USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 912 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 52 GLN : amide:sc= 1.4 K(o=2.6,f=-7.9!) USER MOD Set 1.2: A 102 LYS NZ :NH3+ -129:sc= 1.17 (180deg=-0.0184) USER MOD Set 2.1: A 87 GLN :FLIP amide:sc= 0 F(o=-4.1,f=-2.4) USER MOD Set 2.2: A 93 GLN : amide:sc= -2.42 X(o=-2.4,f=-2.8!) USER MOD Set 3.1: A 31 HIS :FLIP no HD1:sc= -0.812 X(o=-1.4,f=-0.97) USER MOD Set 3.2: A 34 MET CE :methyl 141:sc= 0 (180deg=-0.697) USER MOD Set 3.3: A 35 HIS :FLIP no HD1:sc= -0.163 F(o=-2,f=-0.97) USER MOD Set 4.1: A 33 GLN :FLIP amide:sc= -0.747 F(o=-4.3!,f=-1.1) USER MOD Set 4.2: A 81 GLN : amide:sc= -0.362 K(o=-1.1,f=-1.7) USER MOD Set 4.3: A 85 GLN : amide:sc= -0.0167 K(o=-1.1,f=-4) USER MOD Set 5.1: A 28 GLN : amide:sc= -1.98 K(o=-1.6,f=-4.5!) USER MOD Set 5.2: A 62 GLN : amide:sc= 0.378 K(o=-1.6,f=-7.9!) USER MOD Set 6.1: A 4 THR OG1 : rot 150:sc= 1.05 USER MOD Set 6.2: A 6 SER OG : rot 180:sc= -0.0425 USER MOD Single : A 1 GLY N :NH3+ 157:sc= 1.24 (180deg=1.21) USER MOD Single : A 5 LYS NZ :NH3+ -166:sc= -0.0437 (180deg=-0.268) USER MOD Single : A 18 ASN : amide:sc= -1.07 K(o=-1.1,f=-6.5!) USER MOD Single : A 23 GLN : amide:sc= 0.839 K(o=0.84,f=-6.2!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.166 K(o=-0.17,f=-5!) USER MOD Single : A 37 THR OG1 : rot -80:sc= 0.86 USER MOD Single : A 38 SER OG : rot 78:sc= 1.2 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= -0.0524 (180deg=-0.41) USER MOD Single : A 45 MET CE :methyl -159:sc= -0.206 (180deg=-0.801) USER MOD Single : A 49 ASN : amide:sc= -1.18 K(o=-1.2,f=-4.8!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 55 HIS : no HD1:sc= -0.0879 X(o=-0.088,f=-0.22) USER MOD Single : A 57 SER OG : rot 71:sc= 0.624 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 64 GLN : amide:sc= -1.28 X(o=-1.3,f=-1.7) USER MOD Single : A 68 LYS NZ :NH3+ -145:sc= -1.9! (180deg=-4.05!) USER MOD Single : A 69 GLN : amide:sc= 0.586 K(o=0.59,f=-0.56) USER MOD Single : A 71 GLN : amide:sc= -5.05! C(o=-5.1!,f=-8.7!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -1.25 K(o=-1.2,f=-1.8!) USER MOD Single : A 83 GLN : amide:sc= -0.233 K(o=-0.23,f=-1.1) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.686 X(o=-0.69,f=-0.55) USER MOD Single : A 90 GLN : amide:sc= -0.465 X(o=-0.46,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN :FLIP amide:sc=-0.00753 F(o=-1.3!,f=-0.0075) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN :FLIP amide:sc= 0 F(o=-2.1!,f=0) USER MOD Single : A 105 MET CE :methyl -144:sc= -0.151 (180deg=-0.494) USER MOD Single : A 108 ASN : amide:sc= 0.821 K(o=0.82,f=-0.18) USER MOD Single : A 109 GLN : amide:sc= -0.108 K(o=-0.11,f=-0.67) USER MOD Single : A 111 ASN : amide:sc= -0.014 K(o=-0.014,f=-0.65) USER MOD Single : A 113 GLN : amide:sc= -1.09 K(o=-1.1,f=-5.8!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.247 -15.798 13.365 1.00 0.00 N ATOM 2 CA GLY A 1 0.902 -14.388 13.522 1.00 0.00 C ATOM 3 C GLY A 1 0.586 -14.047 14.946 1.00 0.00 C ATOM 4 O GLY A 1 -0.493 -14.375 15.436 1.00 0.00 O ATOM 0 H1 GLY A 1 1.080 -16.089 12.381 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.250 -15.939 13.602 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.657 -16.373 14.000 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.731 -13.770 13.176 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.044 -14.152 12.893 1.00 0.00 H new ATOM 10 N ARG A 2 1.523 -13.431 15.635 1.00 0.00 N ATOM 11 CA ARG A 2 1.293 -13.002 17.001 1.00 0.00 C ATOM 12 C ARG A 2 0.857 -11.557 16.994 1.00 0.00 C ATOM 13 O ARG A 2 1.239 -10.798 16.094 1.00 0.00 O ATOM 14 CB ARG A 2 2.550 -13.151 17.864 1.00 0.00 C ATOM 15 CG ARG A 2 3.110 -14.564 17.965 1.00 0.00 C ATOM 16 CD ARG A 2 2.107 -15.560 18.541 1.00 0.00 C ATOM 17 NE ARG A 2 1.624 -15.190 19.879 1.00 0.00 N ATOM 18 CZ ARG A 2 1.360 -16.049 20.877 1.00 0.00 C ATOM 19 NH1 ARG A 2 1.704 -17.334 20.777 1.00 0.00 N ATOM 20 NH2 ARG A 2 0.778 -15.609 21.990 1.00 0.00 N ATOM 0 H ARG A 2 2.452 -13.215 15.273 1.00 0.00 H new ATOM 0 HA ARG A 2 0.518 -13.636 17.432 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.325 -12.499 17.462 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.324 -12.795 18.869 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.419 -14.899 16.975 1.00 0.00 H new ATOM 0 HG3 ARG A 2 4.003 -14.552 18.590 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.256 -15.641 17.865 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.571 -16.545 18.589 1.00 0.00 H new ATOM 0 HE ARG A 2 1.477 -14.198 20.065 1.00 0.00 H new ATOM 0 HH11 ARG A 2 2.172 -17.673 19.937 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.499 -17.978 21.541 1.00 0.00 H new ATOM 0 HH21 ARG A 2 0.534 -14.623 22.083 1.00 0.00 H new ATOM 0 HH22 ARG A 2 0.576 -16.258 22.751 1.00 0.00 H new ATOM 34 N CYS A 3 0.088 -11.174 17.964 1.00 0.00 N ATOM 35 CA CYS A 3 -0.370 -9.819 18.072 1.00 0.00 C ATOM 36 C CYS A 3 -0.482 -9.485 19.529 1.00 0.00 C ATOM 37 O CYS A 3 -0.523 -10.384 20.376 1.00 0.00 O ATOM 38 CB CYS A 3 -1.718 -9.641 17.379 1.00 0.00 C ATOM 39 SG CYS A 3 -2.096 -7.960 16.817 1.00 0.00 S ATOM 0 H CYS A 3 -0.242 -11.791 18.706 1.00 0.00 H new ATOM 0 HA CYS A 3 0.337 -9.149 17.582 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.755 -10.309 16.518 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.503 -9.961 18.064 1.00 0.00 H new ATOM 44 N THR A 4 -0.513 -8.236 19.820 1.00 0.00 N ATOM 45 CA THR A 4 -0.588 -7.792 21.179 1.00 0.00 C ATOM 46 C THR A 4 -2.031 -7.754 21.641 1.00 0.00 C ATOM 47 O THR A 4 -2.971 -7.669 20.815 1.00 0.00 O ATOM 48 CB THR A 4 0.053 -6.398 21.353 1.00 0.00 C ATOM 49 OG1 THR A 4 -0.629 -5.427 20.544 1.00 0.00 O ATOM 50 CG2 THR A 4 1.521 -6.432 20.964 1.00 0.00 C ATOM 0 H THR A 4 -0.487 -7.486 19.129 1.00 0.00 H new ATOM 0 HA THR A 4 -0.031 -8.502 21.790 1.00 0.00 H new ATOM 0 HB THR A 4 -0.033 -6.118 22.403 1.00 0.00 H new ATOM 0 HG1 THR A 4 -0.578 -4.548 20.975 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.955 -5.440 21.093 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.049 -7.145 21.598 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.614 -6.735 19.921 1.00 0.00 H new ATOM 58 N LYS A 5 -2.225 -7.822 22.927 1.00 0.00 N ATOM 59 CA LYS A 5 -3.535 -7.733 23.494 1.00 0.00 C ATOM 60 C LYS A 5 -3.839 -6.279 23.720 1.00 0.00 C ATOM 61 O LYS A 5 -3.657 -5.736 24.819 1.00 0.00 O ATOM 62 CB LYS A 5 -3.609 -8.481 24.804 1.00 0.00 C ATOM 63 CG LYS A 5 -3.210 -9.957 24.718 1.00 0.00 C ATOM 64 CD LYS A 5 -4.122 -10.763 23.787 1.00 0.00 C ATOM 65 CE LYS A 5 -5.550 -10.874 24.322 1.00 0.00 C ATOM 66 NZ LYS A 5 -5.596 -11.545 25.643 1.00 0.00 N ATOM 0 H LYS A 5 -1.477 -7.941 23.610 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.261 -8.181 22.815 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.962 -7.985 25.528 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.627 -8.415 25.188 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.181 -10.031 24.366 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.237 -10.395 25.716 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.141 -10.292 22.804 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.708 -11.763 23.654 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.985 -9.878 24.406 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.162 -11.430 23.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.577 -11.813 25.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.001 -12.397 25.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.243 -10.896 26.375 1.00 0.00 H new ATOM 80 N SER A 6 -4.152 -5.618 22.662 1.00 0.00 N ATOM 81 CA SER A 6 -4.427 -4.226 22.710 1.00 0.00 C ATOM 82 C SER A 6 -5.466 -3.890 21.667 1.00 0.00 C ATOM 83 O SER A 6 -5.708 -4.691 20.774 1.00 0.00 O ATOM 84 CB SER A 6 -3.135 -3.487 22.417 1.00 0.00 C ATOM 85 OG SER A 6 -2.131 -3.787 23.379 1.00 0.00 O ATOM 0 H SER A 6 -4.225 -6.031 21.732 1.00 0.00 H new ATOM 0 HA SER A 6 -4.808 -3.937 23.689 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.779 -3.756 21.423 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.323 -2.413 22.409 1.00 0.00 H new ATOM 0 HG SER A 6 -1.311 -3.296 23.160 1.00 0.00 H new ATOM 91 N ILE A 7 -6.128 -2.770 21.815 1.00 0.00 N ATOM 92 CA ILE A 7 -7.066 -2.298 20.818 1.00 0.00 C ATOM 93 C ILE A 7 -6.741 -0.839 20.482 1.00 0.00 C ATOM 94 O ILE A 7 -6.885 0.035 21.342 1.00 0.00 O ATOM 95 CB ILE A 7 -8.546 -2.445 21.285 1.00 0.00 C ATOM 96 CG1 ILE A 7 -8.852 -3.928 21.565 1.00 0.00 C ATOM 97 CG2 ILE A 7 -9.506 -1.885 20.228 1.00 0.00 C ATOM 98 CD1 ILE A 7 -10.245 -4.207 22.068 1.00 0.00 C ATOM 0 H ILE A 7 -6.035 -2.159 22.626 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.962 -2.915 19.926 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.688 -1.873 22.202 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.692 -4.496 20.648 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.136 -4.299 22.298 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -10.534 -1.997 20.574 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.292 -0.829 20.065 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.376 -2.430 19.293 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.364 -5.277 22.236 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.408 -3.673 23.004 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.973 -3.873 21.328 1.00 0.00 H new ATOM 110 N PRO A 8 -6.255 -0.544 19.262 1.00 0.00 N ATOM 111 CA PRO A 8 -6.003 -1.538 18.205 1.00 0.00 C ATOM 112 C PRO A 8 -4.759 -2.387 18.506 1.00 0.00 C ATOM 113 O PRO A 8 -3.783 -1.886 19.086 1.00 0.00 O ATOM 114 CB PRO A 8 -5.761 -0.682 16.946 1.00 0.00 C ATOM 115 CG PRO A 8 -6.115 0.716 17.336 1.00 0.00 C ATOM 116 CD PRO A 8 -5.905 0.801 18.812 1.00 0.00 C ATOM 0 HA PRO A 8 -6.829 -2.242 18.104 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.722 -0.747 16.621 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.377 -1.025 16.115 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.489 1.437 16.811 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.149 0.943 17.076 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.875 1.056 19.061 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.541 1.559 19.269 1.00 0.00 H new ATOM 124 N PRO A 9 -4.789 -3.675 18.154 1.00 0.00 N ATOM 125 CA PRO A 9 -3.685 -4.589 18.424 1.00 0.00 C ATOM 126 C PRO A 9 -2.476 -4.335 17.524 1.00 0.00 C ATOM 127 O PRO A 9 -2.601 -3.777 16.427 1.00 0.00 O ATOM 128 CB PRO A 9 -4.298 -5.960 18.150 1.00 0.00 C ATOM 129 CG PRO A 9 -5.349 -5.705 17.137 1.00 0.00 C ATOM 130 CD PRO A 9 -5.915 -4.360 17.475 1.00 0.00 C ATOM 0 HA PRO A 9 -3.295 -4.477 19.436 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.551 -6.661 17.778 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.719 -6.394 19.057 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.933 -5.713 16.130 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.120 -6.475 17.170 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.233 -3.822 16.582 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.786 -4.442 18.125 1.00 0.00 H new ATOM 138 N ILE A 10 -1.327 -4.733 17.987 1.00 0.00 N ATOM 139 CA ILE A 10 -0.087 -4.554 17.272 1.00 0.00 C ATOM 140 C ILE A 10 0.350 -5.930 16.854 1.00 0.00 C ATOM 141 O ILE A 10 0.672 -6.755 17.711 1.00 0.00 O ATOM 142 CB ILE A 10 1.005 -3.955 18.205 1.00 0.00 C ATOM 143 CG1 ILE A 10 0.501 -2.677 18.918 1.00 0.00 C ATOM 144 CG2 ILE A 10 2.297 -3.684 17.439 1.00 0.00 C ATOM 145 CD1 ILE A 10 0.114 -1.544 17.990 1.00 0.00 C ATOM 0 H ILE A 10 -1.218 -5.200 18.887 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.224 -3.878 16.428 1.00 0.00 H new ATOM 0 HB ILE A 10 1.222 -4.697 18.974 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.362 -2.936 19.532 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.279 -2.324 19.595 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.041 -3.266 18.117 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.673 -4.617 17.018 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.101 -2.976 16.634 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.226 -0.692 18.578 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.978 -1.251 17.393 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.688 -1.873 17.330 1.00 0.00 H new ATOM 157 N CYS A 11 0.336 -6.216 15.588 1.00 0.00 N ATOM 158 CA CYS A 11 0.629 -7.557 15.172 1.00 0.00 C ATOM 159 C CYS A 11 2.022 -7.638 14.621 1.00 0.00 C ATOM 160 O CYS A 11 2.518 -6.689 14.009 1.00 0.00 O ATOM 161 CB CYS A 11 -0.410 -8.086 14.175 1.00 0.00 C ATOM 162 SG CYS A 11 -2.165 -8.081 14.771 1.00 0.00 S ATOM 0 H CYS A 11 0.130 -5.557 14.838 1.00 0.00 H new ATOM 0 HA CYS A 11 0.572 -8.203 16.048 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.352 -7.488 13.266 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.140 -9.106 13.903 1.00 0.00 H new ATOM 167 N PHE A 12 2.666 -8.733 14.880 1.00 0.00 N ATOM 168 CA PHE A 12 4.035 -8.916 14.505 1.00 0.00 C ATOM 169 C PHE A 12 4.163 -9.701 13.220 1.00 0.00 C ATOM 170 O PHE A 12 3.301 -10.538 12.910 1.00 0.00 O ATOM 171 CB PHE A 12 4.802 -9.602 15.641 1.00 0.00 C ATOM 172 CG PHE A 12 4.967 -8.725 16.835 1.00 0.00 C ATOM 173 CD1 PHE A 12 5.915 -7.724 16.822 1.00 0.00 C ATOM 174 CD2 PHE A 12 4.177 -8.885 17.961 1.00 0.00 C ATOM 175 CE1 PHE A 12 6.082 -6.895 17.896 1.00 0.00 C ATOM 176 CE2 PHE A 12 4.339 -8.056 19.052 1.00 0.00 C ATOM 177 CZ PHE A 12 5.293 -7.057 19.021 1.00 0.00 C ATOM 0 H PHE A 12 2.254 -9.532 15.362 1.00 0.00 H new ATOM 0 HA PHE A 12 4.470 -7.933 14.326 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.275 -10.511 15.933 1.00 0.00 H new ATOM 0 HB3 PHE A 12 5.785 -9.905 15.279 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.536 -7.593 15.948 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.429 -9.664 17.985 1.00 0.00 H new ATOM 0 HE1 PHE A 12 6.828 -6.115 17.866 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.722 -8.188 