USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 872 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 37 GLN : amide:sc=-0.00649 X(o=-0.51,f=-0.81) USER MOD Set 1.2: A 73 THR OG1 : rot -63:sc= 0.593 USER MOD Set 1.3: A 74 MET CE :methyl -160:sc= -1.1 (180deg=-1.18) USER MOD Set 2.1: A 26 GLN :FLIP amide:sc= 0.82 X(o=1.3,f=1.4) USER MOD Set 2.2: A 69 GLN : amide:sc= 0.545 X(o=1.4,f=1.3) USER MOD Set 3.1: A 22 SER OG : rot 90:sc= -0.232 USER MOD Set 3.2: A 58 GLN : amide:sc= -1.19 K(o=-0.48,f=-1.8!) USER MOD Set 3.3: A 63 THR OG1 : rot -3:sc= 0.936 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0888 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00177 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 47:sc= 0.294 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0631 USER MOD Single : A 14 MET CE :methyl -164:sc= -0.942 (180deg=-1.54!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -116:sc= 0.87 (180deg=0.0125) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN :FLIP amide:sc= -0.968 F(o=-2.5,f=-0.97) USER MOD Single : A 27 HIS : no HD1:sc= -0.0488 X(o=-0.049,f=-0.049) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 38 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.001) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 163:sc=-0.00677 (180deg=-0.125) USER MOD Single : A 44 TYR OH : rot -37:sc= 0.0886 USER MOD Single : A 45 HIS : no HD1:sc=-0.00368 K(o=-0.0037,f=-1.7) USER MOD Single : A 47 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -118:sc= -1.39 (180deg=-3.52!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 81 SER OG : rot -160:sc= -0.5 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 94:sc= 0.28 USER MOD Single : A 93 SER OG : rot -110:sc= 0.453 USER MOD Single : A 94 MET CE :methyl -124:sc= -0.116 (180deg=-0.938) USER MOD Single : A 95 CYS SG : rot -123:sc= 1.13 USER MOD Single : A 99 HIS :FLIP no HD1:sc= -1.16 F(o=-4.3!,f=-1.2) USER MOD Single : A 101 SER OG : rot 180:sc= 0.0813 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 179:sc= 0.0026 (180deg=0.00259) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot -58:sc= 0.0334 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.561 -12.228 -0.952 1.00 0.00 N ATOM 2 CA GLY A 1 -31.540 -11.290 0.155 1.00 0.00 C ATOM 3 C GLY A 1 -31.638 -9.849 -0.305 1.00 0.00 C ATOM 4 O GLY A 1 -31.998 -9.579 -1.451 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.313 -12.930 -0.798 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.742 -11.715 -1.838 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.643 -12.713 -1.014 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.367 -11.510 0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.620 -11.425 0.724 1.00 0.00 H new ATOM 8 N SER A 2 -31.319 -8.920 0.591 1.00 0.00 N ATOM 9 CA SER A 2 -31.379 -7.498 0.273 1.00 0.00 C ATOM 10 C SER A 2 -30.155 -6.768 0.817 1.00 0.00 C ATOM 11 O SER A 2 -29.299 -7.367 1.469 1.00 0.00 O ATOM 12 CB SER A 2 -32.654 -6.879 0.847 1.00 0.00 C ATOM 13 OG SER A 2 -32.686 -6.992 2.259 1.00 0.00 O ATOM 0 H SER A 2 -31.016 -9.127 1.543 1.00 0.00 H new ATOM 0 HA SER A 2 -31.390 -7.393 -0.812 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.712 -5.829 0.562 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.526 -7.374 0.420 1.00 0.00 H new ATOM 0 HG SER A 2 -33.510 -6.587 2.601 1.00 0.00 H new ATOM 19 N SER A 3 -30.079 -5.469 0.546 1.00 0.00 N ATOM 20 CA SER A 3 -28.959 -4.656 1.004 1.00 0.00 C ATOM 21 C SER A 3 -29.185 -3.184 0.674 1.00 0.00 C ATOM 22 O SER A 3 -30.155 -2.828 0.006 1.00 0.00 O ATOM 23 CB SER A 3 -27.656 -5.140 0.366 1.00 0.00 C ATOM 24 OG SER A 3 -26.530 -4.690 1.101 1.00 0.00 O ATOM 0 H SER A 3 -30.780 -4.957 0.011 1.00 0.00 H new ATOM 0 HA SER A 3 -28.885 -4.760 2.087 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.653 -6.229 0.320 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.593 -4.777 -0.660 1.00 0.00 H new ATOM 0 HG SER A 3 -25.710 -5.014 0.674 1.00 0.00 H new ATOM 30 N GLY A 4 -28.281 -2.332 1.148 1.00 0.00 N ATOM 31 CA GLY A 4 -28.399 -0.908 0.894 1.00 0.00 C ATOM 32 C GLY A 4 -27.076 -0.277 0.505 1.00 0.00 C ATOM 33 O GLY A 4 -26.262 0.054 1.366 1.00 0.00 O ATOM 0 H GLY A 4 -27.469 -2.602 1.703 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -29.125 -0.743 0.098 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.786 -0.414 1.785 1.00 0.00 H new ATOM 37 N SER A 5 -26.861 -0.112 -0.796 1.00 0.00 N ATOM 38 CA SER A 5 -25.625 0.478 -1.298 1.00 0.00 C ATOM 39 C SER A 5 -25.454 1.902 -0.779 1.00 0.00 C ATOM 40 O SER A 5 -24.382 2.276 -0.304 1.00 0.00 O ATOM 41 CB SER A 5 -25.619 0.476 -2.828 1.00 0.00 C ATOM 42 OG SER A 5 -24.294 0.493 -3.332 1.00 0.00 O ATOM 0 H SER A 5 -27.526 -0.378 -1.522 1.00 0.00 H new ATOM 0 HA SER A 5 -24.791 -0.124 -0.938 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.140 -0.408 -3.196 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.164 1.345 -3.198 1.00 0.00 H new ATOM 0 HG SER A 5 -24.317 0.490 -4.312 1.00 0.00 H new ATOM 48 N SER A 6 -26.519 2.692 -0.874 1.00 0.00 N ATOM 49 CA SER A 6 -26.486 4.076 -0.418 1.00 0.00 C ATOM 50 C SER A 6 -26.166 4.151 1.072 1.00 0.00 C ATOM 51 O SER A 6 -27.046 3.991 1.917 1.00 0.00 O ATOM 52 CB SER A 6 -27.826 4.759 -0.697 1.00 0.00 C ATOM 53 OG SER A 6 -28.907 3.972 -0.228 1.00 0.00 O ATOM 0 H SER A 6 -27.415 2.397 -1.263 1.00 0.00 H new ATOM 0 HA SER A 6 -25.700 4.594 -0.967 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.847 5.736 -0.214 1.00 0.00 H new ATOM 0 HB3 SER A 6 -27.934 4.930 -1.768 1.00 0.00 H new ATOM 0 HG SER A 6 -28.715 3.661 0.681 1.00 0.00 H new ATOM 59 N GLY A 7 -24.897 4.394 1.387 1.00 0.00 N ATOM 60 CA GLY A 7 -24.481 4.484 2.774 1.00 0.00 C ATOM 61 C GLY A 7 -24.010 5.876 3.148 1.00 0.00 C ATOM 62 O GLY A 7 -22.851 6.087 3.506 1.00 0.00 O ATOM 0 H GLY A 7 -24.150 4.530 0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.312 4.199 3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.677 3.770 2.956 1.00 0.00 H new ATOM 66 N PRO A 8 -24.922 6.856 3.066 1.00 0.00 N ATOM 67 CA PRO A 8 -24.617 8.251 3.394 1.00 0.00 C ATOM 68 C PRO A 8 -24.385 8.459 4.887 1.00 0.00 C ATOM 69 O PRO A 8 -23.996 9.544 5.320 1.00 0.00 O ATOM 70 CB PRO A 8 -25.868 9.005 2.938 1.00 0.00 C ATOM 71 CG PRO A 8 -26.961 7.994 2.992 1.00 0.00 C ATOM 72 CD PRO A 8 -26.323 6.676 2.648 1.00 0.00 C ATOM 0 HA PRO A 8 -23.699 8.590 2.914 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -26.080 9.852 3.591 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -25.746 9.402 1.930 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -27.414 7.962 3.983 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -27.755 8.239 2.286 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -26.797 5.850 3.177 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -26.400 6.458 1.583 1.00 0.00 H new ATOM 80 N LYS A 9 -24.624 7.412 5.669 1.00 0.00 N ATOM 81 CA LYS A 9 -24.440 7.478 7.114 1.00 0.00 C ATOM 82 C LYS A 9 -22.960 7.577 7.470 1.00 0.00 C ATOM 83 O LYS A 9 -22.156 6.736 7.067 1.00 0.00 O ATOM 84 CB LYS A 9 -25.055 6.248 7.784 1.00 0.00 C ATOM 85 CG LYS A 9 -24.834 4.959 7.010 1.00 0.00 C ATOM 86 CD LYS A 9 -25.065 3.738 7.883 1.00 0.00 C ATOM 87 CE LYS A 9 -24.283 2.535 7.378 1.00 0.00 C ATOM 88 NZ LYS A 9 -23.991 1.564 8.469 1.00 0.00 N ATOM 0 H LYS A 9 -24.946 6.507 5.326 1.00 0.00 H new ATOM 0 HA LYS A 9 -24.944 8.373 7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -24.632 6.139 8.783 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -26.126 6.409 7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -25.508 4.928 6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -23.818 4.939 6.617 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -24.769 3.961 8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -26.128 3.500 7.903 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -24.850 2.037 6.592 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -23.347 2.872 6.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -23.457 0.759 8.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -23.428 2.031 9.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -24.884 1.223 8.878 1.00 0.00 H new ATOM 102 N THR A 10 -22.605 8.610 8.228 1.00 0.00 N ATOM 103 CA THR A 10 -21.222 8.819 8.638 1.00 0.00 C ATOM 104 C THR A 10 -21.100 8.860 10.157 1.00 0.00 C ATOM 105 O THR A 10 -22.101 8.899 10.870 1.00 0.00 O ATOM 106 CB THR A 10 -20.654 10.125 8.053 1.00 0.00 C ATOM 107 OG1 THR A 10 -21.500 11.227 8.400 1.00 0.00 O ATOM 108 CG2 THR A 10 -20.530 10.031 6.539 1.00 0.00 C ATOM 0 H THR A 10 -23.257 9.316 8.571 1.00 0.00 H new ATOM 0 HA THR A 10 -20.647 7.977 8.252 1.00 0.00 H new ATOM 0 HB THR A 10 -19.661 10.284 8.474 1.00 0.00 H new ATOM 0 HG1 THR A 10 -21.130 12.054 8.025 1.00 0.00 H new ATOM 0 HG21 THR A 10 -20.127 10.965 6.148 1.00 0.00 H new ATOM 0 HG22 THR A 10 -19.862 9.210 6.279 1.00 0.00 H new ATOM 0 HG23 THR A 10 -21.513 9.850 6.104 1.00 0.00 H new ATOM 116 N GLY A 11 -19.863 8.852 10.647 1.00 0.00 N ATOM 117 CA GLY A 11 -19.633 8.889 12.079 1.00 0.00 C ATOM 118 C GLY A 11 -18.488 9.808 12.458 1.00 0.00 C ATOM 119 O GLY A 11 -18.104 10.701 11.702 1.00 0.00 O ATOM 0 H GLY A 11 -19.017 8.821 10.078 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -20.542 9.220 12.582 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -19.420 7.881 12.436 1.00 0.00 H new ATOM 123 N PRO A 12 -17.925 9.595 13.656 1.00 0.00 N ATOM 124 CA PRO A 12 -16.810 10.402 14.162 1.00 0.00 C ATOM 125 C PRO A 12 -15.516 10.145 13.398 1.00 0.00 C ATOM 126 O PRO A 12 -15.402 9.168 12.658 1.00 0.00 O ATOM 127 CB PRO A 12 -16.673 9.945 15.616 1.00 0.00 C ATOM 128 CG PRO A 12 -17.231 8.564 15.634 1.00 0.00 C ATOM 129 CD PRO A 12 -18.332 8.549 14.610 1.00 0.00 C ATOM 0 HA PRO A 12 -16.997 11.470 14.053 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -15.632 9.955 15.938 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -17.221 10.602 16.291 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -16.463 7.830 15.392 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.614 8.311 16.623 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -18.418 7.576 14.127 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -19.301 8.769 15.058 1.00 0.00 H new ATOM 137 N THR A 13 -14.540 11.029 13.583 1.00 0.00 N ATOM 138 CA THR A 13 -13.253 10.899 12.911 1.00 0.00 C ATOM 139 C THR A 13 -12.683 9.496 13.083 1.00 0.00 C ATOM 140 O THR A 13 -12.968 8.817 14.068 1.00 0.00 O ATOM 141 CB THR A 13 -12.235 11.924 13.444 1.00 0.00 C ATOM 142 OG1 THR A 13 -10.902 11.479 13.169 1.00 0.00 O ATOM 143 CG2 THR A 13 -12.407 12.129 14.942 1.00 0.00 C ATOM 0 H THR A 13 -14.617 11.843 14.193 1.00 0.00 H new ATOM 0 HA THR A 13 -13.428 11.090 11.852 1.00 0.00 H new ATOM 0 HB THR A 13 -12.412 12.874 12.940 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.261 12.137 13.510 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.677 12.857 15.296 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.413 12.495 15.146 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.254 11.182 15.459 1.00 0.00 H new ATOM 151 N MET A 14 -11.876 9.068 12.117 1.00 0.00 N ATOM 152 CA MET A 14 -11.264 7.745 12.164 1.00 0.00 C ATOM 153 C MET A 14 -10.241 7.580 11.045 1.00 0.00 C ATOM 154 O MET A 14 -10.579 7.659 9.863 1.00 0.00 O ATOM 155 CB MET A 14 -12.337 6.659 12.054 1.00 0.00 C ATOM 156 CG MET A 14 -13.436 6.989 11.058 1.00 0.00 C ATOM 157 SD MET A 14 -14.920 5.996 11.307 1.00 0.00 S ATOM 158 CE MET A 14 -14.243 4.589 12.184 1.00 0.00 C ATOM 0 H MET A 14 -11.631 9.617 11.293 1.00 0.00 H new ATOM 0 HA MET A 14 -10.751 7.643 13.120 1.00 0.00 H new ATOM 0 HB2 MET A 14 -11.864 5.721 11.763 1.00 0.00 H new ATOM 0 HB3 MET A 14 -12.783 6.500 13.036 1.00 0.00 H new ATOM 0 HG2 MET A 14 -13.692 8.045 11.142 1.00 0.00 H new ATOM 0 HG3 MET A 14 -13.063 6.831 10.046 1.00 0.00 H new ATOM 0 HE1 MET A 14 -14.959 3.767 12.161 1.00 0.00 H new ATOM 0 HE2 MET A 14 -13.315 4.275 11.707 1.00 0.00 H new ATOM 0 HE3 MET A 14 -14.043 4.867 13.219 1.00 0.00 H new ATOM 168 N THR A 15 -8.987 7.350 11.424 1.00 0.00 N ATOM 169 CA THR A 15 -7.915 7.175 10.453 1.00 0.00 C ATOM 170 C THR A 15 -7.173 5.864 10.684 1.00 0.00 C ATOM 171 O THR A 15 -6.791 5.544 11.810 1.00 0.00 O ATOM 172 CB THR A 15 -6.908 8.339 10.513 1.00 0.00 C ATOM 173 OG1 THR A 15 -7.580 9.581 10.275 1.00 0.00 O ATOM 174 CG2 THR A 15 -5.802 8.151 9.486 1.00 0.00 C ATOM 0 H THR A 15 -8.690 7.281 12.397 1.00 0.00 H new ATOM 0 HA THR A 15 -8.381 7.157 9.468 1.00 0.00 H new ATOM 0 HB THR A 15 -6.461 8.353 11.507 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.933 10.316 10.317 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.103 8.985 9.547 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.273 7.219 9.687 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.236 8.114 8.487 1.00 0.00 H new ATOM 182 N LYS A 16 -6.970 5.107 9.610 1.00 0.00 N ATOM 183 CA LYS A 16 -6.271 3.830 9.695 1.00 0.00 C ATOM 184 C LYS A 16 -4.789 3.999 9.376 1.00 0.00 C ATOM 185 O LYS A 16 -4.417 4.797 8.516 1.00 0.00 O ATOM 186 CB LYS A 16 -6.898 2.818 8.733 1.00 0.00 C ATOM 187 CG LYS A 16 -8.236 2.277 9.207 1.00 0.00 C ATOM 188 CD LYS A 16 -8.065 1.281 10.341 1.00 0.00 C ATOM 189 CE LYS A 16 -9.314 1.200 11.206 1.00 0.00 C ATOM 190 NZ LYS A 16 -10.341 0.299 10.613 1.00 0.00 N ATOM 0 H LYS A 16 -7.280 5.356 8.671 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.365 3.459 10.716 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.030 3.289 7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.208 1.986 8.594 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.866 3.102 9.538 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.751 1.797 8.375 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.841 0.296 9.931 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.213 1.571 10.956 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.045 0.841 12.199 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.735 2.198 11.