USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 597 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 44 ASN : amide:sc= 0.922 K(o=2,f=-2.5) USER MOD Set 1.2: A 47 LYS NZ :NH3+ 171:sc= 1.08 (180deg=0) USER MOD Set 2.1: A 23 GLN : amide:sc= 0.0424 X(o=0.12,f=0.071) USER MOD Set 2.2: A 55 GLN : amide:sc= 0.0758 X(o=0.12,f=0.054) USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.942 (180deg=0.12) USER MOD Single : A 2 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-2.6!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-0.84) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0869! C(o=-0.087!,f=-4.1!) USER MOD Single : A 11 GLN : amide:sc= -1.52 K(o=-1.5,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= -0.545 USER MOD Single : A 14 HIS : no HD1:sc= -1.55! K(o=-1.6!,f=-0.63) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0.0749 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -93:sc= 1.27 USER MOD Single : A 31 GLN : amide:sc= -3.83! C(o=-3.8!,f=-2.4!) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 34 SER OG : rot 180:sc= 0.00435 USER MOD Single : A 37 GLN : amide:sc= -2.03! K(o=-2!,f=-0.006) USER MOD Single : A 40 GLN : amide:sc= 0.083 X(o=0.083,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0248) USER MOD Single : A 51 MET CE :methyl -168:sc= 0 (180deg=-0.242) USER MOD Single : A 52 THR OG1 : rot -14:sc= 1.25 USER MOD Single : A 53 SER OG : rot 180:sc= -0.757 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -153:sc= 1.15 (180deg=0.845) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 177:sc=-0.00582 (180deg=-0.0345) USER MOD Single : A 67 MET CE :methyl -170:sc= -2.13 (180deg=-2.3) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 159:sc= -0.1 (180deg=-0.704) USER MOD Single : A 70 SER OG : rot -74:sc= 1.17 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.084 -4.167 -0.541 1.00 0.00 N ATOM 2 CA GLY A 1 17.143 -2.727 -0.276 1.00 0.00 C ATOM 3 C GLY A 1 15.877 -2.245 0.393 1.00 0.00 C ATOM 4 O GLY A 1 14.927 -3.002 0.528 1.00 0.00 O ATOM 0 H1 GLY A 1 18.020 -4.589 -0.375 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.388 -4.608 0.093 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.802 -4.327 -1.529 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.001 -2.506 0.359 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.292 -2.188 -1.211 1.00 0.00 H new ATOM 10 N HIS A 2 15.852 -0.982 0.785 1.00 0.00 N ATOM 11 CA HIS A 2 14.688 -0.388 1.470 1.00 0.00 C ATOM 12 C HIS A 2 13.610 0.056 0.461 1.00 0.00 C ATOM 13 O HIS A 2 12.587 0.624 0.833 1.00 0.00 O ATOM 14 CB HIS A 2 15.125 0.840 2.322 1.00 0.00 C ATOM 15 CG HIS A 2 15.633 2.024 1.514 1.00 0.00 C ATOM 16 ND1 HIS A 2 14.807 2.942 0.919 1.00 0.00 N ATOM 17 CD2 HIS A 2 16.895 2.406 1.194 1.00 0.00 C ATOM 18 CE1 HIS A 2 15.560 3.826 0.269 1.00 0.00 C ATOM 19 NE2 HIS A 2 16.839 3.551 0.402 1.00 0.00 N ATOM 0 H HIS A 2 16.626 -0.333 0.644 1.00 0.00 H new ATOM 0 HA HIS A 2 14.267 -1.155 2.120 1.00 0.00 H new ATOM 0 HB2 HIS A 2 14.278 1.166 2.926 1.00 0.00 H new ATOM 0 HB3 HIS A 2 15.907 0.526 3.013 1.00 0.00 H new ATOM 0 HD2 HIS A 2 17.799 1.903 1.504 1.00 0.00 H new ATOM 0 HE1 HIS A 2 15.171 4.661 -0.295 1.00 0.00 H new ATOM 0 HE2 HIS A 2 17.625 4.068 0.008 1.00 0.00 H new ATOM 27 N MET A 3 13.876 -0.168 -0.803 1.00 0.00 N ATOM 28 CA MET A 3 12.999 0.258 -1.867 1.00 0.00 C ATOM 29 C MET A 3 11.760 -0.627 -1.911 1.00 0.00 C ATOM 30 O MET A 3 11.817 -1.784 -1.541 1.00 0.00 O ATOM 31 CB MET A 3 13.716 0.226 -3.210 1.00 0.00 C ATOM 32 CG MET A 3 15.022 1.037 -3.306 1.00 0.00 C ATOM 33 SD MET A 3 16.385 0.343 -2.329 1.00 0.00 S