19.928 1.00 0.00 H new ATOM 0 HZ PHE A 12 5.422 -6.405 19.872 1.00 0.00 H new ATOM 187 N PRO A 13 5.273 -9.487 12.467 1.00 0.00 N ATOM 188 CA PRO A 13 5.555 -10.200 11.202 1.00 0.00 C ATOM 189 C PRO A 13 6.077 -11.618 11.494 1.00 0.00 C ATOM 190 O PRO A 13 7.048 -12.105 10.891 1.00 0.00 O ATOM 191 CB PRO A 13 6.649 -9.340 10.567 1.00 0.00 C ATOM 192 CG PRO A 13 7.374 -8.721 11.712 1.00 0.00 C ATOM 193 CD PRO A 13 6.363 -8.532 12.810 1.00 0.00 C ATOM 0 HA PRO A 13 4.680 -10.324 10.564 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.320 -9.944 9.957 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.222 -8.579 9.914 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.192 -9.361 12.044 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.814 -7.767 11.422 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.791 -8.750 13.788 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.998 -7.505 12.844 1.00 0.00 H new ATOM 201 N ASP A 14 5.383 -12.259 12.401 1.00 0.00 N ATOM 202 CA ASP A 14 5.673 -13.580 12.918 1.00 0.00 C ATOM 203 C ASP A 14 5.692 -14.625 11.830 1.00 0.00 C ATOM 204 O ASP A 14 6.662 -15.363 11.685 1.00 0.00 O ATOM 205 CB ASP A 14 4.644 -13.919 13.995 1.00 0.00 C ATOM 206 CG ASP A 14 4.721 -15.335 14.484 1.00 0.00 C ATOM 207 OD1 ASP A 14 3.839 -16.125 14.117 1.00 0.00 O ATOM 208 OD2 ASP A 14 5.636 -15.667 15.254 1.00 0.00 O ATOM 0 H ASP A 14 4.550 -11.851 12.826 1.00 0.00 H new ATOM 0 HA ASP A 14 6.673 -13.577 13.351 1.00 0.00 H new ATOM 0 HB2 ASP A 14 4.782 -13.245 14.840 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.645 -13.735 13.600 1.00 0.00 H new ATOM 213 N GLY A 15 4.646 -14.675 11.075 1.00 0.00 N ATOM 214 CA GLY A 15 4.584 -15.606 9.991 1.00 0.00 C ATOM 215 C GLY A 15 4.755 -14.904 8.682 1.00 0.00 C ATOM 216 O GLY A 15 5.492 -15.365 7.803 1.00 0.00 O ATOM 0 H GLY A 15 3.822 -14.084 11.186 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.361 -16.361 10.109 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.627 -16.128 10.007 1.00 0.00 H new ATOM 220 N LEU A 16 4.096 -13.775 8.559 1.00 0.00 N ATOM 221 CA LEU A 16 4.102 -12.967 7.397 1.00 0.00 C ATOM 222 C LEU A 16 3.516 -11.628 7.771 1.00 0.00 C ATOM 223 O LEU A 16 3.001 -11.473 8.890 1.00 0.00 O ATOM 224 CB LEU A 16 3.302 -13.664 6.254 1.00 0.00 C ATOM 225 CG LEU A 16 1.858 -14.138 6.565 1.00 0.00 C ATOM 226 CD1 LEU A 16 0.869 -12.980 6.668 1.00 0.00 C ATOM 227 CD2 LEU A 16 1.399 -15.157 5.537 1.00 0.00 C ATOM 0 H LEU A 16 3.520 -13.392 9.309 1.00 0.00 H new ATOM 0 HA LEU A 16 5.115 -12.821 7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.254 -12.975 5.411 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.875 -14.531 5.925 1.00 0.00 H new ATOM 0 HG LEU A 16 1.881 -14.614 7.545 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.125 -13.369 6.887 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.179 -12.307 7.467 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.846 -12.436 5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.384 -15.478 5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.417 -14.706 4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.066 -16.019 5.556 1.00 0.00 H new ATOM 239 N ASP A 17 3.619 -10.683 6.899 1.00 0.00 N ATOM 240 CA ASP A 17 2.991 -9.385 7.099 1.00 0.00 C ATOM 241 C ASP A 17 2.412 -8.866 5.788 1.00 0.00 C ATOM 242 O ASP A 17 2.085 -7.690 5.658 1.00 0.00 O ATOM 243 CB ASP A 17 3.956 -8.358 7.748 1.00 0.00 C ATOM 244 CG ASP A 17 5.050 -7.784 6.840 1.00 0.00 C ATOM 245 OD1 ASP A 17 4.849 -6.677 6.275 1.00 0.00 O ATOM 246 OD2 ASP A 17 6.144 -8.390 6.734 1.00 0.00 O ATOM 0 H ASP A 17 4.136 -10.770 6.024 1.00 0.00 H new ATOM 0 HA ASP A 17 2.171 -9.520 7.804 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.363 -7.529 8.135 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.436 -8.833 8.603 1.00 0.00 H new ATOM 251 N ASN A 18 2.211 -9.785 4.844 1.00 0.00 N ATOM 252 CA ASN A 18 1.663 -9.451 3.526 1.00 0.00 C ATOM 253 C ASN A 18 0.188 -9.123 3.615 1.00 0.00 C ATOM 254 O ASN A 18 -0.617 -9.950 4.037 1.00 0.00 O ATOM 255 CB ASN A 18 1.895 -10.570 2.466 1.00 0.00 C ATOM 256 CG ASN A 18 1.335 -11.932 2.831 1.00 0.00 C ATOM 257 OD1 ASN A 18 2.005 -12.709 3.475 1.00 0.00 O ATOM 258 ND2 ASN A 18 0.150 -12.251 2.377 1.00 0.00 N ATOM 0 H ASN A 18 2.421 -10.775 4.968 1.00 0.00 H new ATOM 0 HA ASN A 18 2.209 -8.570 3.190 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.450 -10.253 1.523 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.967 -10.670 2.295 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.235 -13.177 2.562 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.389 -11.573 1.838 1.00 0.00 H new ATOM 265 N PRO A 19 -0.196 -7.898 3.259 1.00 0.00 N ATOM 266 CA PRO A 19 -1.595 -7.507 3.254 1.00 0.00 C ATOM 267 C PRO A 19 -2.345 -8.094 2.063 1.00 0.00 C ATOM 268 O PRO A 19 -3.553 -8.256 2.096 1.00 0.00 O ATOM 269 CB PRO A 19 -1.550 -5.970 3.216 1.00 0.00 C ATOM 270 CG PRO A 19 -0.117 -5.623 3.476 1.00 0.00 C ATOM 271 CD PRO A 19 0.678 -6.762 2.940 1.00 0.00 C ATOM 0 HA PRO A 19 -2.137 -7.881 4.123 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.880 -5.588 2.250 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.205 -5.536 3.971 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.155 -4.690 2.983 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.065 -5.486 4.542 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.858 -6.670 1.869 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.653 -6.845 3.421 1.00 0.00 H new ATOM 279 N ARG A 20 -1.618 -8.406 1.010 1.00 0.00 N ATOM 280 CA ARG A 20 -2.213 -9.053 -0.149 1.00 0.00 C ATOM 281 C ARG A 20 -1.355 -10.201 -0.531 1.00 0.00 C ATOM 282 O ARG A 20 -1.744 -11.360 -0.410 1.00 0.00 O ATOM 283 CB ARG A 20 -2.403 -8.126 -1.386 1.00 0.00 C ATOM 284 CG ARG A 20 -3.223 -6.873 -1.160 1.00 0.00 C ATOM 285 CD ARG A 20 -2.407 -5.820 -0.457 1.00 0.00 C ATOM 286 NE ARG A 20 -3.246 -4.739 0.054 1.00 0.00 N ATOM 287 CZ ARG A 20 -2.816 -3.612 0.642 1.00 0.00 C ATOM 288 NH1 ARG A 20 -1.514 -3.322 0.739 1.00 0.00 N ATOM 289 NH2 ARG A 20 -3.694 -2.768 1.109 1.00 0.00 N ATOM 0 H ARG A 20 -0.618 -8.224 0.929 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.216 -9.361 0.147 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.418 -7.831 -1.748 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.874 -8.706 -2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.577 -6.487 -2.116 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.105 -7.112 -0.566 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.858 -6.275 0.367 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.668 -5.412 -1.146 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.255 -4.851 -0.046 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.819 -3.965 0.361 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.216 -2.458 1.191 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.690 -2.969 1.024 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.384 -1.907 1.559 1.00 0.00 H new ATOM 303 N GLY A 21 -0.157 -9.882 -0.910 1.00 0.00 N ATOM 304 CA GLY A 21 0.744 -10.894 -1.359 1.00 0.00 C ATOM 305 C GLY A 21 2.147 -10.541 -1.075 1.00 0.00 C ATOM 306 O GLY A 21 2.888 -11.313 -0.471 1.00 0.00 O ATOM 0 H GLY A 21 0.218 -8.933 -0.917 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.501 -11.839 -0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.617 -11.045 -2.431 1.00 0.00 H new ATOM 310 N CYS A 22 2.518 -9.387 -1.487 1.00 0.00 N ATOM 311 CA CYS A 22 3.819 -8.897 -1.222 1.00 0.00 C ATOM 312 C CYS A 22 3.869 -8.243 0.127 1.00 0.00 C ATOM 313 O CYS A 22 3.002 -7.426 0.477 1.00 0.00 O ATOM 314 CB CYS A 22 4.279 -7.946 -2.299 1.00 0.00 C ATOM 315 SG CYS A 22 4.756 -8.747 -3.859 1.00 0.00 S ATOM 0 H CYS A 22 1.925 -8.751 -2.021 1.00 0.00 H new ATOM 0 HA CYS A 22 4.503 -9.745 -1.220 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.480 -7.232 -2.501 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.129 -7.376 -1.924 1.00 0.00 H new ATOM 320 N GLN A 23 4.824 -8.654 0.906 1.00 0.00 N ATOM 321 CA GLN A 23 5.039 -8.099 2.207 1.00 0.00 C ATOM 322 C GLN A 23 6.272 -7.230 2.184 1.00 0.00 C ATOM 323 O GLN A 23 7.408 -7.714 2.140 1.00 0.00 O ATOM 324 CB GLN A 23 5.127 -9.205 3.262 1.00 0.00 C ATOM 325 CG GLN A 23 6.208 -10.234 3.015 1.00 0.00 C ATOM 326 CD GLN A 23 6.071 -11.442 3.885 1.00 0.00 C ATOM 327 OE1 GLN A 23 5.552 -11.374 4.993 1.00 0.00 O ATOM 328 NE2 GLN A 23 6.530 -12.553 3.404 1.00 0.00 N ATOM 0 H GLN A 23 5.482 -9.391 0.653 1.00 0.00 H new ATOM 0 HA GLN A 23 4.190 -7.473 2.483 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.298 -8.746 4.236 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.165 -9.715 3.314 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.179 -10.540 1.969 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.183 -9.778 3.186 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.956 -12.570 2.477 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.466 -13.411 3.952 1.00 0.00 H new ATOM 337 N ILE A 24 6.071 -5.969 2.158 1.00 0.00 N ATOM 338 CA ILE A 24 7.181 -5.083 2.115 1.00 0.00 C ATOM 339 C ILE A 24 7.272 -4.418 3.453 1.00 0.00 C ATOM 340 O ILE A 24 6.251 -3.969 3.999 1.00 0.00 O ATOM 341 CB ILE A 24 7.114 -4.005 0.976 1.00 0.00 C ATOM 342 CG1 ILE A 24 6.719 -4.609 -0.385 1.00 0.00 C ATOM 343 CG2 ILE A 24 8.469 -3.349 0.822 1.00 0.00 C ATOM 344 CD1 ILE A 24 5.240 -4.845 -0.567 1.00 0.00 C ATOM 0 H ILE A 24 5.154 -5.522 2.165 1.00 0.00 H new ATOM 0 HA ILE A 24 8.068 -5.673 1.884 1.00 0.00 H new ATOM 0 HB ILE A 24 6.351 -3.283 1.267 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.067 -3.945 -1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.242 -5.557 -0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.423 -2.600 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.750 -2.869 1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.212 -4.104 0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.058 -5.271 -1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.885 -5.536 0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.707 -3.899 -0.477 1.00 0.00 H new ATOM 356 N ARG A 25 8.454 -4.394 3.997 1.00 0.00 N ATOM 357 CA ARG A 25 8.686 -3.848 5.299 1.00 0.00 C ATOM 358 C ARG A 25 8.464 -2.348 5.296 1.00 0.00 C ATOM 359 O ARG A 25 9.110 -1.608 4.555 1.00 0.00 O ATOM 360 CB ARG A 25 10.089 -4.228 5.802 1.00 0.00 C ATOM 361 CG ARG A 25 11.238 -3.744 4.932 1.00 0.00 C ATOM 362 CD ARG A 25 12.558 -4.355 5.354 1.00 0.00 C ATOM 363 NE ARG A 25 13.671 -3.865 4.532 1.00 0.00 N ATOM 364 CZ ARG A 25 14.379 -4.611 3.664 1.00 0.00 C ATOM 365 NH1 ARG A 25 14.059 -5.893 3.441 1.00 0.00 N ATOM 366 NH2 ARG A 25 15.381 -4.065 3.000 1.00 0.00 N ATOM 0 H ARG A 25 9.292 -4.757 3.543 1.00 0.00 H new ATOM 0 HA ARG A 25 7.967 -4.278 5.996 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.219 -3.825 6.806 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.147 -5.313 5.884 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.037 -3.996 3.891 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.305 -2.658 4.990 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.749 -4.121 6.401 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.498 -5.441 5.276 1.00 0.00 H new ATOM 0 HE ARG A 25 13.928 -2.882 4.626 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.270 -6.315 3.932 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.604 -6.447 2.780 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.615 -3.083 3.146 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.921 -4.625 2.341 1.00 0.00 H new ATOM 380 N ILE A 26 7.552 -1.893 6.124 1.00 0.00 N ATOM 381 CA ILE A 26 7.208 -0.479 6.186 1.00 0.00 C ATOM 382 C ILE A 26 8.365 0.380 6.663 1.00 0.00 C ATOM 383 O ILE A 26 8.403 1.582 6.428 1.00 0.00 O ATOM 384 CB ILE A 26 5.888 -0.205 6.983 1.00 0.00 C ATOM 385 CG1 ILE A 26 5.879 -0.827 8.408 1.00 0.00 C ATOM 386 CG2 ILE A 26 4.704 -0.708 6.194 1.00 0.00 C ATOM 387 CD1 ILE A 26 6.741 -0.125 9.438 1.00 0.00 C ATOM 0 H ILE A 26 7.028 -2.482 6.771 1.00 0.00 H new ATOM 0 HA ILE A 26 7.003 -0.177 5.159 1.00 0.00 H new ATOM 0 HB ILE A 26 5.826 0.875 7.120 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.851 -0.842 8.771 1.00 0.00 H new ATOM 0 HG13 ILE A 26 6.206 -1.864 8.334 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.787 -0.516 6.751 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.660 -0.192 5.235 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.808 -1.780 6.025 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.660 -0.642 10.394 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.780 -0.132 9.109 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.404 0.905 9.553 1.00 0.00 H new ATOM 399 N GLN A 27 9.353 -0.270 7.244 1.00 0.00 N ATOM 400 CA GLN A 27 10.519 0.404 7.756 1.00 0.00 C ATOM 401 C GLN A 27 11.439 0.818 6.617 1.00 0.00 C ATOM 402 O GLN A 27 12.416 1.518 6.822 1.00 0.00 O ATOM 403 CB GLN A 27 11.266 -0.499 8.722 1.00 0.00 C ATOM 404 CG GLN A 27 11.885 -1.721 8.075 1.00 0.00 C ATOM 405 CD GLN A 27 12.641 -2.588 9.046 1.00 0.00 C ATOM 406 OE1 GLN A 27 12.079 -3.496 9.656 1.00 0.00 O ATOM 407 NE2 GLN A 27 13.911 -2.335 9.193 1.00 0.00 N ATOM 0 H GLN A 27 9.366 -1.282 7.372 1.00 0.00 H new ATOM 0 HA GLN A 27 10.194 1.299 8.286 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.052 0.079 9.208 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.579 -0.824 9.504 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.099 -2.313 7.605 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.560 -1.401 7.282 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.343 -1.573 8.670 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.473 -2.899 9.831 1.00 0.00 H new ATOM 416 N GLN A 28 11.150 0.363 5.419 1.00 0.00 N ATOM 417 CA GLN A 28 11.964 0.753 4.323 1.00 0.00 C ATOM 418 C GLN A 28 11.305 1.901 3.567 1.00 0.00 C ATOM 419 O GLN A 28 11.960 2.622 2.822 1.00 0.00 O ATOM 420 CB GLN A 28 