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.188 0.851 10.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.959 -0.145 9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.594 -0.439 11.301 1.00 0.00 H new ATOM 204 N GLU A 17 -3.948 3.243 10.075 1.00 0.00 N ATOM 205 CA GLU A 17 -2.507 3.310 9.865 1.00 0.00 C ATOM 206 C GLU A 17 -1.903 1.910 9.785 1.00 0.00 C ATOM 207 O GLU A 17 -2.245 1.028 10.574 1.00 0.00 O ATOM 208 CB GLU A 17 -1.841 4.101 10.992 1.00 0.00 C ATOM 209 CG GLU A 17 -2.344 5.530 11.112 1.00 0.00 C ATOM 210 CD GLU A 17 -1.634 6.308 12.203 1.00 0.00 C ATOM 211 OE1 GLU A 17 -0.581 5.835 12.680 1.00 0.00 O ATOM 212 OE2 GLU A 17 -2.131 7.390 12.580 1.00 0.00 O ATOM 0 H GLU A 17 -4.240 2.578 10.791 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.327 3.819 8.918 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.011 3.584 11.937 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.764 4.117 10.826 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.207 6.041 10.159 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.415 5.519 11.317 1.00 0.00 H new ATOM 219 N LEU A 18 -1.004 1.714 8.827 1.00 0.00 N ATOM 220 CA LEU A 18 -0.352 0.422 8.642 1.00 0.00 C ATOM 221 C LEU A 18 1.162 0.584 8.555 1.00 0.00 C ATOM 222 O LEU A 18 1.669 1.354 7.739 1.00 0.00 O ATOM 223 CB LEU A 18 -0.877 -0.260 7.378 1.00 0.00 C ATOM 224 CG LEU A 18 -0.884 -1.789 7.394 1.00 0.00 C ATOM 225 CD1 LEU A 18 -2.085 -2.309 8.169 1.00 0.00 C ATOM 226 CD2 LEU A 18 -0.885 -2.338 5.975 1.00 0.00 C ATOM 0 H LEU A 18 -0.710 2.433 8.166 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.583 -0.201 9.506 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.895 0.086 7.199 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.274 0.072 6.533 1.00 0.00 H new ATOM 0 HG LEU A 18 0.022 -2.132 7.894 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.073 -3.399 8.170 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.041 -1.945 9.195 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.002 -1.956 7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.890 -3.428 6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.773 -1.986 5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.007 -1.994 5.451 1.00 0.00 H new ATOM 238 N VAL A 19 1.880 -0.148 9.400 1.00 0.00 N ATOM 239 CA VAL A 19 3.337 -0.089 9.417 1.00 0.00 C ATOM 240 C VAL A 19 3.944 -1.486 9.368 1.00 0.00 C ATOM 241 O VAL A 19 3.705 -2.310 10.251 1.00 0.00 O ATOM 242 CB VAL A 19 3.855 0.641 10.671 1.00 0.00 C ATOM 243 CG1 VAL A 19 5.371 0.758 10.632 1.00 0.00 C ATOM 244 CG2 VAL A 19 3.208 2.012 10.794 1.00 0.00 C ATOM 0 H VAL A 19 1.476 -0.790 10.083 1.00 0.00 H new ATOM 0 HA VAL A 19 3.642 0.467 8.531 1.00 0.00 H new ATOM 0 HB VAL A 19 3.583 0.057 11.550 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.719 1.276 11.526 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.812 -0.238 10.595 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.670 1.320 9.747 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.585 2.514 11.685 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.448 2.608 9.913 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.127 1.898 10.872 1.00 0.00 H new ATOM 254 N PHE A 20 4.733 -1.747 8.331 1.00 0.00 N ATOM 255 CA PHE A 20 5.376 -3.045 8.166 1.00 0.00 C ATOM 256 C PHE A 20 6.787 -2.887 7.609 1.00 0.00 C ATOM 257 O PHE A 20 7.163 -1.814 7.136 1.00 0.00 O ATOM 258 CB PHE A 20 4.546 -3.935 7.238 1.00 0.00 C ATOM 259 CG PHE A 20 4.113 -3.245 5.976 1.00 0.00 C ATOM 260 CD1 PHE A 20 4.959 -3.184 4.880 1.00 0.00 C ATOM 261 CD2 PHE A 20 2.862 -2.658 5.885 1.00 0.00 C ATOM 262 CE1 PHE A 20 4.564 -2.551 3.716 1.00 0.00 C ATOM 263 CE2 PHE A 20 2.461 -2.024 4.725 1.00 0.00 C ATOM 264 CZ PHE A 20 3.314 -1.969 3.639 1.00 0.00 C ATOM 0 H PHE A 20 4.942 -1.076 7.592 1.00 0.00 H new ATOM 0 HA PHE A 20 5.443 -3.516 9.147 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.129 -4.819 6.978 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.663 -4.282 7.774 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.938 -3.636 4.936 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.192 -2.696 6.731 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.232 -2.512 2.868 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.482 -1.572 4.667 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.004 -1.472 2.732 1.00 0.00 H new ATOM 274 N SER A 21 7.565 -3.963 7.669 1.00 0.00 N ATOM 275 CA SER A 21 8.937 -3.943 7.174 1.00 0.00 C ATOM 276 C SER A 21 8.985 -4.295 5.691 1.00 0.00 C ATOM 277 O SER A 21 8.052 -4.892 5.152 1.00 0.00 O ATOM 278 CB SER A 21 9.802 -4.922 7.971 1.00 0.00 C ATOM 279 OG SER A 21 10.332 -4.306 9.132 1.00 0.00 O ATOM 0 H SER A 21 7.269 -4.859 8.055 1.00 0.00 H new ATOM 0 HA SER A 21 9.329 -2.934 7.302 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.207 -5.790 8.255 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.616 -5.286 7.345 1.00 0.00 H new ATOM 0 HG SER A 21 10.879 -4.953 9.625 1.00 0.00 H new ATOM 285 N SER A 22 10.079 -3.921 5.035 1.00 0.00 N ATOM 286 CA SER A 22 10.249 -4.193 3.613 1.00 0.00 C ATOM 287 C SER A 22 10.440 -5.686 3.364 1.00 0.00 C ATOM 288 O SER A 22 10.283 -6.165 2.242 1.00 0.00 O ATOM 289 CB SER A 22 11.445 -3.415 3.062 1.00 0.00 C ATOM 290 OG SER A 22 11.563 -3.585 1.660 1.00 0.00 O ATOM 0 H SER A 22 10.861 -3.428 5.466 1.00 0.00 H new ATOM 0 HA SER A 22 9.345 -3.869 3.096 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.332 -2.356 3.295 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.359 -3.753 3.551 1.00 0.00 H new ATOM 0 HG SER A 22 11.048 -2.888 1.202 1.00 0.00 H new ATOM 296 N ASN A 23 10.782 -6.417 4.421 1.00 0.00 N ATOM 297 CA ASN A 23 10.996 -7.856 4.319 1.00 0.00 C ATOM 298 C ASN A 23 9.705 -8.619 4.599 1.00 0.00 C ATOM 299 O ASN A 23 9.720 -9.668 5.244 1.00 0.00 O ATOM 300 CB ASN A 23 12.087 -8.301 5.295 1.00 0.00 C ATOM 301 CG ASN A 23 12.077 -7.494 6.579 1.00 0.00 C ATOM 302 OD1 ASN A 23 11.002 -7.620 7.349 1.00 0.00 O flip ATOM 303 ND2 ASN A 23 13.025 -6.767 6.875 1.00 0.00 N flip ATOM 0 H ASN A 23 10.917 -6.036 5.358 1.00 0.00 H new ATOM 0 HA ASN A 23 11.316 -8.079 3.301 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.951 -9.356 5.531 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.061 -8.204 4.816 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.831 -6.701 6.253 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.005 -6.231 7.742 1.00 0.00 H new ATOM 310 N ILE A 24 8.591 -8.086 4.109 1.00 0.00 N ATOM 311 CA ILE A 24 7.292 -8.718 4.305 1.00 0.00 C ATOM 312 C ILE A 24 7.068 -9.839 3.296 1.00 0.00 C ATOM 313 O ILE A 24 6.524 -10.890 3.631 1.00 0.00 O ATOM 314 CB ILE A 24 6.145 -7.697 4.184 1.00 0.00 C ATOM 315 CG1 ILE A 24 4.797 -8.417 4.112 1.00 0.00 C ATOM 316 CG2 ILE A 24 6.347 -6.816 2.961 1.00 0.00 C ATOM 317 CD1 ILE A 24 3.638 -7.581 4.609 1.00 0.00 C ATOM 0 H ILE A 24 8.562 -7.218 3.574 1.00 0.00 H new ATOM 0 HA ILE A 24 7.293 -9.134 5.313 1.00 0.00 H new ATOM 0 HB ILE A 24 6.149 -7.062 5.070 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.606 -8.711 3.080 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.852 -9.333 4.700 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.528 -6.100 2.889 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.292 -6.280 3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.366 -7.436 2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.715 -8.155 4.529 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.806 -7.308 5.651 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.557 -6.677 4.006 1.00 0.00 H new ATOM 329 N GLY A 25 7.493 -9.607 2.058 1.00 0.00 N ATOM 330 CA GLY A 25 7.332 -10.607 1.018 1.00 0.00 C ATOM 331 C GLY A 25 6.121 -10.344 0.145 1.00 0.00 C ATOM 332 O GLY A 25 5.290 -9.495 0.465 1.00 0.00 O ATOM 0 H GLY A 25 7.946 -8.744 1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.227 -10.628 0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.239 -11.592 1.476 1.00 0.00 H new ATOM 336 N GLN A 26 6.022 -11.074 -0.962 1.00 0.00 N ATOM 337 CA GLN A 26 4.905 -10.914 -1.885 1.00 0.00 C ATOM 338 C GLN A 26 3.691 -11.706 -1.412 1.00 0.00 C ATOM 339 O GLN A 26 2.552 -11.255 -1.545 1.00 0.00 O ATOM 340 CB GLN A 26 5.308 -11.366 -3.290 1.00 0.00 C ATOM 341 CG GLN A 26 4.394 -10.839 -4.384 1.00 0.00 C ATOM 342 CD GLN A 26 4.652 -9.381 -4.708 1.00 0.00 C ATOM 343 OE1 GLN A 26 3.621 -8.554 -4.579 1.00 0.00 O flip ATOM 344 NE2 GLN A 26 5.766 -9.001 -5.071 1.00 0.00 N flip ATOM 0 H GLN A 26 6.702 -11.782 -1.241 1.00 0.00 H new ATOM 0 HA GLN A 26 4.638 -9.858 -1.914 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.328 -11.037 -3.490 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.312 -12.455 -3.325 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.530 -11.437 -5.285 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.356 -10.960 -4.075 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.530 -9.671 -5.157 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.924 -8.016 -5.286 1.00 0.00 H new ATOM 353 N HIS A 27 3.940 -12.889 -0.861 1.00 0.00 N ATOM 354 CA HIS A 27 2.866 -13.744 -0.368 1.00 0.00 C ATOM 355 C HIS A 27 2.219 -13.142 0.875 1.00 0.00 C ATOM 356 O HIS A 27 1.022 -13.312 1.109 1.00 0.00 O ATOM 357 CB HIS A 27 3.402 -15.141 -0.052 1.00 0.00 C ATOM 358 CG HIS A 27 4.319 -15.683 -1.105 1.00 0.00 C ATOM 359 ND1 HIS A 27 5.625 -16.045 -0.851 1.00 0.00 N ATOM 360 CD2 HIS A 27 4.111 -15.926 -2.420 1.00 0.00 C ATOM 361 CE1 HIS A 27 6.181 -16.485 -1.966 1.00 0.00 C ATOM 362 NE2 HIS A 27 5.283 -16.424 -2.932 1.00 0.00 N ATOM 0 H HIS A 27 4.876 -13.278 -0.744 1.00 0.00 H new ATOM 0 HA HIS A 27 2.109 -13.821 -1.149 1.00 0.00 H new ATOM 0 HB2 HIS A 27 3.933 -15.111 0.900 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.562 -15.824 0.073 1.00 0.00 H new ATOM 0 HD2 HIS A 27 3.194 -15.759 -2.965 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.197 -16.835 -2.070 1.00 0.00 H new ATOM 0 HE2 HIS A 27 5.436 -16.702 -3.901 1.00 0.00 H new ATOM 371 N ASP A 28 3.017 -12.437 1.670 1.00 0.00 N ATOM 372 CA ASP A 28 2.522 -11.809 2.889 1.00 0.00 C ATOM 373 C ASP A 28 1.805 -10.500 2.573 1.00 0.00 C ATOM 374 O ASP A 28 0.652 -10.303 2.959 1.00 0.00 O ATOM 375 CB ASP A 28 3.675 -11.552 3.860 1.00 0.00 C ATOM 376 CG ASP A 28 3.195 -11.064 5.213 1.00 0.00 C ATOM 377 OD1 ASP A 28 2.091 -10.485 5.278 1.00 0.00 O ATOM 378 OD2 ASP A 28 3.924 -11.263 6.208 1.00 0.00 O ATOM 0 H ASP A 28 4.010 -12.286 1.492 1.00 0.00 H new ATOM 0 HA ASP A 28 1.809 -12.489 3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.248 -12.470 3.990 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.351 -10.813 3.429 1.00 0.00 H new ATOM 383 N LEU A 29 2.495 -9.608 1.871 1.00 0.00 N ATOM 384 CA LEU A 29 1.925 -8.316 1.504 1.00 0.00 C ATOM 385 C LEU A 29 0.530 -8.486 0.910 1.00 0.00 C ATOM 386 O LEU A 29 -0.323 -7.609 1.045 1.00 0.00 O ATOM 387 CB LEU A 29 2.835 -7.601 0.503 1.00 0.00 C ATOM 388 CG LEU A 29 2.320 -6.266 -0.036 1.00 0.00 C ATOM 389 CD1 LEU A 29 2.237 -5.236 1.079 1.00 0.00 C ATOM 390 CD2 LEU A 29 3.213 -5.766 -1.162 1.00 0.00 C ATOM 0 H LEU A 29 3.450 -9.755 1.544 1.00 0.00 H new ATOM 0 HA LEU A 29 1.844 -7.712 2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.801 -7.430 0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.009 -8.268 -0.341 1.00 0.00 H new ATOM 0 HG LEU A 29 1.317 -6.419 -0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.869 -4.293 0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.556 -5.591 1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.227 -5.085 1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.832 -4.815 -1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.228 -5.629 -0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.220 -6.495 -1.972 1.00 0.00 H new ATOM 402 N ASP A 30 0.306 -9.619 0.255 1.00 0.00 N ATOM 403 CA ASP A 30 -0.987 -9.906 -0.356 1.00 0.00 C ATOM 404 C ASP A 30 -2.124 -9.636 0.624 1.00 0.00 C ATOM 405 O ASP A 30 -3.140 -9.041 0.266 1.00 0.00 O ATOM 406 CB ASP A 30 -1.040 -11.358 -0.831 1.00 0.00 C ATOM 407 CG ASP A 30 -2.122 -11.590 -1.867 1.00 0.00 C ATOM 408 OD1 ASP A 30 -1.958 -11.120 -3.013 1.00 0.00 O ATOM 409 OD2 ASP A 30 -3.133 -12.242 -1.532 1.00 0.00 O ATOM 0 H ASP A 30 1.003 -10.354 0.133 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.109 -9.247 -1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.073 -11.635 -1.252 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.214 -12.011 0.024 1.00 0.00 H new ATOM 414 N THR A 31 -1.946 -10.080 1.865 1.00 0.00 N ATOM 415 CA THR A 31 -2.957 -9.889 2.897 1.00 0.00 C ATOM 416 C THR A 31 -3.083 -8.418 3.278 1.00 0.00 C ATOM 417 O THR A 31 -4.189 -7.901 3.439 1.00 0.00 O ATOM 418 CB THR A 31 -2.632 -10.708 4.161 1.00 0.00 C ATOM 419 OG1 THR A 31 -2.369 -12.071 3.807 1.00 0.00 O ATOM 420 CG2 THR A 31 -3.782 -10.649 5.155 1.00 0.00 C ATOM 0 H THR A 31 -1.111 -10.574 2.179 1.00 0.00 H new ATOM 0 HA THR A 31 -3.902 -10.237 2.481 1.00 0.00 H new ATOM 0 HB THR A 31 -1.747 -10.277 4.629 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.162 -12.585 4.615 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.529 -11.235 6.039 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.960 -9.613 5.444 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.682 -11.057 4.695 1.00 0.00 H new ATOM 428 N LYS A 32 -1.945 -7.748 3.419 1.00 0.00 N ATOM 429 CA LYS A 32 -1.927 -6.335 3.779 1.00 0.00 C ATOM 430 C LYS A 32 -2.672 -5.501 2.742 1.00 0.00 C ATOM 431 O LYS A 32 -3.506 -4.664 3.088 1.00 0.00 O ATOM 432 CB LYS A 32 -0.485 -5.839 3.909 1.00 0.00 C ATOM 433 CG LYS A 32 0.324 -6.588 4.954 1.00 0.00 C ATOM 434 CD LYS A 32 0.203 -5.940 6.323 1.00 0.00 C ATOM 435 CE LYS A 32 1.278 -6.442 7.274 1.00 0.00 C ATOM 436 NZ LYS A 32 0.902 -7.740 7.900 1.00 0.00 N ATOM 0 H LYS A 32 -1.022 -8.161 3.289 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.430 -6.223 4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.011 -5.932 2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.496 -4.779 4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.018 -7.622 5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.372 -6.614 4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.281 -4.857 6.223 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.781 -6.151 6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.217 -6.558 6.732 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.450 -5.699 8.