ATOM 34 CE MET A 3 17.699 1.500 -2.726 1.00 0.00 C ATOM 0 H MET A 3 14.713 -0.654 -1.125 1.00 0.00 H new ATOM 0 HA MET A 3 12.695 1.286 -1.668 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.940 -0.813 -3.454 1.00 0.00 H new ATOM 0 HB3 MET A 3 13.029 0.592 -3.973 1.00 0.00 H new ATOM 0 HG2 MET A 3 15.328 1.094 -4.351 1.00 0.00 H new ATOM 0 HG3 MET A 3 14.831 2.057 -2.973 1.00 0.00 H new ATOM 0 HE1 MET A 3 18.609 1.211 -2.201 1.00 0.00 H new ATOM 0 HE2 MET A 3 17.881 1.489 -3.801 1.00 0.00 H new ATOM 0 HE3 MET A 3 17.406 2.503 -2.418 1.00 0.00 H new ATOM 44 N VAL A 4 10.667 -0.107 -2.428 1.00 0.00 N ATOM 45 CA VAL A 4 9.381 -0.814 -2.354 1.00 0.00 C ATOM 46 C VAL A 4 9.347 -2.061 -3.216 1.00 0.00 C ATOM 47 O VAL A 4 8.741 -3.056 -2.854 1.00 0.00 O ATOM 48 CB VAL A 4 8.182 0.094 -2.698 1.00 0.00 C ATOM 49 CG1 VAL A 4 8.242 1.314 -1.879 1.00 0.00 C ATOM 50 CG2 VAL A 4 8.149 0.474 -4.144 1.00 0.00 C ATOM 0 H VAL A 4 10.630 0.795 -2.903 1.00 0.00 H new ATOM 0 HA VAL A 4 9.287 -1.120 -1.312 1.00 0.00 H new ATOM 0 HB VAL A 4 7.274 -0.471 -2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.395 1.957 -2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.204 1.046 -0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.171 1.845 -2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.286 1.113 -4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.062 1.012 -4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.075 -0.426 -4.755 1.00 0.00 H new ATOM 60 N HIS A 5 10.041 -2.019 -4.327 1.00 0.00 N ATOM 61 CA HIS A 5 10.086 -3.144 -5.242 1.00 0.00 C ATOM 62 C HIS A 5 10.873 -4.321 -4.624 1.00 0.00 C ATOM 63 O HIS A 5 10.825 -5.451 -5.105 1.00 0.00 O ATOM 64 CB HIS A 5 10.675 -2.718 -6.601 1.00 0.00 C ATOM 65 CG HIS A 5 11.920 -1.900 -6.505 1.00 0.00 C ATOM 66 ND1 HIS A 5 11.921 -0.534 -6.587 1.00 0.00 N ATOM 67 CD2 HIS A 5 13.199 -2.262 -6.295 1.00 0.00 C ATOM 68 CE1 HIS A 5 13.153 -0.109 -6.420 1.00 0.00 C ATOM 69 NE2 HIS A 5 13.985 -1.118 -6.243 1.00 0.00 N ATOM 0 H HIS A 5 10.589 -1.212 -4.625 1.00 0.00 H new ATOM 0 HA HIS A 5 9.067 -3.487 -5.418 1.00 0.00 H new ATOM 0 HB2 HIS A 5 10.887 -3.612 -7.188 1.00 0.00 H new ATOM 0 HB3 HIS A 5 9.922 -2.149 -7.147 1.00 0.00 H new ATOM 0 HD2 HIS A 5 13.556 -3.275 -6.185 1.00 0.00 H new ATOM 0 HE1 HIS A 5 13.446 0.930 -6.427 1.00 0.00 H new ATOM 0 HE2 HIS A 5 14.993 -1.068 -6.098 1.00 0.00 H new ATOM 77 N GLU A 6 11.578 -4.024 -3.540 1.00 0.00 N ATOM 78 CA GLU A 6 12.368 -4.992 -2.799 1.00 0.00 C ATOM 79 C GLU A 6 11.497 -5.656 -1.726 1.00 0.00 C ATOM 80 O GLU A 6 11.883 -6.654 -1.121 1.00 0.00 O ATOM 81 CB GLU A 6 13.533 -4.267 -2.126 1.00 0.00 C ATOM 82 CG GLU A 6 14.492 -3.571 -3.083 1.00 0.00 C ATOM 83 CD GLU A 6 15.370 -4.538 -3.811 1.00 0.00 C ATOM 84 OE1 GLU A 6 14.977 -5.039 -4.882 1.00 0.00 O ATOM 85 OE2 GLU A 6 16.480 -4.824 -3.314 1.00 0.00 O ATOM 0 H GLU A 6 11.616 -3.084 -3.145 1.00 0.00 H new ATOM 0 HA GLU A 6 12.745 -5.756 -3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.131 -3.526 -1.435 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.095 -4.987 -1.531 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.921 -2.988 -3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 6 15.112 -2.869 -2.525 1.00 0.00 H new ATOM 92 N TRP A 7 10.328 -5.087 -1.488 1.00 0.00 N ATOM 93 CA TRP A 7 9.417 -5.608 -0.494 1.00 0.00 C ATOM 94 C TRP A 7 8.687 -6.792 -1.061 1.00 0.00 C ATOM 95 O TRP A 7 8.357 -6.812 -2.249 1.00 0.00 O ATOM 96 CB TRP A 7 8.407 -4.545 -0.040 1.00 0.00 C ATOM 97 CG TRP A 7 9.039 -3.317 0.556 1.00 0.00 C ATOM 98 CD1 TRP A 7 10.325 -3.179 0.999 1.00 0.00 C ATOM 99 CD2 TRP A 