12.269 -0.408 3.396 1.00 0.00 C ATOM 421 CG GLN A 28 11.175 -0.771 2.421 1.00 0.00 C ATOM 422 CD GLN A 28 11.680 -1.568 1.245 1.00 0.00 C ATOM 423 OE1 GLN A 28 11.133 -1.486 0.168 1.00 0.00 O ATOM 424 NE2 GLN A 28 12.737 -2.316 1.432 1.00 0.00 N ATOM 0 H GLN A 28 10.375 -0.261 5.195 1.00 0.00 H new ATOM 0 HA GLN A 28 12.920 1.094 4.721 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.170 -0.171 2.831 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.495 -1.284 4.003 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.408 -1.345 2.940 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.700 0.141 2.059 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.173 -2.362 2.353 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.125 -2.853 0.657 1.00 0.00 H new ATOM 433 N LEU A 29 10.003 2.083 3.780 1.00 0.00 N ATOM 434 CA LEU A 29 9.273 3.145 3.082 1.00 0.00 C ATOM 435 C LEU A 29 9.099 4.338 3.934 1.00 0.00 C ATOM 436 O LEU A 29 8.581 5.361 3.471 1.00 0.00 O ATOM 437 CB LEU A 29 7.892 2.728 2.568 1.00 0.00 C ATOM 438 CG LEU A 29 7.838 1.669 1.486 1.00 0.00 C ATOM 439 CD1 LEU A 29 8.943 1.885 0.461 1.00 0.00 C ATOM 440 CD2 LEU A 29 7.840 0.278 2.074 1.00 0.00 C ATOM 0 H LEU A 29 9.438 1.522 4.418 1.00 0.00 H new ATOM 0 HA LEU A 29 9.900 3.372 2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.311 2.370 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.390 3.619 2.191 1.00 0.00 H new ATOM 0 HG LEU A 29 6.893 1.768 0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.884 1.113 -0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.824 2.865 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.913 1.832 0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.801 -0.457 1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.750 0.130 2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.971 0.155 2.721 1.00 0.00 H new ATOM 452 N ASN A 30 9.539 4.231 5.164 1.00 0.00 N ATOM 453 CA ASN A 30 9.409 5.306 6.128 1.00 0.00 C ATOM 454 C ASN A 30 9.990 6.614 5.635 1.00 0.00 C ATOM 455 O ASN A 30 9.439 7.661 5.919 1.00 0.00 O ATOM 456 CB ASN A 30 9.958 4.951 7.524 1.00 0.00 C ATOM 457 CG ASN A 30 11.379 4.405 7.537 1.00 0.00 C ATOM 458 OD1 ASN A 30 12.183 4.657 6.639 1.00 0.00 O ATOM 459 ND2 ASN A 30 11.703 3.683 8.572 1.00 0.00 N ATOM 0 H ASN A 30 9.998 3.397 5.529 1.00 0.00 H new ATOM 0 HA ASN A 30 8.334 5.446 6.238 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.922 5.843 8.150 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.298 4.214 7.981 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.648 3.307 8.656 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.012 3.493 9.298 1.00 0.00 H new ATOM 466 N HIS A 31 11.041 6.539 4.826 1.00 0.00 N ATOM 467 CA HIS A 31 11.689 7.736 4.316 1.00 0.00 C ATOM 468 C HIS A 31 10.755 8.432 3.340 1.00 0.00 C ATOM 469 O HIS A 31 10.402 9.597 3.537 1.00 0.00 O ATOM 470 CB HIS A 31 13.005 7.391 3.623 1.00 0.00 C ATOM 471 CG HIS A 31 13.885 8.577 3.337 1.00 0.00 C ATOM 472 ND1 HIS A 31 13.627 9.726 2.667 1.00 0.00 N flip ATOM 473 CD2 HIS A 31 15.190 8.660 3.728 1.00 0.00 C flip ATOM 474 CE1 HIS A 31 14.769 10.509 2.649 1.00 0.00 C flip ATOM 475 NE2 HIS A 31 15.678 9.817 3.304 1.00 0.00 N flip ATOM 0 H HIS A 31 11.459 5.664 4.511 1.00 0.00 H new ATOM 0 HA HIS A 31 11.912 8.399 5.152 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.556 6.687 4.246 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.785 6.882 2.685 1.00 0.00 H new ATOM 0 HD2 HIS A 31 15.732 7.911 4.287 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.889 11.481 2.194 1.00 0.00 H new ATOM 0 HE2 HIS A 31 16.635 10.131 3.464 1.00 0.00 H new ATOM 483 N CYS A 32 10.341 7.695 2.311 1.00 0.00 N ATOM 484 CA CYS A 32 9.420 8.197 1.302 1.00 0.00 C ATOM 485 C CYS A 32 8.153 8.709 1.959 1.00 0.00 C ATOM 486 O CYS A 32 7.745 9.827 1.723 1.00 0.00 O ATOM 487 CB CYS A 32 9.106 7.099 0.265 1.00 0.00 C ATOM 488 SG CYS A 32 10.086 7.154 -1.249 1.00 0.00 S ATOM 0 H CYS A 32 10.637 6.731 2.156 1.00 0.00 H new ATOM 0 HA CYS A 32 9.890 9.028 0.777 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.252 6.127 0.736 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.052 7.168 -0.003 1.00 0.00 H new ATOM 493 N GLN A 33 7.581 7.898 2.822 1.00 0.00 N ATOM 494 CA GLN A 33 6.417 8.246 3.583 1.00 0.00 C ATOM 495 C GLN A 33 6.581 9.591 4.331 1.00 0.00 C ATOM 496 O GLN A 33 5.798 10.521 4.127 1.00 0.00 O ATOM 497 CB GLN A 33 6.156 7.150 4.588 1.00 0.00 C ATOM 498 CG GLN A 33 5.101 7.527 5.589 1.00 0.00 C ATOM 499 CD GLN A 33 5.021 6.599 6.786 1.00 0.00 C ATOM 500 OE1 GLN A 33 6.147 6.114 7.220 1.00 0.00 O flip ATOM 501 NE2 GLN A 33 3.958 6.375 7.359 1.00 0.00 N flip ATOM 0 H GLN A 33 7.926 6.957 3.013 1.00 0.00 H new ATOM 0 HA GLN A 33 5.583 8.358 2.891 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.848 6.246 4.063 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.082 6.914 5.112 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.295 8.540 5.941 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.132 7.543 5.090 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.090 6.769 6.996 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.943 5.795 8.198 1.00 0.00 H new ATOM 510 N MET A 34 7.608 9.695 5.171 1.00 0.00 N ATOM 511 CA MET A 34 7.765 10.892 5.999 1.00 0.00 C ATOM 512 C MET A 34 8.106 12.113 5.185 1.00 0.00 C ATOM 513 O MET A 34 7.556 13.183 5.410 1.00 0.00 O ATOM 514 CB MET A 34 8.750 10.712 7.173 1.00 0.00 C ATOM 515 CG MET A 34 10.206 10.457 6.810 1.00 0.00 C ATOM 516 SD MET A 34 11.255 10.277 8.270 1.00 0.00 S ATOM 517 CE MET A 34 12.837 9.883 7.517 1.00 0.00 C ATOM 0 H MET A 34 8.329 8.985 5.297 1.00 0.00 H new ATOM 0 HA MET A 34 6.784 11.052 6.446 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.706 11.606 7.795 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.401 9.881 7.786 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.274 9.554 6.203 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.576 11.281 6.199 1.00 0.00 H new ATOM 0 HE1 MET A 34 13.635 10.387 8.063 1.00 0.00 H new ATOM 0 HE2 MET A 34 12.998 8.805 7.551 1.00 0.00 H new ATOM 0 HE3 MET A 34 12.840 10.218 6.480 1.00 0.00 H new ATOM 527 N HIS A 35 8.968 11.950 4.224 1.00 0.00 N ATOM 528 CA HIS A 35 9.370 13.066 3.387 1.00 0.00 C ATOM 529 C HIS A 35 8.295 13.522 2.418 1.00 0.00 C ATOM 530 O HIS A 35 8.291 14.675 1.997 1.00 0.00 O ATOM 531 CB HIS A 35 10.708 12.811 2.702 1.00 0.00 C ATOM 532 CG HIS A 35 11.861 12.975 3.641 1.00 0.00 C ATOM 533 ND1 HIS A 35 12.378 12.119 4.545 1.00 0.00 N flip ATOM 534 CD2 HIS A 35 12.599 14.127 3.752 1.00 0.00 C flip ATOM 535 CE1 HIS A 35 13.426 12.732 5.215 1.00 0.00 C flip ATOM 536 NE2 HIS A 35 13.518 13.941 4.693 1.00 0.00 N flip ATOM 0 H HIS A 35 9.411 11.061 3.993 1.00 0.00 H new ATOM 0 HA HIS A 35 9.513 13.908 4.064 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.717 11.802 2.290 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.823 13.499 1.864 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.457 15.028 3.174 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.038 12.310 5.998 1.00 0.00 H new ATOM 0 HE2 HIS A 35 14.205 14.641 4.975 1.00 0.00 H new ATOM 544 N LEU A 36 7.380 12.646 2.070 1.00 0.00 N ATOM 545 CA LEU A 36 6.300 13.041 1.196 1.00 0.00 C ATOM 546 C LEU A 36 5.123 13.586 1.964 1.00 0.00 C ATOM 547 O LEU A 36 4.301 14.285 1.415 1.00 0.00 O ATOM 548 CB LEU A 36 5.863 11.921 0.287 1.00 0.00 C ATOM 549 CG LEU A 36 6.923 11.427 -0.685 1.00 0.00 C ATOM 550 CD1 LEU A 36 6.402 10.276 -1.492 1.00 0.00 C ATOM 551 CD2 LEU A 36 7.426 12.541 -1.590 1.00 0.00 C ATOM 0 H LEU A 36 7.361 11.672 2.372 1.00 0.00 H new ATOM 0 HA LEU A 36 6.695 13.842 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.537 11.082 0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.996 12.254 -0.284 1.00 0.00 H new ATOM 0 HG LEU A 36 7.773 11.082 -0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.174 9.936 -2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.126 9.459 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.526 10.595 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.182 12.145 -2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.594 12.944 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.863 13.334 -0.983 1.00 0.00 H new ATOM 563 N THR A 37 5.007 13.256 3.214 1.00 0.00 N ATOM 564 CA THR A 37 3.932 13.829 3.968 1.00 0.00 C ATOM 565 C THR A 37 4.311 15.184 4.538 1.00 0.00 C ATOM 566 O THR A 37 3.452 16.008 4.877 1.00 0.00 O ATOM 567 CB THR A 37 3.456 12.881 5.058 1.00 0.00 C ATOM 568 OG1 THR A 37 4.579 12.435 5.844 1.00 0.00 O ATOM 569 CG2 THR A 37 2.802 11.688 4.431 1.00 0.00 C ATOM 0 H THR A 37 5.619 12.616 3.721 1.00 0.00 H new ATOM 0 HA THR A 37 3.100 13.987 3.282 1.00 0.00 H new ATOM 0 HB THR A 37 2.745 13.404 5.698 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.044 11.714 5.370 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.461 11.008 5.212 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.950 12.012 3.834 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.519 11.174 3.791 1.00 0.00 H new ATOM 577 N SER A 38 5.582 15.407 4.640 1.00 0.00 N ATOM 578 CA SER A 38 6.108 16.624 5.156 1.00 0.00 C ATOM 579 C SER A 38 6.329 17.675 4.072 1.00 0.00 C ATOM 580 O SER A 38 7.041 17.432 3.095 1.00 0.00 O ATOM 581 CB SER A 38 7.395 16.322 5.875 1.00 0.00 C ATOM 582 OG SER A 38 7.161 15.369 6.912 1.00 0.00 O ATOM 0 H SER A 38 6.295 14.733 4.361 1.00 0.00 H new ATOM 0 HA SER A 38 5.378 17.049 5.845 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.132 15.934 5.172 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.809 17.238 6.297 1.00 0.00 H new ATOM 0 HG SER A 38 7.086 14.473 6.522 1.00 0.00 H new ATOM 588 N PHE A 39 5.717 18.827 4.232 1.00 0.00 N ATOM 589 CA PHE A 39 6.015 19.931 3.362 1.00 0.00 C ATOM 590 C PHE A 39 7.245 20.619 3.878 1.00 0.00 C ATOM 591 O PHE A 39 7.210 21.347 4.891 1.00 0.00 O ATOM 592 CB PHE A 39 4.844 20.896 3.199 1.00 0.00 C ATOM 593 CG PHE A 39 3.744 20.328 2.362 1.00 0.00 C ATOM 594 CD1 PHE A 39 3.929 20.155 1.000 1.00 0.00 C ATOM 595 CD2 PHE A 39 2.534 19.968 2.919 1.00 0.00 C ATOM 596 CE1 PHE A 39 2.934 19.634 0.214 1.00 0.00 C ATOM 597 CE2 PHE A 39 1.536 19.447 2.135 1.00 0.00 C ATOM 598 CZ PHE A 39 1.736 19.280 0.781 1.00 0.00 C ATOM 0 H PHE A 39 5.018 19.018 4.950 1.00 0.00 H new ATOM 0 HA PHE A 39 6.200 19.547 2.359 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.451 21.154 4.182 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.200 21.821 2.745 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.871 20.435 0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.372 20.097 3.979 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.092 19.503 -0.846 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.592 19.167 2.579 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.949 18.870 0.166 1.00 0.00 H new ATOM 608 N ASP A 40 8.344 20.323 3.232 1.00 0.00 N ATOM 609 CA ASP A 40 9.638 20.804 3.644 1.00 0.00 C ATOM 610 C ASP A 40 9.825 22.271 3.266 1.00 0.00 C ATOM 611 O ASP A 40 8.959 22.880 2.622 1.00 0.00 O ATOM 612 CB ASP A 40 10.746 19.922 3.071 1.00 0.00 C ATOM 613 CG ASP A 40 11.970 19.911 3.948 1.00 0.00 C ATOM 614 OD1 ASP A 40 12.737 20.871 3.924 1.00 0.00 O ATOM 615 OD2 ASP A 40 12.173 18.930 4.685 1.00 0.00 O ATOM 0 H ASP A 40 8.366 19.736 2.398 1.00 0.00 H new ATOM 0 HA ASP A 40 9.698 20.744 4.731 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.375 18.904 2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.016 20.279 2.077 1.00 0.00 H new ATOM 620 N TYR A 41 10.944 22.817 3.628 1.00 0.00 N ATOM 621 CA TYR A 41 11.184 24.228 3.508 1.00 0.00 C ATOM 622 C TYR A 41 11.955 24.606 2.272 1.00 0.00 C ATOM 623 O TYR A 41 11.634 25.587 1.606 1.00 0.00 O ATOM 624 CB TYR A 41 11.861 24.742 4.770 1.00 0.00 C ATOM 625 CG TYR A 41 13.160 24.043 5.181 1.00 0.00 C ATOM 626 CD1 TYR A 41 14.373 24.358 4.589 1.00 0.00 C ATOM 627 CD2 TYR A 41 13.157 23.079 6.182 1.00 0.00 C ATOM 628 CE1 TYR A 41 15.541 23.740 4.976 1.00 0.00 C ATOM 629 CE2 TYR A 41 14.324 22.451 6.576 1.00 0.00 C ATOM 630 CZ TYR A 41 15.514 22.786 5.971 1.00 0.00 C ATOM 631 OH TYR A 41 16.691 22.175 6.375 1.00 0.00 O ATOM 0 H TYR A 41 11.727 22.293 4.020 1.00 0.00 H new ATOM 0 HA TYR A 41 10.213 24.711 3.395 1.00 0.00 H new ATOM 0 HB2 TYR A 41 12.072 25.803 4.636 1.00 0.00 H new ATOM 0 HB3 TYR A 41 11.153 24.659 5.595 1.00 0.00 H new ATOM 0 HD1 TYR A 41 14.403 25.103 3.808 1.00 0.00 H new ATOM 0 HD2 TYR A 41 12.226 22.815 6.661 1.00 0.00 H new ATOM 0 HE1 TYR A 41 16.475 24.002 4.502 1.00 0.00 H new ATOM 0 HE2 TYR A 41 14.302 21.702 7.354 1.00 0.00 H new ATOM 0 HH TYR A 41 16.497 21.528 7.085 1.00 0.00 H new ATOM 641 N LYS A 42 12.931 23.797 1.913 1.00 0.00 N ATOM 642 CA LYS A 42 13.811 24.121 0.796 1.00 0.00 C ATOM 643 C LYS A 42 13.126 23.869 -0.551 1.00 0.00 C ATOM 644 O LYS A 42 13.709 24.051 -1.625 1.00 0.00 O ATOM 645 CB LYS A 42 15.161 23.394 0.922 1.00 0.00 C ATOM 646 CG LYS A 42 15.211 21.905 0.535 1.00 0.00 C ATOM 647 CD LYS A 42 14.323 21.050 1.401 1.00 0.00 C ATOM 648 CE LYS A 42 14.555 19.569 1.174 1.00 0.00 C ATOM 649 NZ LYS A 42 15.909 19.166 1.587 1.00 0.00 N ATOM 0 H LYS A 42 13.139 22.911 2.374 1.00 0.00 H new ATOM 0 HA LYS A 42 14.026 25.189 0.835 1.00 0.00 H new ATOM 0 HB2 LYS A 42 15.887 23.925 0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.495 23.483 1.956 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.911 21.794 -0.507 1.00 0.00 H new ATOM 0 HG3 LYS A 42 16.238 21.548 0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.503 21.288 2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.279 21.288 1.195 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.817 18.994 1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 42 14.410 19.334 0.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.942 18.134 1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.593 19.449 0.