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.660 -8.049 8.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.020 -7.623 8.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.763 -8.456 7.158 1.00 0.00 H new ATOM 450 N SER A 33 -2.366 -5.734 1.470 1.00 0.00 N ATOM 451 CA SER A 33 -3.005 -5.002 0.383 1.00 0.00 C ATOM 452 C SER A 33 -4.523 -5.131 0.460 1.00 0.00 C ATOM 453 O SER A 33 -5.253 -4.171 0.212 1.00 0.00 O ATOM 454 CB SER A 33 -2.505 -5.516 -0.969 1.00 0.00 C ATOM 455 OG SER A 33 -1.157 -5.142 -1.190 1.00 0.00 O ATOM 0 H SER A 33 -1.679 -6.424 1.167 1.00 0.00 H new ATOM 0 HA SER A 33 -2.742 -3.949 0.483 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.595 -6.602 -1.005 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.132 -5.118 -1.767 1.00 0.00 H new ATOM 0 HG SER A 33 -0.861 -5.484 -2.059 1.00 0.00 H new ATOM 461 N LYS A 34 -4.992 -6.326 0.804 1.00 0.00 N ATOM 462 CA LYS A 34 -6.423 -6.583 0.916 1.00 0.00 C ATOM 463 C LYS A 34 -7.024 -5.814 2.088 1.00 0.00 C ATOM 464 O LYS A 34 -8.080 -5.194 1.958 1.00 0.00 O ATOM 465 CB LYS A 34 -6.680 -8.082 1.090 1.00 0.00 C ATOM 466 CG LYS A 34 -6.298 -8.909 -0.125 1.00 0.00 C ATOM 467 CD LYS A 34 -5.998 -10.350 0.254 1.00 0.00 C ATOM 468 CE LYS A 34 -7.267 -11.185 0.320 1.00 0.00 C ATOM 469 NZ LYS A 34 -6.987 -12.589 0.731 1.00 0.00 N ATOM 0 H LYS A 34 -4.402 -7.132 1.010 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.901 -6.242 -0.002 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.120 -8.440 1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.737 -8.238 1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.109 -8.884 -0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.425 -8.469 -0.606 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.313 -10.784 -0.475 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.494 -10.376 1.220 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.963 -10.732 1.026 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.754 -11.182 -0.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.877 -13.125 0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.343 -13.030 0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.545 -12.594 1.672 1.00 0.00 H new ATOM 483 N GLN A 35 -6.345 -5.857 3.229 1.00 0.00 N ATOM 484 CA GLN A 35 -6.814 -5.163 4.423 1.00 0.00 C ATOM 485 C GLN A 35 -7.011 -3.676 4.146 1.00 0.00 C ATOM 486 O GLN A 35 -8.031 -3.096 4.519 1.00 0.00 O ATOM 487 CB GLN A 35 -5.821 -5.353 5.571 1.00 0.00 C ATOM 488 CG GLN A 35 -6.206 -4.605 6.838 1.00 0.00 C ATOM 489 CD GLN A 35 -7.115 -5.416 7.740 1.00 0.00 C ATOM 490 OE1 GLN A 35 -6.714 -6.447 8.281 1.00 0.00 O ATOM 491 NE2 GLN A 35 -8.349 -4.954 7.908 1.00 0.00 N ATOM 0 H GLN A 35 -5.469 -6.365 3.352 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.775 -5.591 4.708 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.739 -6.416 5.797 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.835 -5.019 5.247 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.303 -4.336 7.386 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.704 -3.674 6.569 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.640 -4.095 7.441 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -9.005 -5.458 8.504 1.00 0.00 H new ATOM 500 N ILE A 36 -6.030 -3.067 3.490 1.00 0.00 N ATOM 501 CA ILE A 36 -6.096 -1.648 3.163 1.00 0.00 C ATOM 502 C ILE A 36 -7.289 -1.347 2.261 1.00 0.00 C ATOM 503 O ILE A 36 -8.062 -0.427 2.525 1.00 0.00 O ATOM 504 CB ILE A 36 -4.808 -1.169 2.468 1.00 0.00 C ATOM 505 CG1 ILE A 36 -3.595 -1.416 3.368 1.00 0.00 C ATOM 506 CG2 ILE A 36 -4.916 0.306 2.109 1.00 0.00 C ATOM 507 CD1 ILE A 36 -2.283 -1.449 2.618 1.00 0.00 C ATOM 0 H ILE A 36 -5.180 -3.534 3.174 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.211 -1.112 4.105 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.677 -1.738 1.548 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.551 -0.635 4.127 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.728 -2.362 3.892 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.998 0.629 1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.759 0.456 1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.068 0.891 3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.468 -1.628 3.319 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.307 -2.249 1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.127 -0.494 2.116 1.00 0.00 H new ATOM 519 N GLN A 37 -7.431 -2.131 1.197 1.00 0.00 N ATOM 520 CA GLN A 37 -8.531 -1.949 0.256 1.00 0.00 C ATOM 521 C GLN A 37 -9.864 -1.847 0.990 1.00 0.00 C ATOM 522 O GLN A 37 -10.721 -1.041 0.629 1.00 0.00 O ATOM 523 CB GLN A 37 -8.572 -3.107 -0.742 1.00 0.00 C ATOM 524 CG GLN A 37 -9.124 -2.716 -2.104 1.00 0.00 C ATOM 525 CD GLN A 37 -8.727 -3.691 -3.195 1.00 0.00 C ATOM 526 OE1 GLN A 37 -7.542 -3.905 -3.452 1.00 0.00 O ATOM 527 NE2 GLN A 37 -9.720 -4.288 -3.846 1.00 0.00 N ATOM 0 H GLN A 37 -6.799 -2.897 0.965 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.363 -1.018 -0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.565 -3.504 -0.868 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.182 -3.911 -0.329 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.211 -2.661 -2.049 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.767 -1.720 -2.364 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.688 -4.081 -3.600 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.514 -4.953 -4.591 1.00 0.00 H new ATOM 536 N GLN A 38 -10.030 -2.668 2.022 1.00 0.00 N ATOM 537 CA GLN A 38 -11.260 -2.670 2.805 1.00 0.00 C ATOM 538 C GLN A 38 -11.527 -1.292 3.402 1.00 0.00 C ATOM 539 O GLN A 38 -12.628 -0.755 3.279 1.00 0.00 O ATOM 540 CB GLN A 38 -11.177 -3.714 3.920 1.00 0.00 C ATOM 541 CG GLN A 38 -11.530 -5.120 3.464 1.00 0.00 C ATOM 542 CD GLN A 38 -13.020 -5.396 3.522 1.00 0.00 C ATOM 543 OE1 GLN A 38 -13.642 -5.726 2.512 1.00 0.00 O ATOM 544 NE2 GLN A 38 -13.602 -5.261 4.708 1.00 0.00 N ATOM 0 H GLN A 38 -9.329 -3.340 2.335 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.085 -2.924 2.139 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.167 -3.717 4.329 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.848 -3.424 4.729 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.177 -5.266 2.443 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.006 -5.843 4.089 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.049 -4.986 5.519 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -14.602 -5.433 4.808 1.00 0.00 H new ATOM 553 N TRP A 39 -10.514 -0.725 4.047 1.00 0.00 N ATOM 554 CA TRP A 39 -10.641 0.591 4.663 1.00 0.00 C ATOM 555 C TRP A 39 -10.965 1.652 3.618 1.00 0.00 C ATOM 556 O TRP A 39 -11.833 2.499 3.828 1.00 0.00 O ATOM 557 CB TRP A 39 -9.351 0.958 5.399 1.00 0.00 C ATOM 558 CG TRP A 39 -9.020 0.022 6.521 1.00 0.00 C ATOM 559 CD1 TRP A 39 -9.905 -0.628 7.334 1.00 0.00 C ATOM 560 CD2 TRP A 39 -7.713 -0.366 6.956 1.00 0.00 C ATOM 561 NE1 TRP A 39 -9.225 -1.397 8.248 1.00 0.00 N ATOM 562 CE2 TRP A 39 -7.880 -1.255 8.036 1.00 0.00 C ATOM 563 CE3 TRP A 39 -6.417 -0.052 6.537 1.00 0.00 C ATOM 564 CZ2 TRP A 39 -6.799 -1.829 8.701 1.00 0.00 C ATOM 565 CZ3 TRP A 39 -5.346 -0.622 7.198 1.00 0.00 C ATOM 566 CH2 TRP A 39 -5.542 -1.503 8.270 1.00 0.00 C ATOM 0 H TRP A 39 -9.596 -1.156 4.157 1.00 0.00 H new ATOM 0 HA TRP A 39 -11.461 0.552 5.380 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -8.525 0.967 4.687 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -9.442 1.970 5.794 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -10.980 -0.549 7.268 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.653 -1.979 8.968 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.256 0.625 5.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -6.948 -2.508 9.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -4.341 -0.385 6.883 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.684 -1.933 8.766 1.00 0.00 H new ATOM 577 N ILE A 40 -10.262 1.601 2.491 1.00 0.00 N ATOM 578 CA ILE A 40 -10.477 2.558 1.413 1.00 0.00 C ATOM 579 C ILE A 40 -11.939 2.579 0.980 1.00 0.00 C ATOM 580 O ILE A 40 -12.515 3.644 0.759 1.00 0.00 O ATOM 581 CB ILE A 40 -9.596 2.237 0.191 1.00 0.00 C ATOM 582 CG1 ILE A 40 -8.115 2.388 0.549 1.00 0.00 C ATOM 583 CG2 ILE A 40 -9.959 3.142 -0.976 1.00 0.00 C ATOM 584 CD1 ILE A 40 -7.691 3.822 0.770 1.00 0.00 C ATOM 0 H ILE A 40 -9.539 0.907 2.301 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.201 3.538 1.802 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.775 1.204 -0.107 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.907 1.813 1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.511 1.958 -0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.328 2.903 -1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -11.005 2.990 -1.243 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.805 4.183 -0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.630 3.853 1.020 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.867 4.398 -0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.269 4.250 1.589 1.00 0.00 H new ATOM 596 N GLU A 41 -12.533 1.396 0.862 1.00 0.00 N ATOM 597 CA GLU A 41 -13.928 1.279 0.457 1.00 0.00 C ATOM 598 C GLU A 41 -14.824 2.149 1.334 1.00 0.00 C ATOM 599 O GLU A 41 -15.713 2.843 0.839 1.00 0.00 O ATOM 600 CB GLU A 41 -14.384 -0.180 0.532 1.00 0.00 C ATOM 601 CG GLU A 41 -14.125 -0.964 -0.743 1.00 0.00 C ATOM 602 CD GLU A 41 -15.053 -0.564 -1.874 1.00 0.00 C ATOM 603 OE1 GLU A 41 -15.414 0.629 -1.950 1.00 0.00 O ATOM 604 OE2 GLU A 41 -15.418 -1.444 -2.682 1.00 0.00 O ATOM 0 H GLU A 41 -12.070 0.505 1.041 1.00 0.00 H new ATOM 0 HA GLU A 41 -14.010 1.625 -0.573 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -13.872 -0.670 1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -15.451 -0.208 0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.092 -0.812 -1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -14.243 -2.029 -0.541 1.00 0.00 H new ATOM 611 N LYS A 42 -14.584 2.107 2.640 1.00 0.00 N ATOM 612 CA LYS A 42 -15.367 2.890 3.588 1.00 0.00 C ATOM 613 C LYS A 42 -14.803 4.301 3.725 1.00 0.00 C ATOM 614 O LYS A 42 -15.006 4.966 4.741 1.00 0.00 O ATOM 615 CB LYS A 42 -15.388 2.203 4.955 1.00 0.00 C ATOM 616 CG LYS A 42 -16.360 1.039 5.036 1.00 0.00 C ATOM 617 CD LYS A 42 -16.244 0.306 6.362 1.00 0.00 C ATOM 618 CE LYS A 42 -17.040 -0.990 6.354 1.00 0.00 C ATOM 619 NZ LYS A 42 -17.168 -1.571 7.720 1.00 0.00 N ATOM 0 H LYS A 42 -13.852 1.538 3.066 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.386 2.960 3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.385 1.845 5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.649 2.937 5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.379 1.405 4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.167 0.345 4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.196 0.089 6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.601 0.949 7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -18.033 -0.804 5.944 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.554 -1.711 5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.717 -2.453 7.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.222 -1.772 8.