 13.728 10.107 0.947 1.00 0.00 O ATOM 1257 NE2 GLN A 96 11.954 8.735 0.816 1.00 0.00 N ATOM 0 H GLN A 96 13.834 4.923 3.513 1.00 0.00 H new ATOM 0 HA GLN A 96 15.946 6.981 3.544 1.00 0.00 H new ATOM 0 HB2 GLN A 96 12.954 7.526 3.474 1.00 0.00 H new ATOM 0 HB3 GLN A 96 14.224 8.728 3.596 1.00 0.00 H new ATOM 0 HG2 GLN A 96 15.079 7.956 1.347 1.00 0.00 H new ATOM 0 HG3 GLN A 96 13.679 6.908 1.228 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.579 7.798 0.965 1.00 0.00 H new ATOM 0 HE22 GLN A 96 11.354 9.471 0.443 1.00 0.00 H new ATOM 1266 N PRO A 97 15.715 6.032 5.984 1.00 0.00 N ATOM 1267 CA PRO A 97 15.668 5.904 7.443 1.00 0.00 C ATOM 1268 C PRO A 97 15.890 7.238 8.148 1.00 0.00 C ATOM 1269 O PRO A 97 15.252 7.530 9.161 1.00 0.00 O ATOM 1270 CB PRO A 97 16.815 4.941 7.752 1.00 0.00 C ATOM 1271 CG PRO A 97 17.771 5.118 6.624 1.00 0.00 C ATOM 1272 CD PRO A 97 16.932 5.424 5.413 1.00 0.00 C ATOM 0 HA PRO A 97 14.695 5.556 7.790 1.00 0.00 H new ATOM 0 HB2 PRO A 97 17.283 5.176 8.708 1.00 0.00 H new ATOM 0 HB3 PRO A 97 16.462 3.912 7.814 1.00 0.00 H new ATOM 0 HG2 PRO A 97 18.470 5.929 6.829 1.00 0.00 H new ATOM 0 HG3 PRO A 97 18.364 4.216 6.470 1.00 0.00 H new ATOM 0 HD2 PRO A 97 17.442 6.107 4.734 1.00 0.00 H new ATOM 0 HD3 PRO A 97 16.702 4.522 4.845 1.00 0.00 H new ATOM 1280 N VAL A 98 16.797 8.045 7.607 1.00 0.00 N ATOM 1281 CA VAL A 98 17.103 9.348 8.186 1.00 0.00 C ATOM 1282 C VAL A 98 17.409 10.371 7.093 1.00 0.00 C ATOM 1283 O VAL A 98 18.306 11.201 7.236 1.00 0.00 O ATOM 1284 CB VAL A 98 18.294 9.260 9.164 1.00 0.00 C ATOM 1285 CG1 VAL A 98 19.570 8.868 8.430 1.00 0.00 C ATOM 1286 CG2 VAL A 98 18.479 10.573 9.911 1.00 0.00 C ATOM 0 H VAL A 98 17.333 7.820 6.769 1.00 0.00 H new ATOM 0 HA VAL A 98 16.222 9.673 8.740 1.00 0.00 H new ATOM 0 HB VAL A 98 18.074 8.483 9.896 1.00 0.00 H new ATOM 0 HG11 VAL A 98 20.395 8.812 9.140 1.00 0.00 H new ATOM 0 HG12 VAL A 98 19.433 7.896 7.956 1.00 0.00 H new ATOM 0 HG13 VAL A 98 19.796 9.615 7.669 1.00 0.00 H new ATOM 0 HG21 VAL A 98 19.324 10.487 10.594 1.00 0.00 H new ATOM 0 HG22 VAL A 98 18.670 11.374 9.197 1.00 0.00 H new ATOM 0 HG23 VAL A 98 17.576 10.800 10.478 1.00 0.00 H new ATOM 1296 N GLN A 99 16.657 10.303 6.001 1.00 0.00 N ATOM 1297 CA GLN A 99 16.845 11.221 4.884 1.00 0.00 C ATOM 1298 C GLN A 99 15.906 12.418 5.000 1.00 0.00 C ATOM 1299 O GLN A 99 14.785 12.390 4.494 1.00 0.00 O ATOM 1300 CB GLN A 99 16.607 10.499 3.556 1.00 0.00 C ATOM 1301 CG GLN A 99 17.472 9.263 3.367 1.00 0.00 C ATOM 1302 CD GLN A 99 18.943 9.594 3.208 1.00 0.00 C ATOM 1303 OE1 GLN A 99 19.432 10.588 3.745 1.00 0.00 O ATOM 1304 NE2 GLN A 99 19.659 8.757 2.466 1.00 0.00 N ATOM 0 H GLN A 99 15.911 9.621 5.865 1.00 0.00 H new ATOM 0 HA GLN A 99 17.873 11.583 4.913 1.00 0.00 H new ATOM 0 HB2 GLN A 99 15.558 10.210 3.493 1.00 0.00 H new ATOM 0 HB3 GLN A 99 16.796 11.193 2.737 1.00 0.00 H new ATOM 0 HG2 GLN A 99 17.344 8.601 4.223 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.130 8.717 2.488 1.00 0.00 H new ATOM 0 HE21 GLN A 99 19.213 7.945 2.039 1.00 0.00 H new ATOM 0 HE22 GLN A 99 20.655 8.926 2.323 1.00 0.00 H new ATOM 1313 N ASN A 100 16.372 13.466 5.671 1.00 0.00 N ATOM 1314 CA ASN A 100 15.573 14.672 5.854 1.00 0.00 C ATOM 1315 C ASN A 100 15.737 15.621 4.669 1.00 0.00 C ATOM 1316 O ASN A 100 14.867 15.599 3.772 1.00 0.00 O ATOM 1317 CB ASN A 100 15.966 15.378 7.155 1.00 0.00 C ATOM 1318 CG ASN A 100 17.458 15.636 7.251 1.00 0.00 C ATOM 1319 OD1 ASN A 100 18.222 14.771 7.679 1.00 0.00 O ATOM 1320 ND2 ASN A 100 17.880 16.833 6.862 1.00 0.00 N ATOM 0 H ASN A 100 17.298 13.505 6.097 1.00 0.00 H new ATOM 0 HA ASN A 100 14.525 14.378 5.914 1.00 0.00 H new ATOM 0 HB2 ASN A 100 15.432 16.326 7.226 1.00 0.00 H new ATOM 0 HB3 ASN A 100 15.651 14.770 8.003 1.00 0.00 H new ATOM 0 HD21 ASN A 100 18.872 17.065 6.912 1.00 0.00 H new ATOM 0 HD22 ASN A 100 17.212 17.521 6.513 1.00 0.00 H new TER 1327 ASN A 100