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.150 19.630 2.486 1.00 0.00 H new ATOM 663 N LEU A 43 11.858 23.505 -0.467 1.00 0.00 N ATOM 664 CA LEU A 43 11.008 23.293 -1.624 1.00 0.00 C ATOM 665 C LEU A 43 10.592 24.623 -2.224 1.00 0.00 C ATOM 666 O LEU A 43 10.031 24.685 -3.317 1.00 0.00 O ATOM 667 CB LEU A 43 9.788 22.491 -1.220 1.00 0.00 C ATOM 668 CG LEU A 43 10.072 21.104 -0.671 1.00 0.00 C ATOM 669 CD1 LEU A 43 8.818 20.524 -0.061 1.00 0.00 C ATOM 670 CD2 LEU A 43 10.610 20.197 -1.771 1.00 0.00 C ATOM 0 H LEU A 43 11.383 23.346 0.422 1.00 0.00 H new ATOM 0 HA LEU A 43 11.565 22.737 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.236 23.055 -0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.135 22.393 -2.087 1.00 0.00 H new ATOM 0 HG LEU A 43 10.832 21.179 0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.030 19.529 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.476 21.168 0.750 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.041 20.456 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.809 19.207 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.873 20.118 -2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.534 20.617 -2.169 1.00 0.00 H new ATOM 682 N ARG A 44 10.909 25.677 -1.504 1.00 0.00 N ATOM 683 CA ARG A 44 10.649 27.055 -1.900 1.00 0.00 C ATOM 684 C ARG A 44 11.245 27.392 -3.273 1.00 0.00 C ATOM 685 O ARG A 44 10.717 28.236 -3.993 1.00 0.00 O ATOM 686 CB ARG A 44 11.185 28.008 -0.833 1.00 0.00 C ATOM 687 CG ARG A 44 12.643 27.768 -0.479 1.00 0.00 C ATOM 688 CD ARG A 44 13.107 28.708 0.611 1.00 0.00 C ATOM 689 NE ARG A 44 13.103 30.108 0.177 1.00 0.00 N ATOM 690 CZ ARG A 44 13.561 31.138 0.898 1.00 0.00 C ATOM 691 NH1 ARG A 44 13.990 30.953 2.139 1.00 0.00 N ATOM 692 NH2 ARG A 44 13.577 32.349 0.371 1.00 0.00 N ATOM 0 H ARG A 44 11.370 25.602 -0.597 1.00 0.00 H new ATOM 0 HA ARG A 44 9.569 27.175 -1.989 1.00 0.00 H new ATOM 0 HB2 ARG A 44 11.069 29.034 -1.183 1.00 0.00 H new ATOM 0 HB3 ARG A 44 10.580 27.908 0.068 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.775 26.736 -0.153 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.262 27.903 -1.366 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.461 28.598 1.482 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.113 28.430 0.924 1.00 0.00 H new ATOM 0 HE ARG A 44 12.721 30.313 -0.746 1.00 0.00 H new ATOM 0 HH11 ARG A 44 13.972 30.020 2.551 1.00 0.00 H new ATOM 0 HH12 ARG A 44 14.338 31.744 2.682 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.241 32.495 -0.581 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.925 33.138 0.916 1.00 0.00 H new ATOM 706 N MET A 45 12.328 26.726 -3.625 1.00 0.00 N ATOM 707 CA MET A 45 12.981 26.939 -4.910 1.00 0.00 C ATOM 708 C MET A 45 12.996 25.643 -5.691 1.00 0.00 C ATOM 709 O MET A 45 13.804 25.467 -6.602 1.00 0.00 O ATOM 710 CB MET A 45 14.424 27.408 -4.716 1.00 0.00 C ATOM 711 CG MET A 45 14.582 28.736 -4.007 1.00 0.00 C ATOM 712 SD MET A 45 16.316 29.238 -3.876 1.00 0.00 S ATOM 713 CE MET A 45 17.019 27.862 -2.961 1.00 0.00 C ATOM 0 H MET A 45 12.780 26.026 -3.036 1.00 0.00 H new ATOM 0 HA MET A 45 12.425 27.704 -5.452 1.00 0.00 H new ATOM 0 HB2 MET A 45 14.963 26.647 -4.152 1.00 0.00 H new ATOM 0 HB3 MET A 45 14.901 27.478 -5.694 1.00 0.00 H new ATOM 0 HG2 MET A 45 14.023 29.502 -4.545 1.00 0.00 H new ATOM 0 HG3 MET A 45 14.149 28.667 -3.009 1.00 0.00 H new ATOM 0 HE1 MET A 45 17.949 28.177 -2.487 1.00 0.00 H new ATOM 0 HE2 MET A 45 16.314 27.536 -2.196 1.00 0.00 H new ATOM 0 HE3 MET A 45 17.221 27.037 -3.644 1.00 0.00 H new ATOM 723 N ALA A 46 12.106 24.740 -5.350 1.00 0.00 N ATOM 724 CA ALA A 46 12.077 23.461 -5.997 1.00 0.00 C ATOM 725 C ALA A 46 10.672 23.057 -6.367 1.00 0.00 C ATOM 726 O ALA A 46 9.933 22.528 -5.540 1.00 0.00 O ATOM 727 CB ALA A 46 12.729 22.397 -5.127 1.00 0.00 C ATOM 0 H ALA A 46 11.396 24.872 -4.629 1.00 0.00 H new ATOM 0 HA ALA A 46 12.650 23.550 -6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.694 21.436 -5.640 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.767 22.669 -4.936 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.193 22.323 -4.181 1.00 0.00 H new ATOM 733 N VAL A 47 10.295 23.330 -7.590 1.00 0.00 N ATOM 734 CA VAL A 47 8.995 22.920 -8.094 1.00 0.00 C ATOM 735 C VAL A 47 9.152 21.485 -8.565 1.00 0.00 C ATOM 736 O VAL A 47 8.563 20.561 -8.013 1.00 0.00 O ATOM 737 CB VAL A 47 8.530 23.823 -9.275 1.00 0.00 C ATOM 738 CG1 VAL A 47 7.125 23.466 -9.741 1.00 0.00 C ATOM 739 CG2 VAL A 47 8.623 25.295 -8.894 1.00 0.00 C ATOM 0 H VAL A 47 10.869 23.837 -8.264 1.00 0.00 H new ATOM 0 HA VAL A 47 8.239 23.010 -7.314 1.00 0.00 H new ATOM 0 HB VAL A 47 9.202 23.641 -10.113 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.838 24.119 -10.566 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.105 22.429 -10.075 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.424 23.595 -8.916 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.294 25.909 -9.732 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.987 25.488 -8.031 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.655 25.542 -8.646 1.00 0.00 H new ATOM 749 N GLU A 48 10.026 21.326 -9.526 1.00 0.00 N ATOM 750 CA GLU A 48 10.453 20.052 -10.060 1.00 0.00 C ATOM 751 C GLU A 48 11.944 20.137 -10.310 1.00 0.00 C ATOM 752 O GLU A 48 12.392 20.539 -11.384 1.00 0.00 O ATOM 753 CB GLU A 48 9.703 19.685 -11.347 1.00 0.00 C ATOM 754 CG GLU A 48 8.311 19.121 -11.127 1.00 0.00 C ATOM 755 CD GLU A 48 8.353 17.740 -10.509 1.00 0.00 C ATOM 756 OE1 GLU A 48 8.229 17.598 -9.272 1.00 0.00 O ATOM 757 OE2 GLU A 48 8.515 16.751 -11.259 1.00 0.00 O ATOM 0 H GLU A 48 10.482 22.117 -9.981 1.00 0.00 H new ATOM 0 HA GLU A 48 10.226 19.263 -9.343 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.626 20.574 -11.973 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.293 18.955 -11.901 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.746 19.791 -10.480 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.782 19.077 -12.079 1.00 0.00 H new ATOM 764 N ASN A 49 12.709 19.845 -9.293 1.00 0.00 N ATOM 765 CA ASN A 49 14.158 19.975 -9.360 1.00 0.00 C ATOM 766 C ASN A 49 14.790 18.641 -9.099 1.00 0.00 C ATOM 767 O ASN A 49 14.233 17.841 -8.339 1.00 0.00 O ATOM 768 CB ASN A 49 14.706 21.003 -8.335 1.00 0.00 C ATOM 769 CG ASN A 49 14.275 22.443 -8.574 1.00 0.00 C ATOM 770 OD1 ASN A 49 13.174 22.718 -9.031 1.00 0.00 O ATOM 771 ND2 ASN A 49 15.143 23.361 -8.289 1.00 0.00 N ATOM 0 H ASN A 49 12.358 19.511 -8.395 1.00 0.00 H new ATOM 0 HA ASN A 49 14.408 20.334 -10.358 1.00 0.00 H new ATOM 0 HB2 ASN A 49 14.385 20.705 -7.337 1.00 0.00 H new ATOM 0 HB3 ASN A 49 15.795 20.959 -8.346 1.00 0.00 H new ATOM 0 HD21 ASN A 49 14.916 24.343 -8.445 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.053 23.102 -7.909 1.00 0.00 H new ATOM 778 N PRO A 50 15.984 18.379 -9.676 1.00 0.00 N ATOM 779 CA PRO A 50 16.679 17.091 -9.529 1.00 0.00 C ATOM 780 C PRO A 50 17.038 16.780 -8.076 1.00 0.00 C ATOM 781 O PRO A 50 17.187 15.628 -7.705 1.00 0.00 O ATOM 782 CB PRO A 50 17.946 17.265 -10.373 1.00 0.00 C ATOM 783 CG PRO A 50 18.143 18.736 -10.443 1.00 0.00 C ATOM 784 CD PRO A 50 16.767 19.308 -10.531 1.00 0.00 C ATOM 0 HA PRO A 50 16.054 16.257 -9.847 1.00 0.00 H new ATOM 0 HB2 PRO A 50 18.801 16.771 -9.912 1.00 0.00 H new ATOM 0 HB3 PRO A 50 17.825 16.832 -11.366 1.00 0.00 H new ATOM 0 HG2 PRO A 50 18.668 19.106 -9.562 1.00 0.00 H new ATOM 0 HG3 PRO A 50 18.741 19.013 -11.311 1.00 0.00 H new ATOM 0 HD2 PRO A 50 16.728 20.332 -10.161 1.00 0.00 H new ATOM 0 HD3 PRO A 50 16.398 19.325 -11.557 1.00 0.00 H new ATOM 792 N LYS A 51 17.137 17.811 -7.249 1.00 0.00 N ATOM 793 CA LYS A 51 17.441 17.633 -5.830 1.00 0.00 C ATOM 794 C LYS A 51 16.338 16.897 -5.105 1.00 0.00 C ATOM 795 O LYS A 51 16.575 16.293 -4.078 1.00 0.00 O ATOM 796 CB LYS A 51 17.662 18.953 -5.141 1.00 0.00 C ATOM 797 CG LYS A 51 18.894 19.691 -5.594 1.00 0.00 C ATOM 798 CD LYS A 51 19.003 21.038 -4.913 1.00 0.00 C ATOM 799 CE LYS A 51 19.089 20.923 -3.389 1.00 0.00 C ATOM 800 NZ LYS A 51 19.173 22.246 -2.745 1.00 0.00 N ATOM 0 H LYS A 51 17.012 18.782 -7.534 1.00 0.00 H new ATOM 0 HA LYS A 51 18.356 17.041 -5.792 1.00 0.00 H new ATOM 0 HB2 LYS A 51 16.791 19.587 -5.308 1.00 0.00 H new ATOM 0 HB3 LYS A 51 17.730 18.782 -4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 51 19.780 19.096 -5.373 1.00 0.00 H new ATOM 0 HG3 LYS A 51 18.863 19.828 -6.675 1.00 0.00 H new ATOM 0 HD2 LYS A 51 19.886 21.558 -5.285 1.00 0.00 H new ATOM 0 HD3 LYS A 51 18.139 21.646 -5.179 1.00 0.00 H new ATOM 0 HE2 LYS A 51 18.214 20.391 -3.015 1.00 0.00 H new ATOM 0 HE3 LYS A 51 19.963 20.330 -3.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 19.230 22.127 -1.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 20.021 22.744 -3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 18.327 22.802 -2.983 1.00 0.00 H new ATOM 814 N GLN A 52 15.130 16.938 -5.648 1.00 0.00 N ATOM 815 CA GLN A 52 14.013 16.284 -5.007 1.00 0.00 C ATOM 816 C GLN A 52 14.159 14.783 -5.057 1.00 0.00 C ATOM 817 O GLN A 52 13.734 14.095 -4.150 1.00 0.00 O ATOM 818 CB GLN A 52 12.679 16.682 -5.611 1.00 0.00 C ATOM 819 CG GLN A 52 12.305 18.137 -5.447 1.00 0.00 C ATOM 820 CD GLN A 52 10.914 18.402 -5.965 1.00 0.00 C ATOM 821 OE1 GLN A 52 10.053 17.536 -5.919 1.00 0.00 O ATOM 822 NE2 GLN A 52 10.680 19.583 -6.448 1.00 0.00 N ATOM 0 H GLN A 52 14.905 17.414 -6.522 1.00 0.00 H new ATOM 0 HA GLN A 52 14.024 16.616 -3.969 1.00 0.00 H new ATOM 0 HB2 GLN A 52 12.695 16.446 -6.675 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.898 16.070 -5.161 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.363 18.414 -4.394 1.00 0.00 H new ATOM 0 HG3 GLN A 52 13.021 18.762 -5.981 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.423 20.281 -6.470 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.753 19.813 -6.805 1.00 0.00 H new ATOM 831 N GLN A 53 14.816 14.264 -6.084 1.00 0.00 N ATOM 832 CA GLN A 53 14.937 12.823 -6.206 1.00 0.00 C ATOM 833 C GLN A 53 16.032 12.258 -5.306 1.00 0.00 C ATOM 834 O GLN A 53 16.375 11.102 -5.423 1.00 0.00 O ATOM 835 CB GLN A 53 15.091 12.333 -7.665 1.00 0.00 C ATOM 836 CG GLN A 53 16.290 12.863 -8.408 1.00 0.00 C ATOM 837 CD GLN A 53 16.476 12.206 -9.755 1.00 0.00 C ATOM 838 OE1 GLN A 53 17.166 11.190 -9.874 1.00 0.00 O ATOM 839 NE2 GLN A 53 15.862 12.750 -10.770 1.00 0.00 N ATOM 0 H GLN A 53 15.262 14.804 -6.826 1.00 0.00 H new ATOM 0 HA GLN A 53 13.984 12.426 -5.856 1.00 0.00 H new ATOM 0 HB2 GLN A 53 15.142 11.244 -7.660 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.193 12.608 -8.218 1.00 0.00 H new ATOM 0 HG2 GLN A 53 16.182 13.939 -8.545 1.00 0.00 H new ATOM 0 HG3 GLN A 53 17.185 12.707 -7.805 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.300 13.590 -10.635 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.944 12.335 -11.698 1.00 0.00 H new ATOM 848 N GLN A 54 16.529 13.064 -4.371 1.00 0.00 N ATOM 849 CA GLN A 54 17.521 12.612 -3.406 1.00 0.00 C ATOM 850 C GLN A 54 16.921 11.462 -2.563 1.00 0.00 C ATOM 851 O GLN A 54 17.509 10.377 -2.428 1.00 0.00 O ATOM 852 CB GLN A 54 17.972 13.784 -2.501 1.00 0.00 C ATOM 853 CG GLN A 54 16.878 14.360 -1.593 1.00 0.00 C ATOM 854 CD GLN A 54 17.385 15.475 -0.710 1.00 0.00 C ATOM 855 OE1 GLN A 54 18.283 16.227 -1.082 1.00 0.00 O ATOM 856 NE2 GLN A 54 16.846 15.579 0.466 1.00 0.00 N ATOM 0 H GLN A 54 16.256 14.041 -4.263 1.00 0.00 H new ATOM 0 HA GLN A 54 18.401 12.245 -3.934 1.00 0.00 H new ATOM 0 HB2 GLN A 54 18.799 13.444 -1.878 1.00 0.00 H new ATOM 0 HB3 GLN A 54 18.357 14.584 -3.133 1.00 0.00 H new ATOM 0 HG2 GLN A 54 16.059 14.732 -2.208 1.00 0.00 H new ATOM 0 HG3 GLN A 54 16.472 13.564 -0.969 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.102 14.939 0.745 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.166 16.301 1.112 1.00 0.00 H new ATOM 865 N HIS A 55 15.701 11.679 -2.080 1.00 0.00 N ATOM 866 CA HIS A 55 15.003 10.694 -1.294 1.00 0.00 C ATOM 867 C HIS A 55 14.546 9.542 -2.165 1.00 0.00 C ATOM 868 O HIS A 55 14.356 8.435 -1.695 1.00 0.00 O ATOM 869 CB HIS A 55 13.854 11.315 -0.441 1.00 0.00 C ATOM 870 CG HIS A 55 12.894 12.246 -1.147 1.00 0.00 C ATOM 871 ND1 HIS A 55 12.452 13.446 -0.616 1.00 0.00 N ATOM 872 CD2 HIS A 55 12.248 12.107 -2.318 1.00 0.00 C ATOM 873 CE1 HIS A 55 11.564 13.972 -1.459 1.00 0.00 C ATOM 874 NE2 HIS A 55 11.399 13.195 -2.515 1.00 0.00 N ATOM 0 H HIS A 55 15.179 12.543 -2.228 1.00 0.00 H new ATOM 0 HA HIS A 55 15.705 10.287 -0.567 1.00 0.00 H new ATOM 0 HB2 HIS A 55 13.276 10.499 -0.008 1.00 0.00 H new ATOM 0 HB3 HIS A 55 14.306 11.860 0.388 1.00 0.00 H new ATOM 0 HD2 HIS A 55 12.368 11.279 -3.001 1.00 0.00 H new ATOM 0 HE1 HIS A 55 11.048 14.908 -1.300 1.00 0.00 H new ATOM 0 HE2 HIS A 55 10.780 13.357 -3.309 1.00 0.00 H new ATOM 882 N LEU A 56 14.460 9.805 -3.452 1.00 0.00 N ATOM 883 CA LEU A 56 14.104 8.801 -4.429 1.00 0.00 C ATOM 884 C LEU A 56 15.278 7.881 -4.615 1.00 0.00 C ATOM 885 O LEU A 56 15.104 6.685 -4.631 1.00 0.00 O ATOM 886 CB LEU A 56 13.631 9.457 -5.766 1.00 0.00 C ATOM 887 CG LEU A 56 13.305 8.547 -6.998 1.00 0.00 C ATOM 888 CD1 LEU A 56 14.556 8.032 -7.711 1.00 0.00 C ATOM 889 CD2 LEU A 56 12.419 7.387 -6.598 1.00 0.00 C ATOM 0 H LEU A 56 14.636 10.727 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 56 13.257 8.214 -4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.737 10.040 -5.545 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.403 10.161 -6.075 1.00 0.00 H new ATOM 0 HG LEU A 56 12.771 9.180 -7.707 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.263 7.408 -8.555 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.143 8.877 -8.071 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.155 7.444 -7.016 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.208 6.772 -7.473 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.926 6.785 -5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.483 7.768 -6.189 1.00 0.00 H new ATOM 901 N SER A 57 16.472 