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.655 -0.894 8.341 1.00 0.00 H new ATOM 633 N LYS A 43 -14.095 4.752 2.696 1.00 0.00 N ATOM 634 CA LYS A 43 -13.503 6.085 2.699 1.00 0.00 C ATOM 635 C LYS A 43 -12.686 6.314 3.967 1.00 0.00 C ATOM 636 O LYS A 43 -12.853 7.324 4.651 1.00 0.00 O ATOM 637 CB LYS A 43 -14.595 7.150 2.584 1.00 0.00 C ATOM 638 CG LYS A 43 -15.449 7.014 1.335 1.00 0.00 C ATOM 639 CD LYS A 43 -14.773 7.641 0.127 1.00 0.00 C ATOM 640 CE LYS A 43 -15.793 8.160 -0.875 1.00 0.00 C ATOM 641 NZ LYS A 43 -16.473 9.392 -0.388 1.00 0.00 N ATOM 0 H LYS A 43 -13.917 4.214 1.848 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.837 6.162 1.840 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.239 7.094 3.462 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.131 8.136 2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.643 5.959 1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.416 7.490 1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.131 8.460 0.452 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.130 6.904 -0.355 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.297 8.370 -1.823 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.537 7.387 -1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.934 9.873 -1.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -17.189 9.136 0.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.772 10.029 0.041 1.00 0.00 H new ATOM 655 N TYR A 44 -11.801 5.372 4.273 1.00 0.00 N ATOM 656 CA TYR A 44 -10.959 5.471 5.459 1.00 0.00 C ATOM 657 C TYR A 44 -9.497 5.679 5.073 1.00 0.00 C ATOM 658 O TYR A 44 -8.863 4.794 4.497 1.00 0.00 O ATOM 659 CB TYR A 44 -11.098 4.211 6.316 1.00 0.00 C ATOM 660 CG TYR A 44 -12.441 4.089 6.998 1.00 0.00 C ATOM 661 CD1 TYR A 44 -13.031 5.185 7.616 1.00 0.00 C ATOM 662 CD2 TYR A 44 -13.120 2.877 7.027 1.00 0.00 C ATOM 663 CE1 TYR A 44 -14.258 5.077 8.242 1.00 0.00 C ATOM 664 CE2 TYR A 44 -14.348 2.760 7.649 1.00 0.00 C ATOM 665 CZ TYR A 44 -14.913 3.863 8.255 1.00 0.00 C ATOM 666 OH TYR A 44 -16.136 3.751 8.877 1.00 0.00 O ATOM 0 H TYR A 44 -11.648 4.531 3.716 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.290 6.334 6.037 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.938 3.335 5.688 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.314 4.208 7.073 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.522 6.137 7.607 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -12.680 2.011 6.555 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -14.702 5.938 8.719 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -14.863 1.811 7.661 1.00 0.00 H new ATOM 0 HH TYR A 44 -16.146 4.309 9.682 1.00 0.00 H new ATOM 676 N HIS A 45 -8.968 6.855 5.396 1.00 0.00 N ATOM 677 CA HIS A 45 -7.581 7.180 5.085 1.00 0.00 C ATOM 678 C HIS A 45 -6.631 6.162 5.709 1.00 0.00 C ATOM 679 O HIS A 45 -6.690 5.898 6.910 1.00 0.00 O ATOM 680 CB HIS A 45 -7.240 8.585 5.583 1.00 0.00 C ATOM 681 CG HIS A 45 -7.540 9.662 4.586 1.00 0.00 C ATOM 682 ND1 HIS A 45 -6.834 9.819 3.412 1.00 0.00 N ATOM 683 CD2 HIS A 45 -8.477 10.639 4.594 1.00 0.00 C ATOM 684 CE1 HIS A 45 -7.323 10.846 2.741 1.00 0.00 C ATOM 685 NE2 HIS A 45 -8.321 11.361 3.436 1.00 0.00 N ATOM 0 H HIS A 45 -9.479 7.598 5.873 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.460 7.147 4.002 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -7.798 8.783 6.498 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.181 8.624 5.840 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.210 10.817 5.367 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.967 11.204 1.786 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.884 12.164 3.158 1.00 0.00 H new ATOM 694 N VAL A 46 -5.757 5.593 4.886 1.00 0.00 N ATOM 695 CA VAL A 46 -4.794 4.604 5.357 1.00 0.00 C ATOM 696 C VAL A 46 -3.364 5.096 5.167 1.00 0.00 C ATOM 697 O VAL A 46 -2.934 5.363 4.045 1.00 0.00 O ATOM 698 CB VAL A 46 -4.966 3.260 4.625 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.049 2.205 5.224 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.417 2.808 4.675 1.00 0.00 C ATOM 0 H VAL A 46 -5.695 5.800 3.889 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.986 4.456 6.420 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.688 3.397 3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.184 1.262 4.694 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.012 2.528 5.130 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.292 2.067 6.278 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.520 1.857 4.153 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.725 2.687 5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.048 3.556 4.194 1.00 0.00 H new ATOM 710 N GLN A 47 -2.631 5.211 6.270 1.00 0.00 N ATOM 711 CA GLN A 47 -1.248 5.671 6.223 1.00 0.00 C ATOM 712 C GLN A 47 -0.282 4.492 6.263 1.00 0.00 C ATOM 713 O GLN A 47 -0.095 3.864 7.305 1.00 0.00 O ATOM 714 CB GLN A 47 -0.964 6.618 7.390 1.00 0.00 C ATOM 715 CG GLN A 47 0.508 6.965 7.548 1.00 0.00 C ATOM 716 CD GLN A 47 0.865 7.362 8.966 1.00 0.00 C ATOM 717 OE1 GLN A 47 1.615 6.663 9.649 1.00 0.00 O ATOM 718 NE2 GLN A 47 0.329 8.490 9.419 1.00 0.00 N ATOM 0 H GLN A 47 -2.971 4.992 7.206 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.101 6.207 5.285 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.532 7.537 7.248 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.322 6.162 8.313 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.113 6.108 7.251 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.759 7.782 6.872 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.287 9.039 8.819 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.534 8.807 10.366 1.00 0.00 H new ATOM 727 N VAL A 48 0.331 4.197 5.120 1.00 0.00 N ATOM 728 CA VAL A 48 1.279 3.094 5.024 1.00 0.00 C ATOM 729 C VAL A 48 2.682 3.539 5.425 1.00 0.00 C ATOM 730 O VAL A 48 3.080 4.677 5.174 1.00 0.00 O ATOM 731 CB VAL A 48 1.324 2.515 3.597 1.00 0.00 C ATOM 732 CG1 VAL A 48 2.371 1.416 3.500 1.00 0.00 C ATOM 733 CG2 VAL A 48 -0.046 1.995 3.191 1.00 0.00 C ATOM 0 H VAL A 48 0.187 4.707 4.248 1.00 0.00 H new ATOM 0 HA VAL A 48 0.936 2.321 5.711 1.00 0.00 H new ATOM 0 HB VAL A 48 1.604 3.312 2.908 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.389 1.019 2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.351 1.824 3.747 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.125 0.616 4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.004 1.590 2.180 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.357 1.211 3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.768 2.811 3.219 1.00 0.00 H new ATOM 743 N THR A 49 3.428 2.633 6.048 1.00 0.00 N ATOM 744 CA THR A 49 4.787 2.931 6.484 1.00 0.00 C ATOM 745 C THR A 49 5.701 1.725 6.299 1.00 0.00 C ATOM 746 O THR A 49 5.334 0.599 6.634 1.00 0.00 O ATOM 747 CB THR A 49 4.820 3.363 7.963 1.00 0.00 C ATOM 748 OG1 THR A 49 3.949 4.481 8.166 1.00 0.00 O ATOM 749 CG2 THR A 49 6.233 3.731 8.387 1.00 0.00 C ATOM 0 H THR A 49 3.114 1.686 6.262 1.00 0.00 H new ATOM 0 HA THR A 49 5.145 3.753 5.864 1.00 0.00 H new ATOM 0 HB THR A 49 4.482 2.524 8.572 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.974 4.749 9.108 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.232 4.033 9.434 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.888 2.869 8.258 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.594 4.556 7.772 1.00 0.00 H new ATOM 757 N ILE A 50 6.892 1.969 5.764 1.00 0.00 N ATOM 758 CA ILE A 50 7.859 0.902 5.536 1.00 0.00 C ATOM 759 C ILE A 50 9.149 1.155 6.309 1.00 0.00 C ATOM 760 O ILE A 50 9.786 2.197 6.152 1.00 0.00 O ATOM 761 CB ILE A 50 8.192 0.755 4.039 1.00 0.00 C ATOM 762 CG1 ILE A 50 6.914 0.514 3.232 1.00 0.00 C ATOM 763 CG2 ILE A 50 9.181 -0.381 3.826 1.00 0.00 C ATOM 764 CD1 ILE A 50 7.132 0.534 1.735 1.00 0.00 C ATOM 0 H ILE A 50 7.211 2.895 5.480 1.00 0.00 H new ATOM 0 HA ILE A 50 7.400 -0.021 5.891 1.00 0.00 H new ATOM 0 HB ILE A 50 8.651 1.680 3.691 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.490 -0.449 3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.179 1.275 3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.407 -0.473 2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 50 10.099 -0.172 4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.747 -1.314 4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.184 0.356 1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.527 1.506 1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.843 -0.246 1.460 1.00 0.00 H new ATOM 776 N LYS A 51 9.530 0.195 7.144 1.00 0.00 N ATOM 777 CA LYS A 51 10.746 0.310 7.940 1.00 0.00 C ATOM 778 C LYS A 51 11.965 -0.142 7.141 1.00 0.00 C ATOM 779 O LYS A 51 11.972 -1.230 6.565 1.00 0.00 O ATOM 780 CB LYS A 51 10.624 -0.522 9.219 1.00 0.00 C ATOM 781 CG LYS A 51 9.552 -0.020 10.171 1.00 0.00 C ATOM 782 CD LYS A 51 9.885 1.363 10.705 1.00 0.00 C ATOM 783 CE LYS A 51 9.318 1.573 12.101 1.00 0.00 C ATOM 784 NZ LYS A 51 7.896 2.013 12.061 1.00 0.00 N ATOM 0 H LYS A 51 9.013 -0.673 7.287 1.00 0.00 H new ATOM 0 HA LYS A 51 10.877 1.359 8.207 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.405 -1.555 8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.584 -0.523 9.735 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.592 0.009 9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.447 -0.717 11.003 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.967 1.495 10.727 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.485 2.120 10.031 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.395 0.645 12.668 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.914 2.319 12.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.812 2.956 12.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.573 2.053 11.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.309 1.338 12.590 1.00 0.00 H new ATOM 798 N ARG A 52 12.993 0.699 7.113 1.00 0.00 N ATOM 799 CA ARG A 52 14.217 0.385 6.385 1.00 0.00 C ATOM 800 C ARG A 52 15.430 0.451 7.308 1.00 0.00 C ATOM 801 O ARG A 52 15.376 1.056 8.379 1.00 0.00 O ATOM 802 CB ARG A 52 14.401 1.352 5.214 1.00 0.00 C ATOM 803 CG ARG A 52 13.094 1.783 4.569 1.00 0.00 C ATOM 804 CD ARG A 52 13.299 2.204 3.122 1.00 0.00 C ATOM 805 NE ARG A 52 14.207 3.342 3.007 1.00 0.00 N ATOM 806 CZ ARG A 52 13.884 4.579 3.366 1.00 0.00 C ATOM 807 NH1 ARG A 52 12.681 4.837 3.861 1.00 0.00 N ATOM 808 NH2 ARG A 52 14.765 5.562 3.231 1.00 0.00 N ATOM 0 H ARG A 52 13.003 1.603 7.586 1.00 0.00 H new ATOM 0 HA ARG A 52 14.130 -0.631 5.999 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.932 2.237 5.565 1.00 0.00 H new ATOM 0 HB3 ARG A 52 15.030 0.880 4.460 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.378 0.963 4.612 1.00 0.00 H new ATOM 0 HG3 ARG A 52 12.665 2.611 5.133 1.00 0.00 H new ATOM 0 HD2 ARG A 52 13.697 1.364 2.553 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.337 2.462 2.680 1.00 0.00 H new ATOM 0 HE ARG A 52 15.141 3.178 2.630 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.001 4.084 3.967 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.436 5.788 4.136 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.691 5.368 2.851 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.516 6.512 3.507 1.00 0.00 H new ATOM 822 N ARG A 53 16.523 -0.176 6.886 1.00 0.00 N ATOM 823 CA ARG A 53 17.749 -0.190 7.675 1.00 0.00 C ATOM 824 C ARG A 53 18.915 0.390 6.879 1.00 0.00 C ATOM 825 O ARG A 53 18.756 0.788 5.725 1.00 0.00 O ATOM 826 CB ARG A 53 18.080 -1.617 8.117 1.00 0.00 C ATOM 827 CG ARG A 53 16.862 -2.419 8.544 1.00 0.00 C ATOM 828 CD ARG A 53 16.545 -2.210 10.017 1.00 0.00 C ATOM 829 NE ARG A 53 16.091 -0.850 10.291 1.00 0.00 N ATOM 830 CZ ARG A 53 15.702 -0.433 11.491 1.00 0.00 C ATOM 831 NH1 ARG A 53 15.713 -1.266 12.522 1.00 0.00 N ATOM 832 NH2 ARG A 53 15.303 0.821 11.661 1.00 0.00 N ATOM 0 H ARG A 53 16.585 -0.681 6.002 1.00 0.00 H new ATOM 0 HA ARG A 53 17.590 0.429 8.558 1.00 0.00 H new ATOM 0 HB2 ARG A 53 18.578 -2.136 7.298 1.00 0.00 H new ATOM 0 HB3 ARG A 53 18.787 -1.577 8.945 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.003 -2.126 7.941 1.00 0.00 H new ATOM 0 HG3 ARG A 53 17.038 -3.478 8.355 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.776 -2.918 10.326 1.00 0.00 H new ATOM 0 HD3 ARG A 53 17.433 -2.423 10.613 1.00 0.00 H new ATOM 0 HE ARG A 53 16.071 -0.183 9.519 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.021 -2.230 12.395 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.414 -0.943 13.442 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.295 1.465 10.870 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.004 1.141 12.582 1.00 0.00 H new ATOM 846 N LYS A 54 20.086 0.437 7.504 1.00 0.00 N ATOM 847 CA LYS A 54 21.279 0.967 6.856 1.00 0.00 C ATOM 848 C LYS A 54 21.792 0.005 5.789 1.00 0.00 C ATOM 849 O LYS A 54 22.290 0.429 4.745 1.00 0.00 O ATOM 850 CB LYS A 54 22.375 1.227 7.892 1.00 0.00 C ATOM 851 CG LYS A 54 23.297 2.377 7.527 1.00 0.00 C ATOM 852 CD LYS A 54 22.806 3.692 8.108 1.00 0.00 C ATOM 853 CE LYS A 54 21.880 4.417 7.143 1.00 0.00 C ATOM 854 NZ LYS A 54 21.446 5.738 7.677 1.00 0.00 N ATOM 0 H LYS A 54 20.234 0.114 8.460 1.00 0.00 H new ATOM 0 HA LYS A 54 21.012 1.908 6.374 1.00 0.00 H new ATOM 0 HB2 LYS A 54 21.910 1.437 8.855 1.00 0.00 H new ATOM 0 HB3 LYS A 54 22.969 0.321 8.015 1.00 0.00 H new ATOM 0 HG2 LYS A 54 24.302 2.169 7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 54 23.364 2.460 6.442 1.00 0.00 H new ATOM 0 HD2 LYS A 54 22.282 3.504 9.045 1.00 0.00 H new ATOM 0 HD3 LYS A 54 23.659 4.328 8.343 1.00 0.00 H new ATOM 0 HE2 LYS A 54 22.389 4.560 6.190 1.00 0.00 H new ATOM 0 HE3 LYS A 54 21.004 3.799 6.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 20.817 6.200 6.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 20.938 5.600 8.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 22.280 6.337 7.840 1.00 0.00 H new ATOM 868 N ASP A 55 21.666 -1.290 6.056 1.00 0.00 N ATOM 869 CA ASP A 55 22.114 -2.312 5.118 1.00 0.00 C ATOM 870 C ASP A 55 20.994 -3.304 4.819 1.00 0.00 C ATOM 871 O ASP A 55 21.243 -4.490 4.607 1.00 0.00 O ATOM 872 CB ASP A 55 23.331 -3.050 5.678 1.00 0.00 C ATOM 873 CG ASP A 55 24.239 -3.580 4.586 1.00 0.00 C ATOM 874 OD1 ASP A 55 23.737 -3.850 3.475 1.00 0.00 O ATOM 875 OD2 ASP A 55 25.453 -3.723 4.842 1.00 0.00 O ATOM 0 H ASP A 55 21.257 -1.657 6.915 1.00 0.00 H new ATOM 0 HA ASP A 55 22.395 -1.818 4.188 1.00 0.00 H new ATOM 0 HB2 ASP A 55 23.897 -2.376 6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 55 22.995 -3.879 6.301 1.00 0.00 H new ATOM 880 N ALA A 56 19.761 -2.809 4.804 1.00 0.00 N ATOM 881 CA ALA A 56 18.603 -3.651 4.530 1.00 0.00 C ATOM 882 C ALA A 56 18.590 -4.111 3.076 1.00 0.00 C ATOM 883 O ALA A 56 19.412 -3.674 2.271 1.00 0.00 O ATOM 884 CB ALA A 56 17.318 -2.907 4.861 1.00 0.00 C ATOM 0 H ALA A 56 19.538 -1.829 4.978 1.00 0.00 H new ATOM 0 HA ALA A 56 18.671 -4.535 5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.462 -3.548 4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 56 17.317 -2.634 5.916 1.00 0.00 H new ATOM 0 HB3 ALA A 56 17.253 -2.005 4.253 1.00 0.00 H new ATOM 890 N GLU A 57 17.654 -4.995 2.748 1.00 0.00 N ATOM 891 CA GLU A 57 17.536 -5.515 1.390 1.00 0.00 C ATOM 892 C GLU A 57 17.878 -4.438 0.365 1.00 0.00 C ATOM 893 O GLU A 57 18.611 -4.689 -0.592 1.00 0.00 O ATOM 894 CB GLU A 57 16.121 -6.040 1.142 1.00 0.00 C ATOM 895 CG GLU A 57 15.031 -5.145 1.710 1.00 0.00 C ATOM 896 CD GLU A 57 13.735 -5.891 1.958 1.00 0.00 C ATOM 897 OE1 GLU A 57 13.210 -6.501 1.003 1.00 0.00 O ATOM 898 OE2 GLU A 57 13.245 -5.864 3.107 1.00 0.00 O ATOM 0 H GLU A 57 16.966 -5.366 3.403 1.00 0.00 H new ATOM 0 HA GLU A 57 18.244 -6.336 1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.966 -6.150 0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.029 -7.033 1.581 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.378 -4.705 2.645 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.846 -4.322 1.020 1.00 0.00 H new ATOM 905 N GLN A 58 17.341 -3.240 0.571 1.00 0.00 N ATOM 906 CA GLN A 58 17.589 -2.126 -0.336 1.00 0.00 C ATOM 907 C GLN A 58 17.214 -0.799 0.316 1.00 0.00 C ATOM 908 O GLN A 58 16.759 -0.765 1.459 1.00 0.00 O ATOM 909 CB GLN A 58 16.799 -2.311 -1.633 1.00 0.00 C ATOM 910 CG GLN A 58 15.498 -3.075 -1.449 1.00 0.00 C ATOM 911 CD GLN A 58 14.395 -2.216 -0.863 1.00 0.00 C ATOM 912 OE1 GLN A 58 14.473 -0.987 -0.881 1.00 0.00 O ATOM 913 NE2 GLN A 58 13.357 -2.859 -0.340 1.00 0.00 N ATOM 0 H GLN A 58 16.732 -3.016 1.358 1.00 0.00 H new ATOM 0 HA GLN A 58 18.654 -2.109 -0.567 1.00 0.00 H new ATOM 0 HB2 GLN A 58 16.579 -1.331 -2.057 1.00 0.00 H new ATOM 0 HB3 GLN A 58 17.421 -2.839 -2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.173 -3.469 -2.412 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.673 -3.931 -0.797 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.333 -3.879 -0.346 1.00 0.00 H new ATOM 0 HE22 GLN A 58 12.584 -2.333 0.068 1.00 0.00 H new ATOM 922 N SER A 59 17.407 0.292 -0.419 1.00 0.00 N ATOM 923 CA SER A 59 17.093 1.622 0.090 1.00 0.00 C ATOM 924 C SER A 59 15.739 2.096 -0.429 1.00 0.00 C ATOM 925 O SER A 59 15.092 1.411 -1.221 1.00 0.00 O ATOM 926 CB SER A 59 18.183 2.616 -0.314 1.00 0.00 C ATOM 927 OG SER A 59 19.441 2.236 0.216 1.00 0.00 O ATOM 0 H SER A 59 17.779 0.281 -1.369 1.00 0.00 H new ATOM 0 HA SER A 59 17.047 1.567 1.178 1.00 0.00 H new ATOM 0 HB2 SER A 59 18.244 2.671 -1.401 1.00 0.00 H new ATOM 0 HB3 SER A 59 17.921 3.612 0.042 1.00 0.00 H new ATOM 0 HG SER A 59 20.121 2.886 -0.058 1.00 0.00 H new ATOM 933 N GLU A 60 15.318 3.273 0.024 1.00 0.00 N ATOM 934 CA GLU A 60 14.040 3.838 -0.394 1.00 0.00 C ATOM 935 C GLU A 60 13.831 3.660 -1.895 1.00 0.00 C ATOM 936 O GLU A 60 12.709 3.452 -2.355 1.00 0.00 O ATOM 937 CB GLU A 60 13.972 5.323 -0.032 1.00 0.00 C ATOM 938 CG GLU A 60 15.094 6.150 -0.637 1.00 0.00 C ATOM 939 CD GLU A 60 15.354 7.431 0.130 1.00 0.00 C ATOM 940 OE1 GLU A 60 14.429 7.909 0.820 1.00 0.00 O ATOM 941 OE2 GLU A 60 16.484 7.957 0.041 1.00 0.00 O ATOM 0 H GLU A 60 15.842 3.853 0.679 1.00 0.00 H new ATOM 0 HA GLU A 60 13.247 3.306 0.131 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.015 5.726 -0.365 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.001 5.425 1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.007 5.554 -0.662 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.844 6.394 -1.670 1.00 0.00 H new ATOM 948 N GLU A 61 14.920 3.743 -2.653 1.00 0.00 N ATOM 949 CA GLU A 61 14.856 3.593 -4.102 1.00 0.00 C ATOM 950 C GLU A 61 13.937 2.437 -4.488 1.00 0.00 C ATOM 951 O GLU A 61 12.896 2.640 -5.112 1.00 0.00 O ATOM 952 CB GLU A 61 16.255 3.360 -4.675 1.00 0.00 C ATOM 953 CG GLU A 61 17.032 4.642 -4.923 1.00 0.00 C ATOM 954 CD GLU A 61 17.612 5.228 -3.650 1.00 0.00 C ATOM 955 OE1 GLU A 61 16.905 6.012 -2.983 1.00 0.00 O ATOM 956 OE2 GLU A 61 18.771 4.902 -3.320 1.00 0.00 O ATOM 0 H GLU A 61 15.857 3.913 -2.288 1.00 0.00 H new ATOM 0 HA GLU A 61 14.449 4.514 -4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 61 16.820 2.730 -3.988 1.00 0.00 H new ATOM 0 HB3 GLU A 61 16.168 2.811 -5.612 1.00 0.00 H new ATOM 0 HG2 GLU A 61 17.839 4.443 -5.628 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.375 5.376 -5.390 1.00 0.00 H new ATOM 963 N GLU A 62 14.331 1.224 -4.112 1.00 0.00 N ATOM 964 CA GLU A 62 13.544 0.036 -4.420 1.00 0.00 C ATOM 965 C GLU A 62 12.253 0.013 -3.607 1.00 0.00 C ATOM 966 O GLU A 62 11.203 -0.405 -4.098 1.00 0.00 O ATOM 967 CB GLU A 62 14.358 -1.229 -4.141 1.00 0.00 C ATOM 968 CG GLU A 62 15.259 -1.639 -5.293 1.00 0.00 C ATOM 969 CD GLU A 62 14.558 -2.542 -6.290 1.00 0.00 C ATOM 970 OE1 GLU A 62 13.737 -3.378 -5.858 1.00 0.00 O ATOM 971 OE2 GLU A 62 14.830 -2.411 -7.502 1.00 0.00 O ATOM 0 H GLU A 62 15.190 1.039 -3.594 1.00 0.00 H new ATOM 0 HA GLU A 62 13.286 0.067 -5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.969 -1.069 -3.252 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.675 -2.048 -3.916 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.616 -0.746 -5.806 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.136 -2.152 -4.898 1.00 0.00 H new ATOM 978 N THR A 63 12.338 0.464 -2.360 1.00 0.00 N ATOM 979 CA THR A 63 11.178 0.494 -1.477 1.00 0.00 C ATOM 980 C THR A 63 10.021 1.255 -2.115 1.00 0.00 C ATOM 981 O THR A 63 8.861 1.047 -1.762 1.00 0.00 O ATOM 982 CB THR A 63 11.520 1.143 -0.123 1.00 0.00 C ATOM 983 OG1 THR A 63 12.744 0.602 0.385 1.00 0.00 O ATOM 984 CG2 THR A 63 10.402 0.915 0.884 1.00 0.00 C ATOM 0 H THR A 63 13.198 0.814 -1.938 1.00 0.00 H new ATOM 0 HA THR A 63 10.880 -0.541 -1.310 1.00 0.00 H new ATOM 0 HB THR A 63 11.635 2.216 -0.278 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.072 -0.093 -0.223 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.666 1.382 1.833 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.478 1.354 0.508 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.260 -0.155 1.034 1.00 0.00 H new ATOM 992 N GLU A 64 10.346 2.136 -3.056 1.00 0.00 N ATOM 993 CA GLU A 64 9.331 2.928 -3.742 1.00 0.00 C ATOM 994 C GLU A 64 8.457 2.043 -4.626 1.00 0.00 C ATOM 995 O GLU A 64 7.312 2.383 -4.923 1.00 0.00 O ATOM 996 CB GLU A 64 9.991 4.019 -4.588 1.00 0.00 C ATOM 997 CG GLU A 64 10.206 5.323 -3.839 1.00 0.00 C ATOM 998 CD GLU A 64 11.399 6.103 -4.356 1.00 0.00 C ATOM 999 OE1 GLU A 64 11.282 6.721 -5.435 1.00 0.00 O ATOM 1000 OE2 GLU A 64 12.449 6.097 -3.681 1.00 0.00 O ATOM 0 H GLU A 64 11.302 2.319 -3.360 1.00 0.00 H new ATOM 0 HA GLU A 64 8.699 3.395 -2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.953 3.655 -4.950 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.373 4.211 -5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.310 5.938 -3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.347 5.110 -2.779 1.00 0.00 H new ATOM 1007 N GLU A 65 9.006 0.906 -5.043 1.00 0.00 N ATOM 1008 CA GLU A 65 8.276 -0.027 -5.894 1.00 0.00 C ATOM 1009 C GLU A 65 7.073 -0.609 -5.157 1.00 0.00 C ATOM 1010 O GLU A 65 5.942 -0.532 -5.636 1.00 0.00 O ATOM 1011 CB GLU A 65 9.198 -1.156 -6.359 1.00 0.00 C ATOM 1012 CG GLU A 65 10.102 -0.765 -7.516 1.00 0.00 C ATOM 1013 CD GLU A 65 10.577 0.672 -7.427 1.00 0.00 C ATOM 1014 OE1 GLU A 65 9.731 1.584 -7.533 1.00 0.00 O ATOM 1015 OE2 GLU A 65 11.795 0.884 -7.250 1.00 0.00 O ATOM 0 H GLU A 65 9.953 0.609 -4.806 1.00 0.00 H new ATOM 0 HA GLU A 65 7.916 0.521 -6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.815 -1.479 -5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.591 -2.011 -6.656 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.966 -1.429 -7.537 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.567 -0.909 -8.455 1.00 0.00 H new ATOM 1022 N ILE A 66 7.327 -1.190 -3.989 1.00 0.00 N ATOM 1023 CA ILE A 66 6.266 -1.784 -3.186 1.00 0.00 C ATOM 1024 C ILE A 66 4.991 -0.950 -3.254 1.00 0.00 C ATOM 1025 O ILE A 66 3.936 -1.441 -3.654 1.00 0.00 O ATOM 1026 CB ILE A 66 6.691 -1.932 -1.713 1.00 0.00 C ATOM 1027 CG1 ILE A 66 7.967 -2.770 -1.609 1.00 0.00 C ATOM 1028 CG2 ILE A 66 5.570 -2.561 -0.899 1.00 0.00 C ATOM 1029 CD1 ILE A 66 8.205 -3.339 -0.228 1.00 0.00 C ATOM 0 H ILE A 66 8.258 -1.262 -3.578 1.00 0.00 H new ATOM 0 HA ILE A 66 6.072 -2.773 -3.602 1.00 0.00 H new ATOM 0 HB ILE A 66 6.896 -0.941 -1.308 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.914 -3.589 -2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.821 -2.154 -1.891 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.885 -2.659 0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.684 -1.929 -0.951 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.337 -3.547 -1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.126 -3.921 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.291 -2.525 0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.370 -3.982 0.050 1.00 0.00 H new ATOM 1041 N PHE A 67 5.098 0.316 -2.862 1.00 0.00 N ATOM 1042 CA PHE A 67 3.954 1.220 -2.880 1.00 0.00 C ATOM 1043 C PHE A 67 3.052 0.933 -4.077 1.00 0.00 C ATOM 1044 O PHE A 67 1.831 0.864 -3.945 1.00 0.00 O ATOM 1045 CB PHE A 67 4.427 2.675 -2.921 1.00 0.00 C ATOM 1046 CG PHE A 67 4.886 3.193 -1.588 1.00 0.00 C ATOM 1047 CD1 PHE A 67 4.028 3.203 -0.501 1.00 0.00 C ATOM 1048 CD2 PHE A 67 6.177 3.670 -1.423 1.00 0.00 C ATOM 1049 CE1 PHE A 67 4.448 3.681 0.726 1.00 0.00 C ATOM 1050 CE2 PHE A 67 6.602 4.149 -0.198 1.00 0.00 C ATOM 1051 CZ PHE A 67 5.737 4.153 0.879 1.00 0.00 C ATOM 0 H PHE A 67 5.964 0.738 -2.528 1.00 0.00 H new ATOM 0 HA PHE A 67 3.380 1.057 -1.968 1.00 0.00 H new ATOM 0 HB2 PHE A 67 5.244 2.763 -3.637 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.614 3.303 -3.286 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.020 2.833 -0.613 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.858 3.667 -2.261 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.768 3.685 1.565 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.610 4.520 -0.083 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.068 4.524 1.838 1.00 0.00 H new ATOM 1061 N ASN A 68 3.664 0.768 -5.245 1.00 0.00 N ATOM 1062 CA ASN A 68 2.917 0.489 -6.466 1.00 0.00 C ATOM 1063 C ASN A 68 2.264 -0.888 -6.402 1.00 0.00 C ATOM 1064 O ASN A 68 1.118 -1.061 -6.816 1.00 0.00 O ATOM 1065 CB ASN A 68 3.840 0.572 -7.684 1.00 0.00 C ATOM 1066 CG ASN A 68 4.205 2.001 -8.036 1.00 0.00 C ATOM 1067 OD1 ASN A 68 3.364 2.772 -8.498 1.00 0.00 O ATOM 1068 ND2 ASN A 68 5.465 2.361 -7.819 1.00 0.00 N ATOM 0 H ASN A 68 4.675 0.823 -5.372 1.00 0.00 H new ATOM 0 HA ASN A 68 2.132 1.239 -6.561 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.750 0.006 -7.486 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.352 0.103 -8.539 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.769 3.310 -8.037 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.129 1.689 -7.434 1.00 0.00 H new ATOM 1075 N GLN A 69 3.001 -1.863 -5.881 1.00 0.00 N ATOM 1076 CA GLN A 69 2.493 -3.225 -5.763 1.00 0.00 C ATOM 1077 C GLN A 69 1.166 -3.248 -5.011 1.00 0.00 C ATOM 1078 O GLN A 69 0.306 -4.087 -5.277 1.00 0.00 O ATOM 1079 CB GLN A 69 3.513 -4.112 -5.048 1.00 0.00 C ATOM 1080 CG GLN A 69 4.853 -4.196 -5.763 1.00 0.00 C ATOM 1081 CD GLN A 69 5.571 -5.506 -5.505 1.00 0.00 C ATOM 1082 OE1 GLN A 69 5.383 -6.483 -6.231 1.00 0.00 O ATOM 1083 NE2 GLN A 69 6.399 -5.534 -4.467 1.00 0.00 N ATOM 0 H GLN A 69 3.952 -1.736 -5.534 1.00 0.00 H new ATOM 0 HA GLN A 69 2.327 -3.612 -6.768 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.672 -3.729 -4.040 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.101 -5.116 -4.946 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.697 -4.077 -6.835 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.486 -3.369 -5.439 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.525 -4.701 -3.892 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.909 -6.389 -4.245 1.00 0.00 H new ATOM 1092 N ILE A 70 1.008 -2.321 -4.072 1.00 0.00 N ATOM 1093 CA ILE A 70 -0.214 -2.235 -3.282 1.00 0.00 C ATOM 1094 C ILE A 70 -1.312 -1.505 -4.047 1.00 0.00 C ATOM 1095 O ILE A 70 -2.479 -1.899 -4.008 1.00 0.00 O ATOM 1096 CB ILE A 70 0.031 -1.514 -1.943 1.00 0.00 C ATOM 1097 CG1 ILE A 70 1.146 -2.210 -1.161 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -1.251 -1.470 -1.124 1.00 0.00 C ATOM 1099 CD1 ILE A 70 1.792 -1.327 -0.115 1.00 0.00 C ATOM 0 H ILE A 70 1.711 -1.619 -3.840 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.533 -3.258 -3.081 1.00 0.00 H new ATOM 0 HB ILE A 70 0.343 -0.490 -2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.739 -3.097 -0.675 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.910 -2.551 -1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.063 -0.958 -0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.020 -0.934 -1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.590 -2.486 -0.924 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.573 -1.886 0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.229 -0.452 -0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.040 -1.007 0.606 1.00 0.00 H new ATOM 1111 N LEU A 71 -0.932 -0.440 -4.744 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.885 0.346 -5.521 1.00 0.00 C ATOM 1113 C LEU A 71 -2.232 -0.357 -6.829 1.00 0.00 C ATOM 1114 O LEU A 71 -3.177 0.026 -7.518 1.00 0.00 O ATOM 1115 CB LEU A 71 -1.313 1.735 -5.811 1.00 0.00 C ATOM 1116 CG LEU A 71 -2.319 2.793 -6.267 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -2.906 3.522 -5.069 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -1.661 3.777 -7.223 1.00 0.00 C ATOM 0 H LEU A 71 0.029 -0.101 -4.787 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.797 0.451 -4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.818 2.098 -4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.546 1.637 -6.579 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.131 2.292 -6.795 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.620 4.271 -5.413 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.414 2.807 -4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.106 4.011 -4.513 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.391 4.523 -7.537 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.830 4.272 -6.721 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.290 3.242 -8.097 1.00 0.00 H new ATOM 1130 N GLN A 72 -1.463 -1.389 -7.163 1.00 0.00 N ATOM 1131 CA GLN A 72 -1.691 -2.146 -8.387 1.00 0.00 C ATOM 1132 C GLN A 72 -2.952 -2.996 -8.275 1.00 0.00 C ATOM 1133 O GLN A 72 -3.491 -3.463 -9.279 1.00 0.00 O ATOM 1134 CB GLN A 72 -0.486 -3.038 -8.692 1.00 0.00 C ATOM 1135 CG GLN A 72 0.576 -2.357 -9.539 1.00 0.00 C ATOM 1136 CD GLN A 72 1.414 -3.344 -10.328 1.00 0.00 C ATOM 1137 OE1 GLN A 72 2.607 -3.508 -10.071 1.00 0.00 O ATOM 1138 NE2 GLN A 72 0.793 -4.007 -11.296 1.00 0.00 N ATOM 0 H GLN A 72 -0.677 -1.719 -6.603 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.825 -1.436 -9.203 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.037 -3.362 -7.753 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.830 -3.935 -9.207 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.096 -1.662 -10.228 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.227 -1.767 -8.894 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.197 -3.840 -11.475 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.306 -4.684 -11.861 1.00 0.00 H new ATOM 1147 N THR A 73 -3.420 -3.194 -7.046 1.00 0.00 N ATOM 1148 CA THR A 73 -4.617 -3.988 -6.802 1.00 0.00 C ATOM 1149 C THR A 73 -5.853 -3.102 -6.696 1.00 0.00 C ATOM 1150 O THR A 73 -6.972 -3.550 -6.943 1.00 0.00 O ATOM 1151 CB THR A 73 -4.485 -4.822 -5.513 1.00 0.00 C ATOM 1152 OG1 THR A 73 -4.532 -3.964 -4.368 1.00 0.00 O ATOM 1153 CG2 THR A 73 -3.183 -5.610 -5.510 1.00 0.00 C ATOM 0 H THR A 73 -2.987 -2.815 -6.204 1.00 0.00 H new ATOM 0 HA THR A 73 -4.728 -4.661 -7.652 1.00 0.00 H new ATOM 0 HB THR A 73 -5.317 -5.525 -5.474 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.771 -3.347 -4.390 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.112 -6.191 -4.591 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.163 -6.283 -6.367 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.341 -4.921 -5.570 1.00 0.00 H new ATOM 1161 N MET A 74 -5.642 -1.843 -6.328 1.00 0.00 N ATOM 1162 CA MET A 74 -6.741 -0.893 -6.191 1.00 0.00 C ATOM 1163 C MET A 74 -6.460 0.380 -6.982 1.00 0.00 C ATOM 1164 O MET A 74 -6.671 1.495 -6.505 1.00 0.00 O ATOM 1165 CB MET A 74 -6.969 -0.553 -4.717 1.00 0.00 C ATOM 1166 CG MET A 74 -5.686 -0.477 -3.906 1.00 0.00 C ATOM 1167 SD MET A 74 -5.987 -0.152 -2.158 1.00 0.00 S ATOM 1168 CE MET A 74 -5.193 -1.571 -1.408 1.00 0.00 C ATOM 0 H MET A 74 -4.721 -1.457 -6.119 1.00 0.00 H new ATOM 0 HA MET A 74 -7.642 -1.357 -6.592 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.489 0.402 -4.649 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.624 -1.305 -4.276 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.140 -1.415 -4.008 1.00 0.00 H new ATOM 0 HG3 MET A 74 -5.049 0.309 -4.313 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.580 -1.714 -0.399 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.398 -2.460 -2.004 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.117 -1.404 -1.363 1.00 0.00 H new ATOM 1178 N PRO A 75 -5.972 0.214 -8.220 1.00 0.00 N ATOM 1179 CA PRO A 75 -5.652 1.339 -9.103 1.00 0.00 C ATOM 1180 C PRO A 75 -6.900 2.069 -9.588 1.00 0.00 C ATOM 1181 O PRO A 75 -6.830 3.222 -10.015 1.00 0.00 O ATOM 1182 CB PRO A 75 -4.931 0.675 -10.278 1.00 0.00 C ATOM 1183 CG PRO A 75 -5.438 -0.726 -10.291 1.00 0.00 C ATOM 1184 CD PRO A 75 -5.695 -1.086 -8.854 1.00 0.00 C ATOM 0 HA PRO A 75 -5.058 2.099 -8.595 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.151 1.184 -11.216 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.849 0.703 -10.146 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.350 -0.806 -10.882 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.708 -1.401 -10.738 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.539 -1.769 -8.756 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.833 -1.578 -8.403 1.00 0.00 H new ATOM 1192 N ASP A 76 -8.040 1.391 -9.518 1.00 0.00 N ATOM 1193 CA ASP A 76 -9.305 1.976 -9.949 1.00 0.00 C ATOM 1194 C ASP A 76 -10.181 2.320 -8.748 1.00 0.00 C ATOM 1195 O ASP A 76 -11.149 3.072 -8.869 1.00 0.00 O ATOM 1196 CB ASP A 76 -10.046 1.014 -10.878 1.00 0.00 C ATOM 1197 CG ASP A 76 -10.117 -0.393 -10.318 1.00 0.00 C ATOM 1198 OD1 ASP A 76 -9.051 -1.027 -10.167 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -11.238 -0.860 -10.029 1.00 0.00 O ATOM 0 H ASP A 76 -8.115 0.436 -9.167 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.086 2.896 -10.492 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.056 1.385 -11.049 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.546 0.992 -11.846 1.00 0.00 H new ATOM 1204 N ILE A 77 -9.836 1.763 -7.592 1.00 0.00 N ATOM 1205 CA ILE A 77 -10.592 2.011 -6.370 1.00 0.00 C ATOM 1206 C ILE A 77 -9.817 2.916 -5.419 1.00 0.00 C ATOM 1207 O ILE A 77 -10.388 3.503 -4.500 1.00 0.00 O ATOM 1208 CB ILE A 77 -10.935 0.697 -5.645 1.00 0.00 C ATOM 1209 CG1 ILE A 77 -11.057 0.937 -4.138 1.00 0.00 C ATOM 1210 CG2 ILE A 77 -9.880 -0.360 -5.935 1.00 0.00 C ATOM 1211 CD1 ILE A 77 -11.423 -0.305 -3.356 1.00 0.00 C ATOM 0 H ILE A 77 -9.039 1.138 -7.476 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.517 2.506 -6.665 1.00 0.00 H new ATOM 0 HB ILE A 77 -11.894 0.335 -6.015 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.111 1.327 -3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.811 1.704 -3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.137 -1.283 -5.415 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.838 -0.547 -7.008 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.908 -0.008 -5.590 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -11.492 -0.060 -2.296 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -12.384 -0.684 -3.704 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.657 -1.067 -3.503 1.00 0.00 H new ATOM 1223 N ALA A 78 -8.512 3.026 -5.646 1.00 0.00 N ATOM 1224 CA ALA A 78 -7.659 3.863 -4.812 1.00 0.00 C ATOM 1225 C ALA A 78 -6.532 4.486 -5.630 1.00 0.00 C ATOM 1226 O ALA A 78 -5.968 3.847 -6.518 1.00 0.00 O ATOM 1227 CB ALA A 78 -7.089 3.051 -3.658 1.00 0.00 C ATOM 0 H ALA A 78 -8.023 2.546 -6.401 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.269 4.671 -4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.454 3.689 -3.043 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.905 2.659 -3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.499 2.223 -4.052 1.00 0.00 H new ATOM 1233 N THR A 79 -6.209 5.739 -5.325 1.00 0.00 N ATOM 1234 CA THR A 79 -5.152 6.450 -6.033 1.00 0.00 C ATOM 1235 C THR A 79 -4.161 7.075 -5.057 1.00 0.00 C ATOM 1236 O THR A 79 -4.413 7.134 -3.854 1.00 0.00 O ATOM 1237 CB THR A 79 -5.727 7.553 -6.940 1.00 0.00 C ATOM 1238 OG1 THR A 79 -4.701 8.068 -7.796 1.00 0.00 O ATOM 1239 CG2 THR A 79 -6.316 8.684 -6.110 1.00 0.00 C ATOM 0 H THR A 79 -6.665 6.282 -4.592 1.00 0.00 H new ATOM 0 HA THR A 79 -4.635 5.715 -6.651 1.00 0.00 H new ATOM 0 HB THR A 79 -6.521 7.117 -7.546 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.075 8.768 -8.371 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.716 9.451 -6.773 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.116 8.295 -5.481 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.538 9.117 -5.481 1.00 0.00 H new ATOM 1247 N PHE A 80 -3.034 7.541 -5.584 1.00 0.00 N ATOM 1248 CA PHE A 80 -2.004 8.162 -4.759 1.00 0.00 C ATOM 1249 C PHE A 80 -2.472 9.514 -4.231 1.00 0.00 C ATOM 1250 O PHE A 80 -2.468 10.511 -4.954 1.00 0.00 O ATOM 1251 CB PHE A 80 -0.713 8.334 -5.561 1.00 0.00 C ATOM 1252 CG PHE A 80 0.224 7.166 -5.448 1.00 0.00 C ATOM 1253 CD1 PHE A 80 0.855 6.881 -4.248 1.00 0.00 C ATOM 1254 CD2 PHE A 80 0.474 6.352 -6.542 1.00 0.00 C ATOM 1255 CE1 PHE A 80 1.718 5.806 -4.140 1.00 0.00 C ATOM 1256 CE2 PHE A 80 1.335 5.276 -6.440 1.00 0.00 C ATOM 1257 CZ PHE A 80 1.959 5.003 -5.238 1.00 0.00 C ATOM 0 H PHE A 80 -2.810 7.501 -6.578 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.811 7.507 -3.909 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.965 8.487 -6.610 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.201 9.234 -5.221 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.671 7.506 -3.387 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -0.010 6.561 -7.485 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.203 5.594 -3.199 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.520 4.649 -7.299 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.634 4.164 -5.157 1.00 0.00 H new ATOM 1267 N SER A 81 -2.877 9.541 -2.965 1.00 0.00 N ATOM 1268 CA SER A 81 -3.353 10.770 -2.341 1.00 0.00 C ATOM 1269 C SER A 81 -2.188 11.586 -1.789 1.00 0.00 C ATOM 1270 O SER A 81 -2.187 12.814 -1.861 1.00 0.00 O ATOM 1271 CB SER A 81 -4.341 10.446 -1.218 1.00 0.00 C ATOM 1272 OG SER A 81 -5.289 11.487 -1.057 1.00 0.00 O ATOM 0 H SER A 81 -2.885 8.726 -2.352 1.00 0.00 H new ATOM 0 HA SER A 81 -3.860 11.363 -3.102 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.856 9.512 -1.441 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.799 10.296 -0.284 1.00 0.00 H new ATOM 0 HG SER A 81 -5.695 11.425 -0.167 1.00 0.00 H new ATOM 1278 N SER A 82 -1.197 10.892 -1.238 1.00 0.00 N ATOM 1279 CA SER A 82 -0.026 11.551 -0.671 1.00 0.00 C ATOM 1280 C SER A 82 1.258 10.870 -1.132 1.00 0.00 C ATOM 1281 O SER A 82 1.591 9.775 -0.677 1.00 0.00 O ATOM 1282 CB SER A 82 -0.101 11.542 0.857 1.00 0.00 C ATOM 1283 OG SER A 82 -1.304 12.137 1.313 1.00 0.00 O ATOM 0 H SER A 82 -1.182 9.874 -1.172 1.00 0.00 H new ATOM 0 HA SER A 82 -0.015 12.583 -1.022 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.038 10.517 1.221 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.753 12.079 1.269 1.00 0.00 H new ATOM 0 HG SER A 82 -1.328 12.117 2.293 1.00 0.00 H new ATOM 1289 N ARG A 83 1.975 11.525 -2.039 1.00 0.00 N ATOM 1290 CA ARG A 83 3.222 10.983 -2.565 1.00 0.00 C ATOM 1291 C ARG A 83 4.091 10.429 -1.439 1.00 0.00 C ATOM 1292 O ARG A 83 4.268 11.054 -0.393 1.00 0.00 O ATOM 1293 CB ARG A 83 3.990 12.062 -3.331 1.00 0.00 C ATOM 1294 CG ARG A 83 4.989 11.505 -4.331 1.00 0.00 C ATOM 1295 CD ARG A 83 4.290 10.835 -5.503 1.00 0.00 C ATOM 1296 NE ARG A 83 5.240 10.261 -6.452 1.00 0.00 N ATOM 1297 CZ ARG A 83 4.945 10.001 -7.721 1.00 0.00 C ATOM 1298 NH1 ARG A 83 3.734 10.264 -8.191 1.00 0.00 N ATOM 1299 NH2 ARG A 83 5.864 9.478 -8.523 1.00 0.00 N ATOM 0 H ARG A 83 1.714 12.432 -2.425 1.00 0.00 H new ATOM 0 HA ARG A 83 2.976 10.169 -3.247 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.278 12.698 -3.857 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.517 12.696 -2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.626 12.310 -4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.640 10.785 -3.834 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.630 