8.445 -4.721 1.00 0.00 N ATOM 902 CA SER A 57 17.690 7.668 -4.846 1.00 0.00 C ATOM 903 C SER A 57 17.825 6.697 -3.668 1.00 0.00 C ATOM 904 O SER A 57 18.287 5.577 -3.824 1.00 0.00 O ATOM 905 CB SER A 57 18.900 8.608 -4.935 1.00 0.00 C ATOM 906 OG SER A 57 18.749 9.512 -6.027 1.00 0.00 O ATOM 0 H SER A 57 16.621 9.454 -4.722 1.00 0.00 H new ATOM 0 HA SER A 57 17.648 7.077 -5.761 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.004 9.166 -4.005 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.813 8.025 -5.061 1.00 0.00 H new ATOM 0 HG SER A 57 18.041 10.158 -5.822 1.00 0.00 H new ATOM 912 N LEU A 58 17.375 7.122 -2.512 1.00 0.00 N ATOM 913 CA LEU A 58 17.416 6.282 -1.325 1.00 0.00 C ATOM 914 C LEU A 58 16.273 5.251 -1.344 1.00 0.00 C ATOM 915 O LEU A 58 16.495 4.056 -1.213 1.00 0.00 O ATOM 916 CB LEU A 58 17.316 7.172 -0.091 1.00 0.00 C ATOM 917 CG LEU A 58 18.315 8.338 -0.077 1.00 0.00 C ATOM 918 CD1 LEU A 58 18.092 9.226 1.122 1.00 0.00 C ATOM 919 CD2 LEU A 58 19.754 7.832 -0.101 1.00 0.00 C ATOM 0 H LEU A 58 16.973 8.047 -2.361 1.00 0.00 H new ATOM 0 HA LEU A 58 18.356 5.730 -1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 58 16.305 7.573 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.474 6.561 0.798 1.00 0.00 H new ATOM 0 HG LEU A 58 18.145 8.926 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.812 10.044 1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 58 17.081 9.632 1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 58 18.221 8.644 2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 58 20.438 8.680 -0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.935 7.209 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 58 19.918 7.245 -1.004 1.00 0.00 H new ATOM 931 N CYS A 59 15.073 5.738 -1.553 1.00 0.00 N ATOM 932 CA CYS A 59 13.841 4.942 -1.538 1.00 0.00 C ATOM 933 C CYS A 59 13.846 3.887 -2.671 1.00 0.00 C ATOM 934 O CYS A 59 13.625 2.712 -2.419 1.00 0.00 O ATOM 935 CB CYS A 59 12.690 5.921 -1.693 1.00 0.00 C ATOM 936 SG CYS A 59 11.030 5.359 -1.319 1.00 0.00 S ATOM 0 H CYS A 59 14.908 6.726 -1.745 1.00 0.00 H new ATOM 0 HA CYS A 59 13.747 4.384 -0.606 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.899 6.781 -1.057 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.695 6.277 -2.723 1.00 0.00 H new ATOM 941 N CYS A 60 14.149 4.320 -3.903 1.00 0.00 N ATOM 942 CA CYS A 60 14.251 3.436 -5.075 1.00 0.00 C ATOM 943 C CYS A 60 15.288 2.358 -4.837 1.00 0.00 C ATOM 944 O CYS A 60 15.072 1.205 -5.162 1.00 0.00 O ATOM 945 CB CYS A 60 14.580 4.266 -6.349 1.00 0.00 C ATOM 946 SG CYS A 60 15.056 3.341 -7.873 1.00 0.00 S ATOM 0 H CYS A 60 14.332 5.300 -4.117 1.00 0.00 H new ATOM 0 HA CYS A 60 13.290 2.945 -5.231 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.709 4.877 -6.586 1.00 0.00 H new ATOM 0 HB3 CYS A 60 15.393 4.950 -6.104 1.00 0.00 H new ATOM 951 N ASN A 61 16.374 2.724 -4.178 1.00 0.00 N ATOM 952 CA ASN A 61 17.459 1.773 -3.927 1.00 0.00 C ATOM 953 C ASN A 61 17.080 0.803 -2.827 1.00 0.00 C ATOM 954 O ASN A 61 17.572 -0.311 -2.762 1.00 0.00 O ATOM 955 CB ASN A 61 18.737 2.505 -3.571 1.00 0.00 C ATOM 956 CG ASN A 61 19.949 1.589 -3.406 1.00 0.00 C ATOM 957 OD1 ASN A 61 20.234 1.094 -2.310 1.00 0.00 O ATOM 958 ND2 ASN A 61 20.679 1.375 -4.481 1.00 0.00 N ATOM 0 H ASN A 61 16.533 3.661 -3.808 1.00 0.00 H new ATOM 0 HA ASN A 61 17.630 1.204 -4.841 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.952 3.239 -4.347 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.582 3.057 -2.644 1.00 0.00 H new ATOM 0 HD21 ASN A 61 21.509 0.785 -4.425 1.00 0.00 H new ATOM 0 HD22 ASN A 61 20.414 1.800 -5.370 1.00 0.00 H new ATOM 965 N GLN A 62 16.194 1.225 -1.985 1.00 0.00 N ATOM 966 CA GLN A 62 15.752 0.408 -0.903 1.00 0.00 C ATOM 967 C GLN A 62 14.653 -0.562 -1.350 1.00 0.00 C ATOM 968 O GLN A 62 14.691 -1.754 -1.022 1.00 0.00 O ATOM 969 CB GLN A 62 15.313 1.294 0.261 1.00 0.00 C ATOM 970 CG GLN A 62 14.853 0.545 1.486 1.00 0.00 C ATOM 971 CD GLN A 62 15.917 -0.340 2.126 1.00 0.00 C ATOM 972 OE1 GLN A 62 15.603 -1.369 2.723 1.00 0.00 O ATOM 973 NE2 GLN A 62 17.155 0.047 2.031 1.00 0.00 N ATOM 0 H GLN A 62 15.756 2.145 -2.028 1.00 0.00 H new ATOM 0 HA GLN A 62 16.580 -0.212 -0.559 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.144 1.942 0.539 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.504 1.941 -0.078 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.505 1.265 2.226 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.998 -0.075 1.217 1.00 0.00 H new ATOM 0 HE21 GLN A 62 17.384 0.905 1.529 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.897 -0.508 2.458 1.00 0.00 H new ATOM 982 N LEU A 63 13.723 -0.068 -2.136 1.00 0.00 N ATOM 983 CA LEU A 63 12.608 -0.877 -2.614 1.00 0.00 C ATOM 984 C LEU A 63 13.098 -1.937 -3.604 1.00 0.00 C ATOM 985 O LEU A 63 12.518 -2.999 -3.741 1.00 0.00 O ATOM 986 CB LEU A 63 11.539 0.043 -3.255 1.00 0.00 C ATOM 987 CG LEU A 63 11.900 0.723 -4.578 1.00 0.00 C ATOM 988 CD1 LEU A 63 11.676 -0.182 -5.757 1.00 0.00 C ATOM 989 CD2 LEU A 63 11.152 2.007 -4.749 1.00 0.00 C ATOM 0 H LEU A 63 13.711 0.898 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 63 12.155 -1.401 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.637 -0.548 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.287 0.821 -2.534 1.00 0.00 H new ATOM 0 HG LEU A 63 12.965 0.949 -4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.945 0.342 -6.674 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.294 -1.074 -5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.626 -0.471 -5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.430 2.466 -5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.080 1.808 -4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.400 2.684 -3.932 1.00 0.00 H new ATOM 1001 N GLN A 64 14.186 -1.628 -4.292 1.00 0.00 N ATOM 1002 CA GLN A 64 14.740 -2.513 -5.308 1.00 0.00 C ATOM 1003 C GLN A 64 15.474 -3.691 -4.675 1.00 0.00 C ATOM 1004 O GLN A 64 15.922 -4.616 -5.370 1.00 0.00 O ATOM 1005 CB GLN A 64 15.661 -1.744 -6.245 1.00 0.00 C ATOM 1006 CG GLN A 64 16.942 -1.308 -5.603 1.00 0.00 C ATOM 1007 CD GLN A 64 17.878 -0.596 -6.555 1.00 0.00 C ATOM 1008 OE1 GLN A 64 17.455 0.063 -7.516 1.00 0.00 O ATOM 1009 NE2 GLN A 64 19.146 -0.686 -6.292 1.00 0.00 N ATOM 0 H GLN A 64 14.709 -0.761 -4.164 1.00 0.00 H new ATOM 0 HA GLN A 64 13.911 -2.913 -5.892 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.891 -2.369 -7.108 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.134 -0.866 -6.619 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.714 -0.647 -4.767 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.449 -2.181 -5.191 1.00 0.00 H new ATOM 0 HE21 GLN A 64 19.464 -1.236 -5.494 1.00 0.00 H new ATOM 0 HE22 GLN A 64 19.825 -0.207 -6.884 1.00 0.00 H new ATOM 1018 N GLU A 65 15.611 -3.648 -3.365 1.00 0.00 N ATOM 1019 CA GLU A 65 16.209 -4.729 -2.625 1.00 0.00 C ATOM 1020 C GLU A 65 15.144 -5.791 -2.340 1.00 0.00 C ATOM 1021 O GLU A 65 15.436 -6.890 -1.881 1.00 0.00 O ATOM 1022 CB GLU A 65 16.821 -4.213 -1.322 1.00 0.00 C ATOM 1023 CG GLU A 65 18.005 -3.277 -1.520 1.00 0.00 C ATOM 1024 CD GLU A 65 19.207 -3.974 -2.120 1.00 0.00 C ATOM 1025 OE1 GLU A 65 20.017 -4.548 -1.350 1.00 0.00 O ATOM 1026 OE2 GLU A 65 19.373 -3.973 -3.360 1.00 0.00 O ATOM 0 H GLU A 65 15.310 -2.862 -2.789 1.00 0.00 H new ATOM 0 HA GLU A 65 17.010 -5.173 -3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.051 -3.692 -0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.141 -5.064 -0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.707 -2.453 -2.168 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.284 -2.843 -0.560 1.00 0.00 H new ATOM 1033 N VAL A 66 13.910 -5.417 -2.588 1.00 0.00 N ATOM 1034 CA VAL A 66 12.744 -6.297 -2.443 1.00 0.00 C ATOM 1035 C VAL A 66 12.509 -7.042 -3.788 1.00 0.00 C ATOM 1036 O VAL A 66 13.139 -6.694 -4.799 1.00 0.00 O ATOM 1037 CB VAL A 66 11.473 -5.454 -2.078 1.00 0.00 C ATOM 1038 CG1 VAL A 66 10.303 -6.324 -1.644 1.00 0.00 C ATOM 1039 CG2 VAL A 66 11.794 -4.440 -1.006 1.00 0.00 C ATOM 0 H VAL A 66 13.670 -4.477 -2.903 1.00 0.00 H new ATOM 0 HA VAL A 66 12.927 -7.016 -1.644 1.00 0.00 H new ATOM 0 HB VAL A 66 11.171 -4.932 -2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.449 -5.691 -1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.034 -7.003 -2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.586 -6.902 -0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.898 -3.866 -0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.144 -4.955 -0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.572 -3.766 -1.364 1.00 0.00 H new ATOM 1049 N GLU A 67 11.695 -8.121 -3.762 1.00 0.00 N ATOM 1050 CA GLU A 67 11.255 -8.852 -4.983 1.00 0.00 C ATOM 1051 C GLU A 67 10.781 -7.885 -6.057 1.00 0.00 C ATOM 1052 O GLU A 67 10.125 -6.894 -5.745 1.00 0.00 O ATOM 1053 CB GLU A 67 10.085 -9.777 -4.656 1.00 0.00 C ATOM 1054 CG GLU A 67 10.437 -11.061 -3.958 1.00 0.00 C ATOM 1055 CD GLU A 67 9.197 -11.837 -3.544 1.00 0.00 C ATOM 1056 OE1 GLU A 67 8.519 -12.449 -4.410 1.00 0.00 O ATOM 1057 OE2 GLU A 67 8.876 -11.857 -2.337 1.00 0.00 O ATOM 0 H GLU A 67 11.322 -8.513 -2.897 1.00 0.00 H new ATOM 0 HA GLU A 67 12.112 -9.422 -5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.378 -9.230 -4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.569 -10.021 -5.585 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.048 -11.677 -4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.040 -10.842 -3.077 1.00 0.00 H new ATOM 1064 N LYS A 68 11.042 -8.209 -7.310 1.00 0.00 N ATOM 1065 CA LYS A 68 10.705 -7.320 -8.421 1.00 0.00 C ATOM 1066 C LYS A 68 9.214 -7.028 -8.552 1.00 0.00 C ATOM 1067 O LYS A 68 8.821 -5.913 -8.917 1.00 0.00 O ATOM 1068 CB LYS A 68 11.307 -7.786 -9.736 1.00 0.00 C ATOM 1069 CG LYS A 68 10.960 -9.181 -10.159 1.00 0.00 C ATOM 1070 CD LYS A 68 11.682 -9.580 -11.436 1.00 0.00 C ATOM 1071 CE LYS A 68 13.186 -9.861 -11.235 1.00 0.00 C ATOM 1072 NZ LYS A 68 14.006 -8.662 -10.922 1.00 0.00 N ATOM 0 H LYS A 68 11.488 -9.083 -7.591 1.00 0.00 H new ATOM 0 HA LYS A 68 11.168 -6.366 -8.168 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.990 -7.100 -10.521 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.392 -7.709 -9.664 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.220 -9.878 -9.362 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.883 -9.257 -10.311 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.207 -10.470 -11.849 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.565 -8.785 -12.173 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.302 -10.584 -10.428 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.579 -10.327 -12.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.944 -8.759 -11.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.535 -7.813 -11.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.113 -8.574 -9.891 1.00 0.00 H new ATOM 1086 N GLN A 69 8.389 -7.998 -8.215 1.00 0.00 N ATOM 1087 CA GLN A 69 6.935 -7.810 -8.258 1.00 0.00 C ATOM 1088 C GLN A 69 6.480 -6.960 -7.064 1.00 0.00 C ATOM 1089 O GLN A 69 5.472 -6.258 -7.116 1.00 0.00 O ATOM 1090 CB GLN A 69 6.205 -9.162 -8.220 1.00 0.00 C ATOM 1091 CG GLN A 69 6.489 -9.975 -6.962 1.00 0.00 C ATOM 1092 CD GLN A 69 5.682 -11.242 -6.857 1.00 0.00 C ATOM 1093 OE1 GLN A 69 4.541 -11.327 -7.346 1.00 0.00 O ATOM 1094 NE2 GLN A 69 6.230 -12.222 -6.201 1.00 0.00 N ATOM 0 H GLN A 69 8.688 -8.924 -7.908 1.00 0.00 H new ATOM 0 HA GLN A 69 6.689 -7.301 -9.190 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.132 -8.988 -8.295 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.495 -9.746 -9.093 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.549 -10.228 -6.937 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.289 -9.355 -6.088 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.168 -12.115 -5.814 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.722 -13.097 -6.073 1.00 0.00 H new ATOM 1103 N CYS A 70 7.267 -6.998 -6.020 1.00 0.00 N ATOM 1104 CA CYS A 70 6.940 -6.368 -4.779 1.00 0.00 C ATOM 1105 C CYS A 70 7.541 -4.973 -4.698 1.00 0.00 C ATOM 1106 O CYS A 70 7.166 -4.193 -3.842 1.00 0.00 O ATOM 1107 CB CYS A 70 7.416 -7.237 -3.625 1.00 0.00 C ATOM 1108 SG CYS A 70 6.769 -8.952 -3.663 1.00 0.00 S ATOM 0 H CYS A 70 8.167 -7.477 -6.014 1.00 0.00 H new ATOM 0 HA CYS A 70 5.857 -6.258 -4.714 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.505 -7.271 -3.635 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.120 -6.769 -2.686 1.00 0.00 H new ATOM 1113 N GLN A 71 8.469 -4.669 -5.603 1.00 0.00 N ATOM 1114 CA GLN A 71 9.068 -3.334 -5.716 1.00 0.00 C ATOM 1115 C GLN A 71 7.994 -2.298 -5.932 1.00 0.00 C ATOM 1116 O GLN A 71 7.997 -1.249 -5.316 1.00 0.00 O ATOM 1117 CB GLN A 71 10.024 -3.282 -6.889 1.00 0.00 C ATOM 1118 CG GLN A 71 11.320 -4.023 -6.692 1.00 0.00 C ATOM 1119 CD GLN A 71 12.202 -3.910 -7.912 1.00 0.00 C ATOM 1120 OE1 GLN A 71 12.149 -4.726 -8.813 1.00 0.00 O ATOM 1121 NE2 GLN A 71 12.981 -2.884 -7.968 1.00 0.00 N ATOM 0 H GLN A 71 8.830 -5.340 -6.281 1.00 0.00 H new ATOM 0 HA GLN A 71 9.606 -3.127 -4.791 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.521 -3.689 -7.766 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.250 -2.238 -7.107 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.843 -3.623 -5.823 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.114 -5.073 -6.484 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.003 -2.217 -7.196 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.575 -2.739 -8.784 1.00 0.00 H new ATOM 1130 N CYS A 72 7.059 -2.611 -6.798 1.00 0.00 N ATOM 1131 CA CYS A 72 5.976 -1.706 -7.056 1.00 0.00 C ATOM 1132 C CYS A 72 4.924 -1.792 -5.989 1.00 0.00 C ATOM 1133 O CYS A 72 4.194 -0.848 -5.746 1.00 0.00 O ATOM 1134 CB CYS A 72 5.417 -1.877 -8.442 1.00 0.00 C ATOM 1135 SG CYS A 72 4.996 -3.576 -8.939 1.00 0.00 S ATOM 0 H CYS A 72 7.030 -3.481 -7.330 1.00 0.00 