10.051 -5.131 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.662 11.564 -6.015 1.00 0.00 H new ATOM 0 HE ARG A 83 6.182 10.048 -6.123 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.025 10.667 -7.578 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.511 10.063 -9.166 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.797 9.275 -8.165 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.637 9.279 -9.497 1.00 0.00 H new ATOM 1313 N PRO A 84 4.645 9.227 -1.656 1.00 0.00 N ATOM 1314 CA PRO A 84 5.504 8.561 -0.672 1.00 0.00 C ATOM 1315 C PRO A 84 6.849 9.261 -0.509 1.00 0.00 C ATOM 1316 O PRO A 84 7.774 9.041 -1.291 1.00 0.00 O ATOM 1317 CB PRO A 84 5.697 7.161 -1.259 1.00 0.00 C ATOM 1318 CG PRO A 84 5.501 7.334 -2.725 1.00 0.00 C ATOM 1319 CD PRO A 84 4.477 8.425 -2.880 1.00 0.00 C ATOM 0 HA PRO A 84 5.060 8.563 0.324 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.690 6.772 -1.036 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.977 6.455 -0.844 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.437 7.604 -3.215 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.157 6.408 -3.185 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.655 9.018 -3.777 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.468 8.021 -2.960 1.00 0.00 H new ATOM 1327 N LYS A 85 6.952 10.106 0.511 1.00 0.00 N ATOM 1328 CA LYS A 85 8.184 10.837 0.779 1.00 0.00 C ATOM 1329 C LYS A 85 8.991 10.159 1.881 1.00 0.00 C ATOM 1330 O LYS A 85 8.479 9.303 2.602 1.00 0.00 O ATOM 1331 CB LYS A 85 7.869 12.281 1.177 1.00 0.00 C ATOM 1332 CG LYS A 85 7.251 12.409 2.559 1.00 0.00 C ATOM 1333 CD LYS A 85 6.544 13.742 2.733 1.00 0.00 C ATOM 1334 CE LYS A 85 5.712 13.771 4.006 1.00 0.00 C ATOM 1335 NZ LYS A 85 4.973 15.054 4.157 1.00 0.00 N ATOM 0 H LYS A 85 6.195 10.302 1.167 1.00 0.00 H new ATOM 0 HA LYS A 85 8.780 10.840 -0.133 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.787 12.867 1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.189 12.712 0.442 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.542 11.597 2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.028 12.307 3.317 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.281 14.545 2.761 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.901 13.929 1.873 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.003 12.943 3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.362 13.623 4.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.418 15.034 5.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.650 15.843 4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.333 15.184 3.347 1.00 0.00 H new ATOM 1349 N ALA A 86 10.256 10.548 2.007 1.00 0.00 N ATOM 1350 CA ALA A 86 11.132 9.980 3.024 1.00 0.00 C ATOM 1351 C ALA A 86 10.870 10.609 4.388 1.00 0.00 C ATOM 1352 O ALA A 86 10.964 11.826 4.549 1.00 0.00 O ATOM 1353 CB ALA A 86 12.589 10.163 2.628 1.00 0.00 C ATOM 0 H ALA A 86 10.697 11.254 1.417 1.00 0.00 H new ATOM 0 HA ALA A 86 10.918 8.914 3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 86 13.232 9.734 3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.774 9.660 1.679 1.00 0.00 H new ATOM 0 HB3 ALA A 86 12.807 11.226 2.524 1.00 0.00 H new ATOM 1359 N ILE A 87 10.540 9.773 5.367 1.00 0.00 N ATOM 1360 CA ILE A 87 10.265 10.248 6.717 1.00 0.00 C ATOM 1361 C ILE A 87 11.286 9.704 7.710 1.00 0.00 C ATOM 1362 O ILE A 87 12.201 8.970 7.336 1.00 0.00 O ATOM 1363 CB ILE A 87 8.851 9.846 7.178 1.00 0.00 C ATOM 1364 CG1 ILE A 87 8.758 8.327 7.342 1.00 0.00 C ATOM 1365 CG2 ILE A 87 7.809 10.343 6.187 1.00 0.00 C ATOM 1366 CD1 ILE A 87 7.773 7.894 8.405 1.00 0.00 C ATOM 0 H ILE A 87 10.457 8.763 5.250 1.00 0.00 H new ATOM 0 HA ILE A 87 10.333 11.335 6.689 1.00 0.00 H new ATOM 0 HB ILE A 87 8.654 10.310 8.144 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.470 7.884 6.389 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.744 7.935 7.591 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.815 10.051 6.527 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.864 11.429 6.116 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.001 9.905 5.207 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.759 6.806 8.467 1.00 0.00 H new ATOM 0 HD12 ILE A 87 8.072 8.308 9.368 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.777 8.256 8.148 1.00 0.00 H new ATOM 1378 N ARG A 88 11.122 10.067 8.978 1.00 0.00 N ATOM 1379 CA ARG A 88 12.029 9.615 10.026 1.00 0.00 C ATOM 1380 C ARG A 88 13.467 10.016 9.711 1.00 0.00 C ATOM 1381 O ARG A 88 14.391 9.217 9.856 1.00 0.00 O ATOM 1382 CB ARG A 88 11.935 8.097 10.191 1.00 0.00 C ATOM 1383 CG ARG A 88 10.529 7.602 10.488 1.00 0.00 C ATOM 1384 CD ARG A 88 10.260 7.553 11.984 1.00 0.00 C ATOM 1385 NE ARG A 88 9.763 8.829 12.492 1.00 0.00 N ATOM 1386 CZ ARG A 88 8.606 9.367 12.121 1.00 0.00 C ATOM 1387 NH1 ARG A 88 7.833 8.744 11.243 1.00 0.00 N ATOM 1388 NH2 ARG A 88 8.222 10.531 12.628 1.00 0.00 N ATOM 0 H ARG A 88 10.369 10.673 9.304 1.00 0.00 H new ATOM 0 HA ARG A 88 11.733 10.094 10.959 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.295 7.618 9.280 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.598 7.786 10.998 1.00 0.00 H new ATOM 0 HG2 ARG A 88 9.802 8.257 10.008 1.00 0.00 H new ATOM 0 HG3 ARG A 88 10.394 6.609 10.060 1.00 0.00 H new ATOM 0 HD2 ARG A 88 9.532 6.770 12.196 1.00 0.00 H new ATOM 0 HD3 ARG A 88 11.177 7.286 12.509 1.00 0.00 H new ATOM 0 HE ARG A 88 10.335 9.335 13.168 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.126 7.849 10.850 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.945 9.159 10.960 1.00 0.00 H new ATOM 0 HH21 ARG A 88 8.815 11.014 13.303 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.334 10.943 12.343 1.00 0.00 H new ATOM 1402 N GLY A 89 13.648 11.260 9.278 1.00 0.00 N ATOM 1403 CA GLY A 89 14.975 11.745 8.948 1.00 0.00 C ATOM 1404 C GLY A 89 15.595 10.993 7.787 1.00 0.00 C ATOM 1405 O GLY A 89 16.816 10.959 7.642 1.00 0.00 O ATOM 0 H GLY A 89 12.899 11.940 9.150 1.00 0.00 H new ATOM 0 HA2 GLY A 89 14.920 12.805 8.702 1.00 0.00 H new ATOM 0 HA3 GLY A 89 15.620 11.653 9.822 1.00 0.00 H new ATOM 1409 N GLY A 90 14.751 10.387 6.957 1.00 0.00 N ATOM 1410 CA GLY A 90 15.242 9.639 5.815 1.00 0.00 C ATOM 1411 C GLY A 90 15.562 8.198 6.160 1.00 0.00 C ATOM 1412 O GLY A 90 16.622 7.685 5.799 1.00 0.00 O ATOM 0 H GLY A 90 13.736 10.401 7.056 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.495 9.662 5.021 1.00 0.00 H new ATOM 0 HA3 GLY A 90 16.137 10.123 5.425 1.00 0.00 H new ATOM 1416 N THR A 91 14.644 7.541 6.863 1.00 0.00 N ATOM 1417 CA THR A 91 14.835 6.152 7.260 1.00 0.00 C ATOM 1418 C THR A 91 13.704 5.272 6.742 1.00 0.00 C ATOM 1419 O THR A 91 13.944 4.216 6.158 1.00 0.00 O ATOM 1420 CB THR A 91 14.919 6.012 8.792 1.00 0.00 C ATOM 1421 OG1 THR A 91 16.047 6.739 9.290 1.00 0.00 O ATOM 1422 CG2 THR A 91 15.033 4.549 9.196 1.00 0.00 C ATOM 0 H THR A 91 13.761 7.949 7.169 1.00 0.00 H new ATOM 0 HA THR A 91 15.777 5.824 6.820 1.00 0.00 H new ATOM 0 HB THR A 91 14.005 6.422 9.223 1.00 0.00 H new ATOM 0 HG1 THR A 91 15.764 7.638 9.559 1.00 0.00 H new ATOM 0 HG21 THR A 91 15.091 4.475 10.282 1.00 0.00 H new ATOM 0 HG22 THR A 91 14.158 4.004 8.841 1.00 0.00 H new ATOM 0 HG23 THR A 91 15.932 4.119 8.754 1.00 0.00 H new ATOM 1430 N ALA A 92 12.469 5.714 6.958 1.00 0.00 N ATOM 1431 CA ALA A 92 11.300 4.967 6.510 1.00 0.00 C ATOM 1432 C ALA A 92 10.429 5.813 5.587 1.00 0.00 C ATOM 1433 O ALA A 92 10.528 7.040 5.576 1.00 0.00 O ATOM 1434 CB ALA A 92 10.493 4.484 7.705 1.00 0.00 C ATOM 0 H ALA A 92 12.252 6.586 7.441 1.00 0.00 H new ATOM 0 HA ALA A 92 11.647 4.101 5.946 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.623 3.928 7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.113 3.836 8.325 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.164 5.341 8.292 1.00 0.00 H new ATOM 1440 N SER A 93 9.577 5.149 4.813 1.00 0.00 N ATOM 1441 CA SER A 93 8.691 5.841 3.883 1.00 0.00 C ATOM 1442 C SER A 93 7.263 5.879 4.420 1.00 0.00 C ATOM 1443 O SER A 93 6.869 5.038 5.227 1.00 0.00 O ATOM 1444 CB SER A 93 8.715 5.153 2.517 1.00 0.00 C ATOM 1445 OG SER A 93 8.464 6.081 1.475 1.00 0.00 O ATOM 0 H SER A 93 9.481 4.134 4.811 1.00 0.00 H new ATOM 0 HA SER A 93 9.047 6.865 3.773 1.00 0.00 H new ATOM 0 HB2 SER A 93 9.685 4.680 2.361 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.966 4.361 2.492 1.00 0.00 H new ATOM 0 HG SER A 93 7.582 5.905 1.085 1.00 0.00 H new ATOM 1451 N MET A 94 6.494 6.863 3.965 1.00 0.00 N ATOM 1452 CA MET A 94 5.109 7.012 4.399 1.00 0.00 C ATOM 1453 C MET A 94 4.246 7.576 3.275 1.00 0.00 C ATOM 1454 O MET A 94 4.669 8.474 2.546 1.00 0.00 O ATOM 1455 CB MET A 94 5.031 7.923 5.625 1.00 0.00 C ATOM 1456 CG MET A 94 3.797 7.687 6.480 1.00 0.00 C ATOM 1457 SD MET A 94 3.247 9.178 7.332 1.00 0.00 S ATOM 1458 CE MET A 94 2.266 9.958 6.052 1.00 0.00 C ATOM 0 H MET A 94 6.805 7.568 3.297 1.00 0.00 H new ATOM 0 HA MET A 94 4.729 6.026 4.665 1.00 0.00 H new ATOM 0 HB2 MET A 94 5.921 7.773 6.236 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.042 8.962 5.296 1.00 0.00 H new ATOM 0 HG2 MET A 94 2.989 7.314 5.850 1.00 0.00 H new ATOM 0 HG3 MET A 94 4.012 6.911 7.215 1.00 0.00 H new ATOM 0 HE1 MET A 94 2.640 10.966 5.870 1.00 0.00 H new ATOM 0 HE2 MET A 94 2.335 9.374 5.134 1.00 0.00 H new ATOM 0 HE3 MET A 94 1.225 10.010 6.372 1.00 0.00 H new ATOM 1468 N CYS A 95 3.036 7.044 3.141 1.00 0.00 N ATOM 1469 CA CYS A 95 2.113 7.495 2.104 1.00 0.00 C ATOM 1470 C CYS A 95 0.666 7.265 2.527 1.00 0.00 C ATOM 1471 O CYS A 95 0.401 6.671 3.572 1.00 0.00 O ATOM 1472 CB CYS A 95 2.395 6.766 0.790 1.00 0.00 C ATOM 1473 SG CYS A 95 1.540 5.181 0.626 1.00 0.00 S ATOM 0 H CYS A 95 2.671 6.301 3.736 1.00 0.00 H new ATOM 0 HA CYS A 95 2.264 8.565 1.957 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.105 7.410 -0.040 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.468 6.598 0.703 1.00 0.00 H new ATOM 0 HG CYS A 95 2.411 4.236 0.429 1.00 0.00 H new ATOM 1479 N VAL A 96 -0.267 7.741 1.709 1.00 0.00 N ATOM 1480 CA VAL A 96 -1.688 7.588 1.998 1.00 0.00 C ATOM 1481 C VAL A 96 -2.472 7.246 0.736 1.00 0.00 C ATOM 1482 O VAL A 96 -2.164 7.737 -0.351 1.00 0.00 O ATOM 1483 CB VAL A 96 -2.274 8.867 2.623 1.00 0.00 C ATOM 1484 CG1 VAL A 96 -3.754 8.684 2.925 1.00 0.00 C ATOM 1485 CG2 VAL A 96 -1.508 9.245 3.881 1.00 0.00 C ATOM 0 H VAL A 96 -0.064 8.236 0.841 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.780 6.769 2.712 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.172 9.681 1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.151 9.598 3.366 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.289 8.465 2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.883 7.858 3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.936 10.151 4.309 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.576 8.434 4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.462 9.421 3.631 1.00 0.00 H new ATOM 1495 N PHE A 97 -3.487 6.402 0.887 1.00 0.00 N ATOM 1496 CA PHE A 97 -4.316 5.993 -0.241 1.00 0.00 C ATOM 1497 C PHE A 97 -5.692 6.649 -0.170 1.00 0.00 C ATOM 1498 O PHE A 97 -6.312 6.701 0.892 1.00 0.00 O ATOM 1499 CB PHE A 97 -4.464 4.471 -0.268 1.00 0.00 C ATOM 1500 CG PHE A 97 -3.220 3.755 -0.709 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -2.077 3.778 0.074 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -3.193 3.058 -1.906 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -0.930 3.120 -0.330 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -2.049 2.398 -2.315 1.00 0.00 C ATOM 1505 CZ PHE A 97 -0.917 2.429 -1.526 1.00 0.00 C ATOM 0 H PHE A 97 -3.755 5.988 1.780 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.825 6.318 -1.158 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.740 4.123 0.727 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.283 4.205 -0.937 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.082 4.316 1.010 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.076 3.030 -2.527 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.045 3.146 0.289 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.041 1.859 -3.251 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.022 1.914 -1.843 1.00 0.00 H new ATOM 1515 N ARG A 98 -6.163 7.147 -1.308 1.00 0.00 N ATOM 1516 CA ARG A 98 -7.464 7.801 -1.376 1.00 0.00 C ATOM 1517 C ARG A 98 -8.392 7.066 -2.339 1.00 0.00 C ATOM 1518 O ARG A 98 -7.960 6.581 -3.385 1.00 0.00 O ATOM 1519 CB ARG A 98 -7.305 9.257 -1.815 1.00 0.00 C ATOM 1520 CG ARG A 98 -8.594 9.886 -2.318 1.00 0.00 C ATOM 1521 CD ARG A 98 -8.397 11.351 -2.676 1.00 0.00 C ATOM 1522 NE ARG A 98 -9.625 11.962 -3.178 1.00 0.00 N ATOM 1523 CZ ARG A 98 -9.729 13.247 -3.497 1.00 0.00 C ATOM 1524 NH1 ARG A 98 -8.683 14.052 -3.369 1.00 0.00 N ATOM 1525 NH2 ARG A 98 -10.880 13.729 -3.947 1.00 0.00 N ATOM 0 H ARG A 98 -5.663 7.110 -2.196 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.908 7.776 -0.381 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.929 9.842 -0.975 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.553 9.310 -2.603 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.949 9.341 -3.193 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.366 9.798 -1.553 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.054 11.896 -1.797 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.615 11.438 -3.430 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.448 11.369 -3.290 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -7.796 13.685 -3.025 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.766 15.039 -3.615 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.686 13.113 -4.048 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.959 14.716 -4.192 1.00 0.00 H new ATOM 1539 N HIS A 99 -9.670 6.989 -1.979 1.00 0.00 N ATOM 1540 CA HIS A 99 -10.659 6.314 -2.812 1.00 0.00 C ATOM 1541 C HIS A 99 -11.018 7.165 -4.027 1.00 0.00 C ATOM 1542 O HIS A 99 -11.213 8.376 -3.914 1.00 0.00 O ATOM 1543 CB HIS A 99 -11.917 6.009 -1.999 1.00 0.00 C ATOM 1544 CG HIS A 99 -12.846 5.046 -2.673 1.00 0.00 C ATOM 1545 ND1 HIS A 99 -12.841 3.693 -2.714 1.00 0.00 N flip ATOM 1546 CD2 HIS A 99 -13.937 5.446 -3.415 1.00 0.00 C flip ATOM 1547 CE1 HIS A 99 -13.918 3.304 -3.472 1.00 0.00 C flip ATOM 1548 NE2 HIS A 99 -14.564 4.381 -3.882 1.00 0.00 N flip ATOM 0 H HIS A 99 -10.044 7.385 -1.117 1.00 0.00 H new ATOM 0 HA HIS A 99 -10.225 5.377 -3.162 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -11.625 5.602 -1.031 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -12.450 6.940 -1.806 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -14.233 6.470 -3.588 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -14.192 2.284 -3.696 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -15.404 4.389 -4.461 1.00 0.00 H new ATOM 1557 N LEU A 100 -11.102 6.524 -5.187 1.00 0.00 N ATOM 1558 CA LEU A 100 -11.437 7.221 -6.424 1.00 0.00 C ATOM 1559 C LEU A 100 -12.910 7.613 -6.447 1.00 0.00 C ATOM 1560 O LEU A 100 -13.765 6.830 -6.862 1.00 0.00 O ATOM 1561 CB LEU A 100 -11.113 6.341 -7.633 1.00 0.00 C ATOM 1562 CG LEU A 100 -9.647 6.311 -8.068 1.00 0.00 C ATOM 1563 CD1 LEU A 100 -9.178 7.703 -8.462 1.00 0.00 C ATOM 1564 CD2 LEU A 100 -8.773 5.747 -6.957 1.00 0.00 C ATOM 0 H LEU A 100 -10.943 5.523 -5.297 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.837 8.130 -6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.426 5.321 -7.409 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.714 6.681 -8.476 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.560 5.661 -8.938 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.133 7.662 -8.768 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.785 8.071 -9.290 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.280 8.376 -7.611 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.733 5.733 -7.284 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.866 6.372 -6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -9.093 4.732 -6.722 1.00 0.00 H new ATOM 1576 N SER A 101 -13.201 8.831 -5.999 1.00 0.00 N ATOM 1577 CA SER A 101 -14.572 9.326 -5.966 1.00 0.00 C ATOM 1578 C SER A 101 -15.100 9.557 -7.379 1.00 0.00 C ATOM 1579 O SER A 101 -14.328 9.714 -8.326 1.00 0.00 O ATOM 1580 CB SER A 101 -14.647 10.626 -5.163 1.00 0.00 C ATOM 1581 OG SER A 101 -13.465 11.391 -5.318 1.00 0.00 O ATOM 0 H SER A 101 -12.505 9.493 -5.654 1.00 0.00 H new ATOM 0 HA SER A 101 -15.194 8.572 -5.483 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.507 11.210 -5.490 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.800 10.397 -4.108 1.00 0.00 H new ATOM 0 HG SER A 101 -13.539 12.217 -4.796 1.00 0.00 H new ATOM 1587 N LYS A 102 -16.422 9.576 -7.514 1.00 0.00 N ATOM 1588 CA LYS A 102 -17.056 9.789 -8.809 1.00 0.00 C ATOM 1589 C LYS A 102 -16.337 10.881 -9.595 1.00 0.00 C ATOM 1590 O LYS A 102 -16.384 10.909 -10.825 1.00 0.00 O ATOM 1591 CB LYS A 102 -18.528 10.165 -8.624 1.00 0.00 C ATOM 1592 CG LYS A 102 -18.735 11.584 -8.124 1.00 0.00 C ATOM 1593 CD LYS A 102 -18.662 11.657 -6.608 1.00 0.00 C ATOM 1594 CE LYS A 102 -19.413 12.867 -6.071 1.00 0.00 C ATOM 1595 NZ LYS A 102 -19.853 12.667 -4.663 1.00 0.00 N ATOM 0 H LYS A 102 -17.075 9.446 -6.741 1.00 0.00 H new ATOM 0 HA LYS A 102 -16.993 8.858 -9.373 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -19.047 10.044 -9.575 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -18.986 9.470 -7.920 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -17.978 12.238 -8.558 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -19.704 11.952 -8.461 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -19.081 10.747 -6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -17.619 11.706 -6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -18.773 13.747 -6.130 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -20.282 13.063 -6.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -20.361 13.513 -4.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -20.484 11.842 -4.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -19.022 12.506 -4.059 1.00 0.00 H new ATOM 1609 N LYS A 103 -15.669 11.777 -8.877 1.00 0.00 N ATOM 1610 CA LYS A 103 -14.937 12.870 -9.506 1.00 0.00 C ATOM 1611 C LYS A 103 -13.565 12.403 -9.983 1.00 0.00 C ATOM 1612 O LYS A 103 -13.311 12.319 -11.184 1.00 0.00 O ATOM 1613 CB LYS A 103 -14.779 14.036 -8.527 1.00 0.00 C ATOM 1614 CG LYS A 103 -16.013 14.914 -8.423 1.00 0.00 C ATOM 1615 CD LYS A 103 -15.977 16.049 -9.433 1.00 0.00 C ATOM 1616 CE LYS A 103 -16.261 15.551 -10.842 1.00 0.00 C ATOM 1617 NZ LYS A 103 -16.859 16.613 -11.696 1.00 0.00 N ATOM 0 H LYS A 103 -15.619 11.768 -7.858 1.00 0.00 H new ATOM 0 HA LYS A 103 -15.508 13.205 -10.372 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -14.540 13.641 -7.540 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.933 14.649 -8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -16.905 14.310 -8.585 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -16.085 15.324 -7.416 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -16.712 16.805 -9.158 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.999 16.530 -9.406 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.335 15.199 -11.296 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -16.938 14.698 -10.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.037 16.234 -12.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -17.756 16.932 -11.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.202 17.417 -11.761 1.00 0.00 H new ATOM 1631 N GLU A 104 -12.686 12.098 -9.033 1.00 0.00 N ATOM 1632 CA GLU A 104 -11.341 11.638 -9.358 1.00 0.00 C ATOM 1633 C GLU A 104 -11.374 10.614 -10.489 1.00 0.00 C ATOM 1634 O GLU A 104 -10.590 10.693 -11.434 1.00 0.00 O ATOM 1635 CB GLU A 104 -10.674 11.028 -8.122 1.00 0.00 C ATOM 1636 CG GLU A 104 -10.171 12.063 -7.130 1.00 0.00 C ATOM 1637 CD GLU A 104 -9.125 12.984 -7.728 1.00 0.00 C ATOM 1638 OE1 GLU A 104 -8.220 12.480 -8.425 1.00 0.00 O ATOM 1639 OE2 GLU A 104 -9.213 14.209 -7.499 1.00 0.00 O ATOM 0 H GLU A 104 -12.881 12.161 -8.034 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.760 12.499 -9.688 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.387 10.373 -7.621 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.838 10.406 -8.440 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.012 12.658 -6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.749 11.555 -6.263 1.00 0.00 H new ATOM 1646 N GLU A 105 -12.287 9.653 -10.383 1.00 0.00 N ATOM 1647 CA GLU A 105 -12.421 8.613 -11.396 1.00 0.00 C ATOM 1648 C GLU A 105 -12.813 9.212 -12.743 1.00 0.00 C ATOM 1649 O GLU A 105 -12.096 9.067 -13.733 1.00 0.00 O ATOM 1650 CB GLU A 105 -13.462 7.579 -10.962 1.00 0.00 C ATOM 1651 CG GLU A 105 -13.200 6.185 -11.507 1.00 0.00 C ATOM 1652 CD GLU A 105 -14.406 5.275 -11.386 1.00 0.00 C ATOM 1653 OE1 GLU A 105 -15.456 5.599 -11.980 1.00 0.00 O ATOM 1654 OE2 GLU A 105 -14.301 4.239 -10.696 1.00 0.00 O ATOM 0 H GLU A 105 -12.944 9.573 -9.607 1.00 0.00 H new ATOM 0 HA GLU A 105 -11.454 8.121 -11.505 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -13.486 7.535 -9.873 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.448 7.909 -11.290 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -12.908 6.258 -12.555 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -12.360 5.742 -10.972 1.00 0.00 H new ATOM 1661 N LYS A 106 -13.957 9.887 -12.772 1.00 0.00 N ATOM 1662 CA LYS A 106 -14.447 10.510 -13.996 1.00 0.00 C ATOM 1663 C LYS A 106 -14.144 9.638 -15.210 1.00 0.00 C ATOM 1664 O LYS A 106 -13.890 10.145 -16.303 1.00 0.00 O ATOM 1665 CB LYS A 106 -13.816 11.893 -14.177 1.00 0.00 C ATOM 1666 CG LYS A 106 -12.302 11.890 -14.058 1.00 0.00 C ATOM 1667 CD LYS A 106 -11.712 13.242 -14.423 1.00 0.00 C ATOM 1668 CE LYS A 106 -11.650 14.167 -13.217 1.00 0.00 C ATOM 1669 NZ LYS A 106 -10.415 13.951 -12.414 1.00 0.00 N ATOM 0 H LYS A 106 -14.563 10.017 -11.961 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.528 10.619 -13.911 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -14.095 12.285 -15.155 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -14.229 12.572 -13.432 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.017 11.631 -13.038 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.886 11.122 -14.711 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.710 13.105 -14.830 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.314 13.703 -15.206 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.688 15.203 -13.552 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.525 14.003 -12.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -10.403 14.612 -11.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.399 12.974 -12.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.580 14.116 -13.011 1.00 0.00 H new ATOM 1683 N SER A 107 -14.172 8.324 -15.011 1.00 0.00 N ATOM 1684 CA SER A 107 -13.897 7.382 -16.090 1.00 0.00 C ATOM 1685 C SER A 107 -15.074 7.305 -17.057 1.00 0.00 C ATOM 1686 O SER A 107 -14.918 7.507 -18.260 1.00 0.00 O ATOM 1687 CB SER A 107 -13.599 5.994 -15.519 1.00 0.00 C ATOM 1688 OG SER A 107 -12.863 5.210 -16.442 1.00 0.00 O ATOM 0 H SER A 107 -14.382 7.888 -14.113 1.00 0.00 H new ATOM 0 HA SER A 107 -13.024 7.738 -16.637 1.00 0.00 H new ATOM 0 HB2 SER A 107 -13.036 6.092 -14.591 1.00 0.00 H new ATOM 0 HB3 SER A 107 -14.534 5.490 -15.273 1.00 0.00 H new ATOM 0 HG SER A 107 -12.684 4.329 -16.053 1.00 0.00 H new ATOM 1694 N GLY A 108 -16.255 7.011 -16.520 1.00 0.00 N ATOM 1695 CA GLY A 108 -17.442 6.911 -17.349 1.00 0.00 C ATOM 1696 C GLY A 108 -18.660 7.534 -16.694 1.00 0.00 C ATOM 1697 O GLY A 108 -18.549 8.377 -15.804 1.00 0.00 O ATOM 0 H GLY A 108 -16.410 6.841 -15.526 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -17.256 7.401 -18.305 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -17.645 5.862 -17.563 1.00 0.00 H new ATOM 1701 N PRO A 109 -19.854 7.116 -17.139 1.00 0.00 N ATOM 1702 CA PRO A 109 -21.120 7.626 -16.605 1.00 0.00 C ATOM 1703 C PRO A 109 -21.378 7.156 -15.177 1.00 0.00 C ATOM 1704 O PRO A 109 -20.767 6.196 -14.710 1.00 0.00 O ATOM 1705 CB PRO A 109 -22.167 7.043 -17.557 1.00 0.00 C ATOM 1706 CG PRO A 109 -21.532 5.816 -18.114 1.00 0.00 C ATOM 1707 CD PRO A 109 -20.060 6.113 -18.198 1.00 0.00 C ATOM 0 HA PRO A 109 -21.131 8.715 -16.552 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -23.092 6.806 -17.031 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -22.421 7.750 -18.346 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -21.720 4.954 -17.474 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -21.939 5.578 -19.097 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -19.459 5.220 -18.028 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -19.783 6.501 -19.178 1.00 0.00 H new ATOM 1715 N SER A 110 -22.288 7.840 -14.490 1.00 0.00 N ATOM 1716 CA SER A 110 -22.624 7.494 -13.114 1.00 0.00 C ATOM 1717 C SER A 110 -23.434 6.202 -13.061 1.00 0.00 C ATOM 1718 O SER A 110 -24.635 6.198 -13.330 1.00 0.00 O ATOM 1719 CB SER A 110 -23.412 8.630 -12.458 1.00 0.00 C ATOM 1720 OG SER A 110 -23.927 8.233 -11.199 1.00 0.00 O ATOM 0 H SER A 110 -22.805 8.636 -14.864 1.00 0.00 H new ATOM 0 HA SER A 110 -21.694 7.342 -12.566 1.00 0.00 H new ATOM 0 HB2 SER A 110 -22.767 9.499 -12.333 1.00 0.00 H new ATOM 0 HB3 SER A 110 -24.231 8.933 -13.110 1.00 0.00 H new ATOM 0 HG SER A 110 -24.425 8.977 -10.800 1.00 0.00 H new ATOM 1726 N SER A 111 -22.767 5.107 -12.711 1.00 0.00 N ATOM 1727 CA SER A 111 -23.423 3.807 -12.626 1.00 0.00 C ATOM 1728 C SER A 111 -24.118 3.462 -13.939 1.00 0.00 C ATOM 1729 O SER A 111 -25.266 3.019 -13.950 1.00 0.00 O ATOM 1730 CB SER A 111 -24.437 3.798 -11.481 1.00 0.00 C ATOM 1731 OG SER A 111 -24.778 2.473 -11.112 1.00 0.00 O ATOM 0 H SER A 111 -21.773 5.094 -12.482 1.00 0.00 H new ATOM 0 HA SER A 111 -22.659 3.054 -12.431 1.00 0.00 H new ATOM 0 HB2 SER A 111 -24.023 4.323 -10.620 1.00 0.00 H new ATOM 0 HB3 SER A 111 -25.335 4.338 -11.782 1.00 0.00 H new ATOM 0 HG SER A 111 -25.148 2.002 -11.888 1.00 0.00 H new ATOM 1737 N GLY A 112 -23.412 3.669 -15.047 1.00 0.00 N ATOM 1738 CA GLY A 112 -23.976 3.375 -16.352 1.00 0.00 C ATOM 1739 C GLY A 112 -23.318 2.180 -17.013 1.00 0.00 C ATOM 1740 O GLY A 112 -23.394 2.016 -18.230 1.00 0.00 O ATOM 0 H GLY A 112 -22.460 4.035 -15.064 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -25.044 3.186 -16.248 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -23.868 4.248 -16.996 1.00 0.00 H new TER 1744 GLY A 112