H new ATOM 0 HA CYS A 72 6.377 -0.693 -7.017 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.520 -1.264 -8.527 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.142 -1.482 -9.154 1.00 0.00 H new ATOM 1140 N GLU A 73 4.876 -2.914 -5.323 1.00 0.00 N ATOM 1141 CA GLU A 73 3.962 -3.082 -4.223 1.00 0.00 C ATOM 1142 C GLU A 73 4.381 -2.205 -3.051 1.00 0.00 C ATOM 1143 O GLU A 73 3.546 -1.690 -2.310 1.00 0.00 O ATOM 1144 CB GLU A 73 3.863 -4.534 -3.792 1.00 0.00 C ATOM 1145 CG GLU A 73 3.185 -5.410 -4.800 1.00 0.00 C ATOM 1146 CD GLU A 73 1.783 -4.924 -5.062 1.00 0.00 C ATOM 1147 OE1 GLU A 73 0.895 -5.131 -4.203 1.00 0.00 O ATOM 1148 OE2 GLU A 73 1.547 -4.313 -6.118 1.00 0.00 O ATOM 0 H GLU A 73 5.459 -3.727 -5.522 1.00 0.00 H new ATOM 0 HA GLU A 73 2.973 -2.773 -4.562 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.865 -4.918 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.318 -4.589 -2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.755 -5.414 -5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.158 -6.438 -4.438 1.00 0.00 H new ATOM 1155 N ALA A 74 5.684 -2.006 -2.923 1.00 0.00 N ATOM 1156 CA ALA A 74 6.270 -1.163 -1.899 1.00 0.00 C ATOM 1157 C ALA A 74 5.802 0.268 -2.069 1.00 0.00 C ATOM 1158 O ALA A 74 5.672 1.013 -1.111 1.00 0.00 O ATOM 1159 CB ALA A 74 7.782 -1.237 -1.985 1.00 0.00 C ATOM 0 H ALA A 74 6.374 -2.435 -3.540 1.00 0.00 H new ATOM 0 HA ALA A 74 5.951 -1.515 -0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.222 -0.603 -1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.105 -2.267 -1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.108 -0.894 -2.967 1.00 0.00 H new ATOM 1165 N ILE A 75 5.458 0.602 -3.291 1.00 0.00 N ATOM 1166 CA ILE A 75 5.023 1.924 -3.645 1.00 0.00 C ATOM 1167 C ILE A 75 3.635 2.157 -3.099 1.00 0.00 C ATOM 1168 O ILE A 75 3.294 3.257 -2.658 1.00 0.00 O ATOM 1169 CB ILE A 75 4.980 2.079 -5.174 1.00 0.00 C ATOM 1170 CG1 ILE A 75 6.332 1.699 -5.798 1.00 0.00 C ATOM 1171 CG2 ILE A 75 4.536 3.463 -5.582 1.00 0.00 C ATOM 1172 CD1 ILE A 75 7.528 2.377 -5.190 1.00 0.00 C ATOM 0 H ILE A 75 5.474 -0.050 -4.075 1.00 0.00 H new ATOM 0 HA ILE A 75 5.723 2.647 -3.225 1.00 0.00 H new ATOM 0 HB ILE A 75 4.233 1.386 -5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.463 0.620 -5.713 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.302 1.934 -6.862 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.518 3.534 -6.670 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.537 3.655 -5.190 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.231 4.201 -5.182 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.433 2.043 -5.698 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.428 3.457 -5.298 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.592 2.123 -4.132 1.00 0.00 H new ATOM 1184 N LYS A 76 2.870 1.084 -3.022 1.00 0.00 N ATOM 1185 CA LYS A 76 1.494 1.176 -2.614 1.00 0.00 C ATOM 1186 C LYS A 76 1.498 1.451 -1.152 1.00 0.00 C ATOM 1187 O LYS A 76 0.797 2.334 -0.646 1.00 0.00 O ATOM 1188 CB LYS A 76 0.782 -0.144 -2.910 1.00 0.00 C ATOM 1189 CG LYS A 76 0.800 -0.546 -4.387 1.00 0.00 C ATOM 1190 CD LYS A 76 0.039 0.449 -5.259 1.00 0.00 C ATOM 1191 CE LYS A 76 -1.448 0.472 -4.898 1.00 0.00 C ATOM 1192 NZ LYS A 76 -2.221 1.446 -5.691 1.00 0.00 N ATOM 0 H LYS A 76 3.186 0.139 -3.239 1.00 0.00 H new ATOM 0 HA LYS A 76 0.969 1.966 -3.151 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.248 -0.936 -2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.253 -0.069 -2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.832 -0.615 -4.732 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.360 -1.537 -4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.462 1.446 -5.134 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.158 0.182 -6.309 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.867 -0.523 -5.047 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.555 0.708 -3.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.219 1.415 -5.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.843 2.402 -5.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.146 1.209 -6.701 1.00 0.00 H new ATOM 1206 N GLN A 77 2.399 0.761 -0.525 1.00 0.00 N ATOM 1207 CA GLN A 77 2.659 0.807 0.880 1.00 0.00 C ATOM 1208 C GLN A 77 2.994 2.189 1.313 1.00 0.00 C ATOM 1209 O GLN A 77 2.521 2.623 2.349 1.00 0.00 O ATOM 1210 CB GLN A 77 3.821 -0.077 1.162 1.00 0.00 C ATOM 1211 CG GLN A 77 3.534 -1.514 0.833 1.00 0.00 C ATOM 1212 CD GLN A 77 2.792 -2.204 1.952 1.00 0.00 C ATOM 1213 OE1 GLN A 77 2.932 -1.842 3.122 1.00 0.00 O ATOM 1214 NE2 GLN A 77 2.007 -3.192 1.632 1.00 0.00 N ATOM 0 H GLN A 77 3.012 0.108 -1.013 1.00 0.00 H new ATOM 0 HA GLN A 77 1.771 0.481 1.421 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.681 0.261 0.584 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.091 0.006 2.215 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.944 -1.567 -0.082 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.470 -2.037 0.640 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.910 -3.471 0.656 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.489 -3.687 2.358 1.00 0.00 H new ATOM 1223 N VAL A 78 3.815 2.889 0.516 1.00 0.00 N ATOM 1224 CA VAL A 78 4.208 4.244 0.858 1.00 0.00 C ATOM 1225 C VAL A 78 2.976 5.104 0.976 1.00 0.00 C ATOM 1226 O VAL A 78 2.797 5.802 1.953 1.00 0.00 O ATOM 1227 CB VAL A 78 5.126 4.937 -0.181 1.00 0.00 C ATOM 1228 CG1 VAL A 78 5.610 6.266 0.363 1.00 0.00 C ATOM 1229 CG2 VAL A 78 6.290 4.077 -0.595 1.00 0.00 C ATOM 0 H VAL A 78 4.210 2.536 -0.356 1.00 0.00 H new ATOM 0 HA VAL A 78 4.766 4.149 1.789 1.00 0.00 H new ATOM 0 HB VAL A 78 4.531 5.105 -1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.255 6.747 -0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.754 6.908 0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.170 6.100 1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.898 4.614 -1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.896 3.840 0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.920 3.154 -1.041 1.00 0.00 H new ATOM 1239 N VAL A 79 2.093 4.980 -0.001 1.00 0.00 N ATOM 1240 CA VAL A 79 0.917 5.822 -0.063 1.00 0.00 C ATOM 1241 C VAL A 79 -0.011 5.447 1.069 1.00 0.00 C ATOM 1242 O VAL A 79 -0.539 6.300 1.769 1.00 0.00 O ATOM 1243 CB VAL A 79 0.162 5.649 -1.401 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -0.938 6.692 -1.541 1.00 0.00 C ATOM 1245 CG2 VAL A 79 1.119 5.687 -2.584 1.00 0.00 C ATOM 0 H VAL A 79 2.171 4.304 -0.760 1.00 0.00 H new ATOM 0 HA VAL A 79 1.237 6.861 0.018 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.310 4.666 -1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.455 6.550 -2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.648 6.584 -0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.499 7.689 -1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.558 5.563 -3.510 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.639 6.645 -2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.846 4.881 -2.490 1.00 0.00 H new ATOM 1255 N GLU A 80 -0.131 4.157 1.267 1.00 0.00 N ATOM 1256 CA GLU A 80 -0.987 3.575 2.262 1.00 0.00 C ATOM 1257 C GLU A 80 -0.627 4.056 3.668 1.00 0.00 C ATOM 1258 O GLU A 80 -1.502 4.497 4.410 1.00 0.00 O ATOM 1259 CB GLU A 80 -0.917 2.056 2.153 1.00 0.00 C ATOM 1260 CG GLU A 80 -1.821 1.321 3.100 1.00 0.00 C ATOM 1261 CD GLU A 80 -1.921 -0.138 2.783 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -2.839 -0.510 2.050 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -1.100 -0.936 3.257 1.00 0.00 O ATOM 0 H GLU A 80 0.382 3.465 0.721 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.012 3.898 2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.168 1.766 1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.110 1.739 2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.452 1.443 4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.816 1.766 3.066 1.00 0.00 H new ATOM 1270 N GLN A 81 0.646 4.008 4.005 1.00 0.00 N ATOM 1271 CA GLN A 81 1.110 4.422 5.326 1.00 0.00 C ATOM 1272 C GLN A 81 1.141 5.946 5.454 1.00 0.00 C ATOM 1273 O GLN A 81 0.791 6.495 6.502 1.00 0.00 O ATOM 1274 CB GLN A 81 2.479 3.786 5.649 1.00 0.00 C ATOM 1275 CG GLN A 81 3.600 4.158 4.697 1.00 0.00 C ATOM 1276 CD GLN A 81 4.810 3.271 4.850 1.00 0.00 C ATOM 1277 OE1 GLN A 81 5.721 3.550 5.616 1.00 0.00 O ATOM 1278 NE2 GLN A 81 4.816 2.187 4.134 1.00 0.00 N ATOM 0 H GLN A 81 1.386 3.685 3.382 1.00 0.00 H new ATOM 0 HA GLN A 81 0.397 4.058 6.066 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.769 4.077 6.659 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.368 2.702 5.649 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.236 4.096 3.671 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.890 5.194 4.870 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.038 1.987 3.505 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.599 1.536 4.201 1.00 0.00 H new ATOM 1287 N ALA A 82 1.479 6.620 4.375 1.00 0.00 N ATOM 1288 CA ALA A 82 1.582 8.067 4.378 1.00 0.00 C ATOM 1289 C ALA A 82 0.220 8.726 4.503 1.00 0.00 C ATOM 1290 O ALA A 82 0.072 9.752 5.170 1.00 0.00 O ATOM 1291 CB ALA A 82 2.294 8.553 3.131 1.00 0.00 C ATOM 0 H ALA A 82 1.689 6.186 3.476 1.00 0.00 H new ATOM 0 HA ALA A 82 2.168 8.353 5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.362 9.641 3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.297 8.128 3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.736 8.241 2.248 1.00 0.00 H new ATOM 1297 N GLN A 83 -0.782 8.140 3.900 1.00 0.00 N ATOM 1298 CA GLN A 83 -2.086 8.735 3.988 1.00 0.00 C ATOM 1299 C GLN A 83 -2.726 8.415 5.319 1.00 0.00 C ATOM 1300 O GLN A 83 -3.375 9.259 5.903 1.00 0.00 O ATOM 1301 CB GLN A 83 -3.009 8.349 2.828 1.00 0.00 C ATOM 1302 CG GLN A 83 -3.402 6.886 2.766 1.00 0.00 C ATOM 1303 CD GLN A 83 -4.393 6.622 1.670 1.00 0.00 C ATOM 1304 OE1 GLN A 83 -5.194 7.491 1.319 1.00 0.00 O ATOM 1305 NE2 GLN A 83 -4.373 5.450 1.134 1.00 0.00 N ATOM 0 H GLN A 83 -0.724 7.277 3.359 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.941 9.813 3.912 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.917 8.949 2.894 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.518 8.615 1.892 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.512 6.277 2.606 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -3.828 6.583 3.722 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -3.696 4.756 1.450 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.035 5.216 0.394 1.00 0.00 H new ATOM 1314 N LYS A 84 -2.475 7.214 5.835 1.00 0.00 N ATOM 1315 CA LYS A 84 -3.095 6.796 7.085 1.00 0.00 C ATOM 1316 C LYS A 84 -2.543 7.578 8.254 1.00 0.00 C ATOM 1317 O LYS A 84 -3.252 7.827 9.238 1.00 0.00 O ATOM 1318 CB LYS A 84 -2.988 5.261 7.299 1.00 0.00 C ATOM 1319 CG LYS A 84 -1.578 4.681 7.464 1.00 0.00 C ATOM 1320 CD LYS A 84 -1.052 4.792 8.872 1.00 0.00 C ATOM 1321 CE LYS A 84 0.335 4.192 8.993 1.00 0.00 C ATOM 1322 NZ LYS A 84 0.818 4.196 10.382 1.00 0.00 N ATOM 0 H LYS A 84 -1.855 6.523 5.412 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.159 7.023 7.019 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.568 5.001 8.184 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.461 4.766 6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.587 3.632 7.168 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.898 5.198 6.787 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.024 5.840 9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.731 4.284 9.557 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.321 3.169 8.617 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.029 4.753 8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.769 3.777 10.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.856 5.174 10.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.171 3.639 10.976 1.00 0.00 H new ATOM 1336 N GLN A 85 -1.288 7.991 8.142 1.00 0.00 N ATOM 1337 CA GLN A 85 -0.666 8.730 9.202 1.00 0.00 C ATOM 1338 C GLN A 85 -1.266 10.136 9.269 1.00 0.00 C ATOM 1339 O GLN A 85 -1.523 10.669 10.348 1.00 0.00 O ATOM 1340 CB GLN A 85 0.867 8.772 9.054 1.00 0.00 C ATOM 1341 CG GLN A 85 1.401 9.675 7.967 1.00 0.00 C ATOM 1342 CD GLN A 85 2.840 10.065 8.194 1.00 0.00 C ATOM 1343 OE1 GLN A 85 3.766 9.410 7.752 1.00 0.00 O ATOM 1344 NE2 GLN A 85 3.036 11.129 8.917 1.00 0.00 N ATOM 0 H GLN A 85 -0.695 7.823 7.330 1.00 0.00 H new ATOM 0 HA GLN A 85 -0.867 8.218 10.143 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.296 9.088 10.005 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.222 7.759 8.865 1.00 0.00 H new ATOM 0 HG2 GLN A 85 1.312 9.171 7.005 1.00 0.00 H new ATOM 0 HG3 GLN A 85 0.788 10.575 7.913 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.240 11.657 9.273 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.986 11.435 9.127 1.00 0.00 H new ATOM 1353 N LEU A 86 -1.543 10.697 8.112 1.00 0.00 N ATOM 1354 CA LEU A 86 -2.126 12.008 8.022 1.00 0.00 C ATOM 1355 C LEU A 86 -3.619 11.973 8.301 1.00 0.00 C ATOM 1356 O LEU A 86 -4.156 12.890 8.938 1.00 0.00 O ATOM 1357 CB LEU A 86 -1.781 12.677 6.677 1.00 0.00 C ATOM 1358 CG LEU A 86 -0.653 13.713 6.714 1.00 0.00 C ATOM 1359 CD1 LEU A 86 -1.068 14.897 7.560 1.00 0.00 C ATOM 1360 CD2 LEU A 86 0.633 13.115 7.250 1.00 0.00 C ATOM 0 H LEU A 86 -1.369 10.253 7.210 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.687 12.631 8.801 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.509 11.898 5.965 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.679 13.160 6.293 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.466 14.044 5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.261 15.629 7.582 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.961 15.354 7.134 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.281 14.562 8.575 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.412 13.878 7.262 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.469 12.748 8.263 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.944 12.289 6.611 1.00 0.00 H new ATOM 1372 N GLN A 87 -4.271 10.899 7.872 1.00 0.00 N ATOM 1373 CA GLN A 87 -5.697 10.686 8.098 1.00 0.00 C ATOM 1374 C GLN A 87 -6.035 10.692 9.583 1.00 0.00 C ATOM 1375 O GLN A 87 -7.008 11.329 10.002 1.00 0.00 O ATOM 1376 CB GLN A 87 -6.152 9.362 7.451 1.00 0.00 C ATOM 1377 CG GLN A 87 -7.591 8.954 7.769 1.00 0.00 C ATOM 1378 CD GLN A 87 -8.632 9.984 7.362 1.00 0.00 C ATOM 1379 OE1 GLN A 87 -8.399 10.683 6.285 1.00 0.00 O flip ATOM 1380 NE2 GLN A 87 -9.667 10.113 8.017 1.00 0.00 N flip ATOM 0 H GLN A 87 -3.822 10.145 7.353 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.233 11.512 7.631 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.044 9.446 6.370 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.483 8.566 7.777 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.810 8.013 7.265 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.677 8.770 8.840 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.815 9.549 8.854 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.377 10.784 7.722 1.00 0.00 H new ATOM 1389 N GLN A 88 -5.216 10.030 10.378 1.00 0.00 N ATOM 1390 CA GLN A 88 -5.472 9.953 11.811 1.00 0.00 C ATOM 1391 C GLN A 88 -4.972 11.216 12.502 1.00 0.00 C ATOM 1392 O GLN A 88 -5.327 11.503 13.645 1.00 0.00 O ATOM 1393 CB GLN A 88 -4.837 8.696 12.435 1.00 0.00 C ATOM 1394 CG GLN A 88 -3.315 8.673 12.431 1.00 0.00 C ATOM 1395 CD GLN A 88 -2.741 7.402 13.029 1.00 0.00 C ATOM 1396 OE1 GLN A 88 -3.344 6.767 13.889 1.00 0.00 O ATOM 1397 NE2 GLN A 88 -1.575 7.031 12.601 1.00 0.00 N ATOM 0 H GLN A 88 -4.377 9.542 10.065 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.549 9.876 11.957 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.184 8.605 13.464 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.200 7.820 11.898 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.958 8.780 11.407 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.942 9.532 12.990 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.097 7.578 11.885 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.136 6.192 12.980 1.00 0.00 H new ATOM 1406 N GLY A 89 -4.168 11.973 11.785 1.00 0.00 N ATOM 1407 CA GLY A 89 -3.611 13.178 12.312 1.00 0.00 C ATOM 1408 C GLY A 89 -4.545 14.357 12.156 1.00 0.00 C ATOM 1409 O GLY A 89 -5.370 14.626 13.030 1.00 0.00 O ATOM 0 H GLY A 89 -3.890 11.763 10.826 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.380 13.038 13.368 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.670 13.393 11.805 1.00 0.00 H new ATOM 1413 N GLN A 90 -4.453 15.043 11.039 1.00 0.00 N ATOM 1414 CA GLN A 90 -5.243 16.265 10.828 1.00 0.00 C ATOM 1415 C GLN A 90 -6.059 16.199 9.541 1.00 0.00 C ATOM 1416 O GLN A 90 -7.043 16.922 9.369 1.00 0.00 O ATOM 1417 CB GLN A 90 -4.306 17.482 10.769 1.00 0.00 C ATOM 1418 CG GLN A 90 -3.469 17.676 12.024 1.00 0.00 C ATOM 1419 CD GLN A 90 -2.455 18.814 11.929 1.00 0.00 C ATOM 1420 OE1 GLN A 90 -1.400 18.766 12.557 1.00 0.00 O ATOM 1421 NE2 GLN A 90 -2.744 19.829 11.160 1.00 0.00 N ATOM 0 H GLN A 90 -3.847 14.789 10.259 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.936 16.359 11.664 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.640 17.374 9.913 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.902 18.379 10.599 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.135 17.867 12.866 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -2.939 16.749 12.241 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -3.626 19.846 10.648 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.087 20.605 11.071 1.00 0.00 H new ATOM 1430 N GLY A 91 -5.679 15.313 8.675 1.00 0.00 N ATOM 1431 CA GLY A 91 -6.233 15.258 7.351 1.00 0.00 C ATOM 1432 C GLY A 91 -5.093 15.268 6.413 1.00 0.00 C ATOM 1433 O GLY A 91 -4.438 14.254 6.266 1.00 0.00 O ATOM 0 H GLY A 91 -4.972 14.602 8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.834 14.358 7.220 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.890 16.109 7.171 1.00 0.00 H new ATOM 1437 N GLY A 92 -4.835 16.390 5.769 1.00 0.00 N ATOM 1438 CA GLY A 92 -3.626 16.545 5.006 1.00 0.00 C ATOM 1439 C GLY A 92 -3.594 15.828 3.686 1.00 0.00 C ATOM 1440 O GLY A 92 -2.993 16.321 2.777 1.00 0.00 O ATOM 0 H GLY A 92 -5.450 17.203 5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.465 17.608 4.826 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.789 16.194 5.610 1.00 0.00 H new ATOM 1444 N GLN A 93 -4.251 14.686 3.583 1.00 0.00 N ATOM 1445 CA GLN A 93 -4.281 13.847 2.373 1.00 0.00 C ATOM 1446 C GLN A 93 -4.569 14.661 1.109 1.00 0.00 C ATOM 1447 O GLN A 93 -4.034 14.370 0.044 1.00 0.00 O ATOM 1448 CB GLN A 93 -5.330 12.760 2.523 1.00 0.00 C ATOM 1449 CG GLN A 93 -5.089 11.783 3.657 1.00 0.00 C ATOM 1450 CD GLN A 93 -6.176 10.722 3.743 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -5.940 9.608 4.180 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -7.374 11.056 3.325 1.00 0.00 N ATOM 0 H GLN A 93 -4.796 14.297 4.352 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.292 13.403 2.264 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.301 13.232 2.672 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.387 12.201 1.589 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.122 11.299 3.518 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.040 12.328 4.600 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.545 11.995 2.964 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.134 10.377 3.361 1.00 0.00 H new ATOM 1461 N GLN A 94 -5.388 15.687 1.258 1.00 0.00 N ATOM 1462 CA GLN A 94 -5.738 16.591 0.171 1.00 0.00 C ATOM 1463 C GLN A 94 -4.531 17.458 -0.257 1.00 0.00 C ATOM 1464 O GLN A 94 -4.238 17.590 -1.439 1.00 0.00 O ATOM 1465 CB GLN A 94 -6.908 17.491 0.598 1.00 0.00 C ATOM 1466 CG GLN A 94 -6.625 18.286 1.867 1.00 0.00 C ATOM 1467 CD GLN A 94 -7.753 19.204 2.271 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -7.801 20.368 1.875 1.00 0.00 O ATOM 1469 NE2 GLN A 94 -8.667 18.704 3.040 1.00 0.00 N ATOM 0 H GLN A 94 -5.834 15.920 2.145 1.00 0.00 H new ATOM 0 HA GLN A 94 -6.036 15.988 -0.687 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.139 18.183 -0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.793 16.875 0.754 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.423 17.592 2.683 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.721 18.878 1.721 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.598 17.735 3.351 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.456 19.279 3.335 1.00 0.00 H new ATOM 1478 N GLN A 95 -3.815 18.004 0.715 1.00 0.00 N ATOM 1479 CA GLN A 95 -2.715 18.899 0.437 1.00 0.00 C ATOM 1480 C GLN A 95 -1.461 18.106 0.130 1.00 0.00 C ATOM 1481 O GLN A 95 -0.807 18.324 -0.883 1.00 0.00 O ATOM 1482 CB GLN A 95 -2.492 19.899 1.589 1.00 0.00 C ATOM 1483 CG GLN A 95 -2.147 19.295 2.917 1.00 0.00 C ATOM 1484 CD GLN A 95 -1.810 20.321 3.979 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -2.375 21.498 3.877 1.00 0.00 O flip ATOM 1486 NE2 GLN A 95 -1.026 20.049 4.884 1.00 0.00 N flip ATOM 0 H GLN A 95 -3.982 17.838 1.707 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.967 19.489 -0.444 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.692 20.582 1.303 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -3.396 20.497 1.706 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.986 18.690 3.261 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.299 18.622 2.792 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.605 19.121 4.932 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.796 20.751 5.588 1.00 0.00 H new ATOM 1495 N VAL A 96 -1.206 17.127 0.979 1.00 0.00 N ATOM 1496 CA VAL A 96 -0.081 16.205 0.899 1.00 0.00 C ATOM 1497 C VAL A 96 -0.122 15.437 -0.416 1.00 0.00 C ATOM 1498 O VAL A 96 0.899 14.971 -0.886 1.00 0.00 O ATOM 1499 CB VAL A 96 -0.069 15.222 2.134 1.00 0.00 C ATOM 1500 CG1 VAL A 96 1.015 14.185 2.029 1.00 0.00 C ATOM 1501 CG2 VAL A 96 0.088 15.992 3.440 1.00 0.00 C ATOM 0 H VAL A 96 -1.805 16.942 1.783 1.00 0.00 H new ATOM 0 HA VAL A 96 0.843 16.782 0.929 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.029 14.706 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.981 13.534 2.902 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.864 13.591 1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.986 14.677 1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.093 15.293 4.276 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.026 16.547 3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.743 16.688 3.554 1.00 0.00 H new ATOM 1511 N GLN A 97 -1.320 15.351 -1.014 1.00 0.00 N ATOM 1512 CA GLN A 97 -1.555 14.677 -2.305 1.00 0.00 C ATOM 1513 C GLN A 97 -0.473 14.995 -3.343 1.00 0.00 C ATOM 1514 O GLN A 97 0.044 14.102 -3.988 1.00 0.00 O ATOM 1515 CB GLN A 97 -2.895 15.099 -2.866 1.00 0.00 C ATOM 1516 CG GLN A 97 -3.228 14.482 -4.206 1.00 0.00 C ATOM 1517 CD GLN A 97 -4.493 15.050 -4.777 1.00 0.00 C ATOM 1518 OE1 GLN A 97 -4.462 16.040 -5.507 1.00 0.00 O ATOM 1519 NE2 GLN A 97 -5.604 14.469 -4.448 1.00 0.00 N ATOM 0 H GLN A 97 -2.166 15.753 -0.611 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.532 13.605 -2.109 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.675 14.833 -2.152 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.909 16.184 -2.965 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.406 14.654 -4.901 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.331 13.403 -4.095 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -5.591 13.650 -3.840 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -6.492 14.831 -4.797 1.00 0.00 H new ATOM 1528 N GLN A 98 -0.106 16.259 -3.457 1.00 0.00 N ATOM 1529 CA GLN A 98 0.873 16.694 -4.451 1.00 0.00 C ATOM 1530 C GLN A 98 2.290 16.184 -4.159 1.00 0.00 C ATOM 1531 O GLN A 98 3.150 16.163 -5.039 1.00 0.00 O ATOM 1532 CB GLN A 98 0.844 18.210 -4.628 1.00 0.00 C ATOM 1533 CG GLN A 98 1.098 19.004 -3.358 1.00 0.00 C ATOM 1534 CD GLN A 98 0.964 20.498 -3.566 1.00 0.00 C ATOM 1535 OE1 GLN A 98 0.092 20.899 -4.463 1.00 0.00 O flip ATOM 1536 NE2 GLN A 98 1.622 21.293 -2.892 1.00 0.00 N flip ATOM 0 H GLN A 98 -0.471 17.010 -2.872 1.00 0.00 H new ATOM 0 HA GLN A 98 0.579 16.239 -5.397 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.592 18.490 -5.370 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.128 18.496 -5.031 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.396 18.684 -2.588 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.099 18.781 -2.989 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.291 20.947 -2.204 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.498 22.297 -3.022 1.00 0.00 H new ATOM 1545 N MET A 99 2.524 15.766 -2.946 1.00 0.00 N ATOM 1546 CA MET A 99 3.822 15.263 -2.557 1.00 0.00 C ATOM 1547 C MET A 99 3.763 13.754 -2.523 1.00 0.00 C ATOM 1548 O MET A 99 4.611 13.086 -3.067 1.00 0.00 O ATOM 1549 CB MET A 99 4.177 15.773 -1.190 1.00 0.00 C ATOM 1550 CG MET A 99 5.662 15.854 -0.887 1.00 0.00 C ATOM 1551 SD MET A 99 6.570 17.017 -1.926 1.00 0.00 S ATOM 1552 CE MET A 99 8.218 16.832 -1.230 1.00 0.00 C ATOM 0 H MET A 99 1.829 15.762 -2.200 1.00 0.00 H new ATOM 0 HA MET A 99 4.575 15.598 -3.270 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.745 16.766 -1.068 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.707 15.128 -0.448 1.00 0.00 H new ATOM 0 HG2 MET A 99 5.793 16.139 0.157 1.00 0.00 H new ATOM 0 HG3 MET A 99 6.099 14.862 -1.004 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.912 17.485 -1.759 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.199 17.102 -0.174 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.543 15.797 -1.334 1.00 0.00 H new ATOM 1562 N VAL A 100 2.741 13.221 -1.902 1.00 0.00 N ATOM 1563 CA VAL A 100 2.577 11.773 -1.816 1.00 0.00 C ATOM 1564 C VAL A 100 2.345 11.149 -3.211 1.00 0.00 C ATOM 1565 O VAL A 100 2.649 9.984 -3.436 1.00 0.00 O ATOM 1566 CB VAL A 100 1.477 11.343 -0.796 1.00 0.00 C ATOM 1567 CG1 VAL A 100 0.103 11.788 -1.224 1.00 0.00 C ATOM 1568 CG2 VAL A 100 1.512 9.850 -0.542 1.00 0.00 C ATOM 0 H VAL A 100 2.005 13.759 -1.445 1.00 0.00 H new ATOM 0 HA VAL A 100 3.515 11.378 -1.427 1.00 0.00 H new ATOM 0 HB VAL A 100 1.702 11.849 0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.630 11.467 -0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.082 12.875 -1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.138 11.345 -2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.733 9.584 0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.343 9.318 -1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.486 9.572 -0.138 1.00 0.00 H new ATOM 1578 N LYS A 101 1.841 11.941 -4.163 1.00 0.00 N ATOM 1579 CA LYS A 101 1.696 11.467 -5.536 1.00 0.00 C ATOM 1580 C LYS A 101 3.056 11.120 -6.141 1.00 0.00 C ATOM 1581 O LYS A 101 3.137 10.313 -7.059 1.00 0.00 O ATOM 1582 CB LYS A 101 1.042 12.493 -6.440 1.00 0.00 C ATOM 1583 CG LYS A 101 1.879 13.736 -6.628 1.00 0.00 C ATOM 1584 CD LYS A 101 1.636 14.365 -7.971 1.00 0.00 C ATOM 1585 CE LYS A 101 0.208 14.851 -8.143 1.00 0.00 C ATOM 1586 NZ LYS A 101 0.001 15.458 -9.466 1.00 0.00 N ATOM 0 H LYS A 101 1.531 12.900 -4.008 1.00 0.00 H new ATOM 0 HA LYS A 101 1.060 10.584 -5.477 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.850 12.041 -7.413 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.075 12.773 -6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 101 1.648 14.454 -5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.935 13.484 -6.529 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.319 15.204 -8.103 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.865 13.641 -8.753 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.480 14.015 -8.013 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.025 15.580 -7.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.985 15.779 -9.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.641 16.270 -9.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.200 14.755 -10.206 1.00 0.00 H new ATOM 1600 N LYS A 102 4.126 11.737 -5.619 1.00 0.00 N ATOM 1601 CA LYS A 102 5.458 11.497 -6.108 1.00 0.00 C ATOM 1602 C LYS A 102 5.829 10.055 -5.864 1.00 0.00 C ATOM 1603 O LYS A 102 6.531 9.461 -6.656 1.00 0.00 O ATOM 1604 CB LYS A 102 6.427 12.429 -5.422 1.00 0.00 C ATOM 1605 CG LYS A 102 6.136 13.906 -5.686 1.00 0.00 C ATOM 1606 CD LYS A 102 6.879 14.798 -4.712 1.00 0.00 C ATOM 1607 CE LYS A 102 8.374 14.600 -4.773 1.00 0.00 C ATOM 1608 NZ LYS A 102 8.945 15.015 -6.073 1.00 0.00 N ATOM 0 H LYS A 102 4.076 12.408 -4.853 1.00 0.00 H new ATOM 0 HA LYS A 102 5.500 11.689 -7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.397 12.246 -4.348 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.439 12.200 -5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.425 14.159 -6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.064 14.088 -5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.645 15.840 -4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.530 14.595 -3.700 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.846 15.170 -3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.606 13.550 -4.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.537 14.249 -6.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.175 15.220 -6.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.525 15.868 -5.941 1.00 0.00 H new ATOM 1622 N ALA A 103 5.279 9.485 -4.786 1.00 0.00 N ATOM 1623 CA ALA A 103 5.476 8.068 -4.463 1.00 0.00 C ATOM 1624 C ALA A 103 4.955 7.205 -5.594 1.00 0.00 C ATOM 1625 O ALA A 103 5.583 6.259 -5.993 1.00 0.00 O ATOM 1626 CB ALA A 103 4.758 7.690 -3.173 1.00 0.00 C ATOM 0 H ALA A 103 4.691 9.986 -4.120 1.00 0.00 H new ATOM 0 HA ALA A 103 6.545 7.901 -4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.923 6.634 -2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.147 8.290 -2.351 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.690 7.875 -3.284 1.00 0.00 H new ATOM 1632 N GLN A 104 3.841 7.621 -6.166 1.00 0.00 N ATOM 1633 CA GLN A 104 3.171 6.890 -7.229 1.00 0.00 C ATOM 1634 C GLN A 104 3.953 7.002 -8.534 1.00 0.00 C ATOM 1635 O GLN A 104 3.726 6.250 -9.474 1.00 0.00 O ATOM 1636 CB GLN A 104 1.744 7.420 -7.398 1.00 0.00 C ATOM 1637 CG GLN A 104 0.941 7.377 -6.104 1.00 0.00 C ATOM 1638 CD GLN A 104 -0.526 7.694 -6.290 1.00 0.00 C ATOM 1639 OE1 GLN A 104 -0.880 8.949 -6.224 1.00 0.00 O flip ATOM 1640 NE2 GLN A 104 -1.339 6.795 -6.505 1.00 0.00 N flip ATOM 0 H GLN A 104 3.369 8.486 -5.904 1.00 0.00 H new ATOM 0 HA GLN A 104 3.123 5.835 -6.961 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.783 8.447 -7.762 1.00 0.00 H new ATOM 0 HB3 GLN A 104 1.231 6.832 -8.159 1.00 0.00 H new ATOM 0 HG2 GLN A 104 1.036 6.386 -5.660 1.00 0.00 H new ATOM 0 HG3 GLN A 104 1.370 8.086 -5.396 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -1.027 5.825 -6.550 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -2.325 7.020 -6.638 1.00 0.00 H new ATOM 1649 N MET A 105 4.856 7.964 -8.612 1.00 0.00 N ATOM 1650 CA MET A 105 5.712 8.108 -9.793 1.00 0.00 C ATOM 1651 C MET A 105 6.890 7.161 -9.713 1.00 0.00 C ATOM 1652 O MET A 105 7.485 6.817 -10.736 1.00 0.00 O ATOM 1653 CB MET A 105 6.249 9.505 -9.912 1.00 0.00 C ATOM 1654 CG MET A 105 5.187 10.562 -9.808 1.00 0.00 C ATOM 1655 SD MET A 105 5.821 12.224 -10.055 1.00 0.00 S ATOM 1656 CE MET A 105 4.306 13.149 -9.917 1.00 0.00 C ATOM 0 H MET A 105 5.020 8.656 -7.881 1.00 0.00 H new ATOM 0 HA MET A 105 5.096 7.878 -10.662 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.992 9.669 -9.131 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.763 9.609 -10.868 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.410 10.362 -10.546 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.717 10.501 -8.826 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.328 13.989 -10.611 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.462 12.502 -10.157 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.199 13.522 -8.899 1.00 0.00 H new ATOM 1666 N LEU A 106 7.205 6.721 -8.498 1.00 0.00 N ATOM 1667 CA LEU A 106 8.333 5.800 -8.231 1.00 0.00 C ATOM 1668 C LEU A 106 8.397 4.588 -9.166 1.00 0.00 C ATOM 1669 O LEU A 106 9.465 4.296 -9.673 1.00 0.00 O ATOM 1670 CB LEU A 106 8.399 5.344 -6.768 1.00 0.00 C ATOM 1671 CG LEU A 106 9.240 6.184 -5.792 1.00 0.00 C ATOM 1672 CD1 LEU A 106 8.900 7.656 -5.856 1.00 0.00 C ATOM 1673 CD2 LEU A 106 9.071 5.667 -4.379 1.00 0.00 C ATOM 0 H LEU A 106 6.690 6.988 -7.659 1.00 0.00 H new ATOM 0 HA LEU A 106 9.214 6.406 -8.443 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.380 5.304 -6.383 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.786 4.325 -6.752 1.00 0.00 H new ATOM 0 HG LEU A 106 10.282 6.083 -6.094 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.522 8.204 -5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.083 8.028 -6.864 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.849 7.798 -5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.671 6.269 -3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.022 5.730 -4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.399 4.629 -4.330 1.00 0.00 H new ATOM 1685 N PRO A 107 7.282 3.854 -9.437 1.00 0.00 N ATOM 1686 CA PRO A 107 7.328 2.724 -10.346 1.00 0.00 C ATOM 1687 C PRO A 107 7.717 3.119 -11.759 1.00 0.00 C ATOM 1688 O PRO A 107 8.226 2.295 -12.509 1.00 0.00 O ATOM 1689 CB PRO A 107 5.927 2.123 -10.302 1.00 0.00 C ATOM 1690 CG PRO A 107 5.071 3.191 -9.752 1.00 0.00 C ATOM 1691 CD PRO A 107 5.942 4.012 -8.854 1.00 0.00 C ATOM 0 HA PRO A 107 8.095 2.012 -10.042 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.595 1.823 -11.296 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.899 1.232 -9.674 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.652 3.802 -10.551 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.231 2.769 -9.199 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.631 5.057 -8.839 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.907 3.655 -7.825 1.00 0.00 H new ATOM 1699 N ASN A 108 7.523 4.374 -12.114 1.00 0.00 N ATOM 1700 CA ASN A 108 7.871 4.811 -13.401 1.00 0.00 C ATOM 1701 C ASN A 108 9.323 5.291 -13.396 1.00 0.00 C ATOM 1702 O ASN A 108 10.112 4.945 -14.267 1.00 0.00 O ATOM 1703 CB ASN A 108 6.932 5.921 -13.854 1.00 0.00 C ATOM 1704 CG ASN A 108 5.459 5.510 -13.924 1.00 0.00 C ATOM 1705 OD1 ASN A 108 5.024 4.849 -14.868 1.00 0.00 O ATOM 1706 ND2 ASN A 108 4.663 5.984 -12.988 1.00 0.00 N ATOM 0 H ASN A 108 7.123 5.091 -11.509 1.00 0.00 H new ATOM 0 HA ASN A 108 7.775 3.985 -14.105 1.00 0.00 H new ATOM 0 HB2 ASN A 108 7.030 6.765 -13.171 1.00 0.00 H new ATOM 0 HB3 ASN A 108 7.247 6.269 -14.838 1.00 0.00 H new ATOM 0 HD21 ASN A 108 3.660 5.807 -13.034 1.00 0.00 H new ATOM 0 HD22 ASN A 108 5.050 6.528 -12.217 1.00 0.00 H new ATOM 1713 N GLN A 109 9.680 6.028 -12.353 1.00 0.00 N ATOM 1714 CA GLN A 109 11.020 6.619 -12.216 1.00 0.00 C ATOM 1715 C GLN A 109 12.094 5.583 -11.869 1.00 0.00 C ATOM 1716 O GLN A 109 13.221 5.662 -12.334 1.00 0.00 O ATOM 1717 CB GLN A 109 11.013 7.733 -11.163 1.00 0.00 C ATOM 1718 CG GLN A 109 10.178 8.952 -11.540 1.00 0.00 C ATOM 1719 CD GLN A 109 10.684 9.635 -12.801 1.00 0.00 C ATOM 1720 OE1 GLN A 109 11.882 9.594 -13.119 1.00 0.00 O ATOM 1721 NE2 GLN A 109 9.804 10.266 -13.526 1.00 0.00 N ATOM 0 H GLN A 109 9.055 6.238 -11.574 1.00 0.00 H new ATOM 0 HA GLN A 109 11.275 7.036 -13.190 1.00 0.00 H new ATOM 0 HB2 GLN A 109 10.637 7.326 -10.224 1.00 0.00 H new ATOM 0 HB3 GLN A 109 12.039 8.053 -10.983 1.00 0.00 H new ATOM 0 HG2 GLN A 109 9.142 8.648 -11.686 1.00 0.00 H new ATOM 0 HG3 GLN A 109 10.188 9.665 -10.715 1.00 0.00 H new ATOM 0 HE21 GLN A 109 8.825 10.283 -13.240 1.00 0.00 H new ATOM 0 HE22 GLN A 109 10.094 10.743 -14.380 1.00 0.00 H new ATOM 1730 N CYS A 110 11.739 4.619 -11.061 1.00 0.00 N ATOM 1731 CA CYS A 110 12.673 3.582 -10.631 1.00 0.00 C ATOM 1732 C CYS A 110 12.611 2.416 -11.625 1.00 0.00 C ATOM 1733 O CYS A 110 13.384 1.458 -11.537 1.00 0.00 O ATOM 1734 CB CYS A 110 12.283 3.122 -9.207 1.00 0.00 C ATOM 1735 SG CYS A 110 13.507 2.092 -8.299 1.00 0.00 S ATOM 0 H CYS A 110 10.799 4.520 -10.677 1.00 0.00 H new ATOM 0 HA CYS A 110 13.694 3.963 -10.607 1.00 0.00 H new ATOM 0 HB2 CYS A 110 12.077 4.009 -8.609 1.00 0.00 H new ATOM 0 HB3 CYS A 110 11.352 2.560 -9.276 1.00 0.00 H new ATOM 1740 N ASN A 111 11.690 2.550 -12.595 1.00 0.00 N ATOM 1741 CA ASN A 111 11.416 1.551 -13.631 1.00 0.00 C ATOM 1742 C ASN A 111 11.085 0.218 -12.999 1.00 0.00 C ATOM 1743 O ASN A 111 11.839 -0.751 -13.062 1.00 0.00 O ATOM 1744 CB ASN A 111 12.549 1.422 -14.666 1.00 0.00 C ATOM 1745 CG ASN A 111 12.187 0.491 -15.820 1.00 0.00 C ATOM 1746 OD1 ASN A 111 11.022 0.389 -16.220 1.00 0.00 O ATOM 1747 ND2 ASN A 111 13.158 -0.195 -16.344 1.00 0.00 N ATOM 0 H ASN A 111 11.103 3.380 -12.678 1.00 0.00 H new ATOM 0 HA ASN A 111 10.548 1.901 -14.190 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.789 2.409 -15.062 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.447 1.050 -14.172 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.970 -0.842 -17.110 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.108 -0.086 -15.990 1.00 0.00 H new ATOM 1754 N LEU A 112 10.017 0.232 -12.287 1.00 0.00 N ATOM 1755 CA LEU A 112 9.515 -0.927 -11.604 1.00 0.00 C ATOM 1756 C LEU A 112 8.520 -1.621 -12.475 1.00 0.00 C ATOM 1757 O LEU A 112 7.979 -1.013 -13.386 1.00 0.00 O ATOM 1758 CB LEU A 112 8.896 -0.536 -10.275 1.00 0.00 C ATOM 1759 CG LEU A 112 9.807 0.293 -9.385 1.00 0.00 C ATOM 1760 CD1 LEU A 112 9.157 0.593 -8.051 1.00 0.00 C ATOM 1761 CD2 LEU A 112 11.150 -0.394 -9.212 1.00 0.00 C ATOM 0 H LEU A 112 9.446 1.066 -12.153 1.00 0.00 H new ATOM 0 HA LEU A 112 10.339 -1.609 -11.396 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.981 0.026 -10.464 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.609 -1.441 -9.740 1.00 0.00 H new ATOM 0 HG LEU A 112 9.980 1.251 -9.875 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.837 1.187 -7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.234 1.150 -8.213 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.932 -0.342 -7.538 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.790 0.214 -8.572 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.002 -1.372 -8.754 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.624 -0.517 -10.186 1.00 0.00 H new ATOM 1773 N GLN A 113 8.276 -2.882 -12.198 1.00 0.00 N ATOM 1774 CA GLN A 113 7.398 -3.759 -13.002 1.00 0.00 C ATOM 1775 C GLN A 113 5.907 -3.399 -12.890 1.00 0.00 C ATOM 1776 O GLN A 113 5.032 -4.255 -13.018 1.00 0.00 O ATOM 1777 CB GLN A 113 7.628 -5.203 -12.578 1.00 0.00 C ATOM 1778 CG GLN A 113 9.081 -5.639 -12.666 1.00 0.00 C ATOM 1779 CD GLN A 113 9.642 -5.667 -14.096 1.00 0.00 C ATOM 1780 OE1 GLN A 113 9.233 -4.902 -14.973 1.00 0.00 O ATOM 1781 NE2 GLN A 113 10.578 -6.538 -14.338 1.00 0.00 N ATOM 0 H GLN A 113 8.684 -3.355 -11.392 1.00 0.00 H new ATOM 0 HA GLN A 113 7.661 -3.617 -14.050 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.280 -5.332 -11.553 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.022 -5.858 -13.205 1.00 0.00 H new ATOM 0 HG2 GLN A 113 9.689 -4.965 -12.062 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.178 -6.633 -12.230 1.00 0.00 H new ATOM 0 HE21 GLN A 113 10.900 -7.160 -13.596 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.990 -6.599 -15.269 1.00 0.00 H new ATOM 1790 N CYS A 114 5.645 -2.147 -12.775 1.00 0.00 N ATOM 1791 CA CYS A 114 4.351 -1.597 -12.576 1.00 0.00 C ATOM 1792 C CYS A 114 4.400 -0.152 -13.035 1.00 0.00 C ATOM 1793 O CYS A 114 5.483 0.442 -13.085 1.00 0.00 O ATOM 1794 CB CYS A 114 4.027 -1.643 -11.095 1.00 0.00 C ATOM 1795 SG CYS A 114 3.593 -3.281 -10.381 1.00 0.00 S ATOM 0 H CYS A 114 6.373 -1.434 -12.820 1.00 0.00 H new ATOM 0 HA CYS A 114 3.594 -2.152 -13.130 1.00 0.00 H new ATOM 0 HB2 CYS A 114 4.886 -1.253 -10.549 1.00 0.00 H new ATOM 0 HB3 CYS A 114 3.196 -0.963 -10.910 1.00 0.00 H new ATOM 1800 N SER A 115 3.284 0.407 -13.388 1.00 0.00 N ATOM 1801 CA SER A 115 3.229 1.777 -13.807 1.00 0.00 C ATOM 1802 C SER A 115 1.957 2.420 -13.293 1.00 0.00 C ATOM 1803 O SER A 115 0.853 1.937 -13.555 1.00 0.00 O ATOM 1804 CB SER A 115 3.296 1.869 -15.329 1.00 0.00 C ATOM 1805 OG SER A 115 4.479 1.240 -15.833 1.00 0.00 O ATOM 0 H SER A 115 2.384 -0.072 -13.394 1.00 0.00 H new ATOM 0 HA SER A 115 4.085 2.310 -13.393 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.416 1.396 -15.764 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.279 2.915 -15.634 1.00 0.00 H new ATOM 0 HG SER A 115 4.497 1.312 -16.810 1.00 0.00 H new ATOM 1811 N ILE A 116 2.119 3.454 -12.524 1.00 0.00 N ATOM 1812 CA ILE A 116 1.010 4.196 -12.010 1.00 0.00 C ATOM 1813 C ILE A 116 0.882 5.435 -12.863 1.00 0.00 C ATOM 1814 O ILE A 116 1.842 6.237 -12.886 1.00 0.00 O ATOM 1815 CB ILE A 116 1.209 4.591 -10.516 1.00 0.00 C ATOM 1816 CG1 ILE A 116 1.473 3.340 -9.666 1.00 0.00 C ATOM 1817 CG2 ILE A 116 -0.041 5.305 -10.008 1.00 0.00 C ATOM 1818 CD1 ILE A 116 1.895 3.600 -8.249 1.00 0.00 C ATOM 1819 OXT ILE A 116 -0.146 5.614 -13.542 1.00 0.00 O ATOM 0 H ILE A 116 3.031 3.808 -12.234 1.00 0.00 H new ATOM 0 HA ILE A 116 0.109 3.584 -12.048 1.00 0.00 H new ATOM 0 HB ILE A 116 2.068 5.257 -10.436 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.567 2.734 -9.652 1.00 0.00 H new ATOM 0 HG13 ILE A 116 2.246 2.747 -10.154 1.00 0.00 H new ATOM 0 HG21 ILE A 116 0.097 5.582 -8.963 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -0.214 6.203 -10.601 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -0.901 4.641 -10.097 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.055 2.651 -7.737 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.821 4.176 -8.245 1.00 0.00 H new ATOM 0 HD13 ILE A 116 1.116 4.162 -7.735 1.00 0.00 H new TER 1831 ILE A 116