7 8.403 -2.068 0.801 1.00 0.00 C ATOM 100 NE1 TRP A 7 10.530 -1.910 1.451 1.00 0.00 N ATOM 101 CE2 TRP A 7 9.371 -1.211 1.350 1.00 0.00 C ATOM 102 CE3 TRP A 7 7.115 -1.581 0.598 1.00 0.00 C ATOM 103 CZ2 TRP A 7 9.097 0.096 1.692 1.00 0.00 C ATOM 104 CZ3 TRP A 7 6.840 -0.276 0.943 1.00 0.00 C ATOM 105 CH2 TRP A 7 7.834 0.552 1.488 1.00 0.00 C ATOM 0 H TRP A 7 9.989 -4.258 -1.976 1.00 0.00 H new ATOM 0 HA TRP A 7 9.999 -5.908 0.378 1.00 0.00 H new ATOM 0 HB2 TRP A 7 7.797 -4.250 -0.894 1.00 0.00 H new ATOM 0 HB3 TRP A 7 7.734 -4.988 0.694 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.070 -3.961 0.992 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.413 -1.544 1.808 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.347 -2.213 0.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.861 0.736 2.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.845 0.116 0.792 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.590 1.571 1.750 1.00 0.00 H new ATOM 116 N SER A 8 8.456 -7.762 -0.236 1.00 0.00 N ATOM 117 CA SER A 8 7.800 -8.964 -0.637 1.00 0.00 C ATOM 118 C SER A 8 6.340 -8.926 -0.238 1.00 0.00 C ATOM 119 O SER A 8 5.466 -8.769 -1.074 1.00 0.00 O ATOM 120 CB SER A 8 8.504 -10.122 0.027 1.00 0.00 C ATOM 121 OG SER A 8 9.905 -10.004 -0.189 1.00 0.00 O ATOM 0 H SER A 8 8.721 -7.741 0.749 1.00 0.00 H new ATOM 0 HA SER A 8 7.842 -9.074 -1.721 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.288 -10.130 1.095 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.140 -11.066 -0.379 1.00 0.00 H new ATOM 0 HG SER A 8 10.367 -10.753 0.242 1.00 0.00 H new ATOM 127 N VAL A 9 6.084 -9.053 1.045 1.00 0.00 N ATOM 128 CA VAL A 9 4.729 -9.040 1.561 1.00 0.00 C ATOM 129 C VAL A 9 4.735 -8.280 2.870 1.00 0.00 C ATOM 130 O VAL A 9 4.235 -7.184 2.967 1.00 0.00 O ATOM 131 CB VAL A 9 4.171 -10.487 1.824 1.00 0.00 C ATOM 132 CG1 VAL A 9 2.745 -10.415 2.310 1.00 0.00 C ATOM 133 CG2 VAL A 9 4.234 -11.364 0.579 1.00 0.00 C ATOM 0 H VAL A 9 6.804 -9.168 1.759 1.00 0.00 H new ATOM 0 HA VAL A 9 4.086 -8.570 0.817 1.00 0.00 H new ATOM 0 HB VAL A 9 4.804 -10.939 2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.370 -11.423 2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.705 -9.843 3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.128 -9.927 1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.838 -12.353 0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.640 -10.912 -0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.269 -11.455 0.250 1.00 0.00 H new ATOM 143 N GLN A 10 5.409 -8.841 3.844 1.00 0.00 N ATOM 144 CA GLN A 10 5.461 -8.287 5.192 1.00 0.00 C ATOM 145 C GLN A 10 6.109 -6.888 5.258 1.00 0.00 C ATOM 146 O GLN A 10 5.841 -6.104 6.171 1.00 0.00 O ATOM 147 CB GLN A 10 6.090 -9.288 6.187 1.00 0.00 C ATOM 148 CG GLN A 10 7.562 -9.690 5.971 1.00 0.00 C ATOM 149 CD GLN A 10 7.809 -10.486 4.698 1.00 0.00 C ATOM 150 OE1 GLN A 10 6.924 -11.170 4.188 1.00 0.00 O ATOM 151 NE2 GLN A 10 8.999 -10.441 4.209 1.00 0.00 N ATOM 0 H GLN A 10 5.944 -9.702 3.732 1.00 0.00 H new ATOM 0 HA GLN A 10 4.428 -8.129 5.502 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.002 -8.865 7.188 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.489 -10.197 6.172 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.174 -8.788 5.947 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.896 -10.279 6.825 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.712 -9.864 4.655 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.229 -10.982 3.376 1.00 0.00 H new ATOM 160 N GLN A 11 6.925 -6.563 4.273 1.00 0.00 N ATOM 161 CA GLN A 11 7.528 -5.248 4.211 1.00 0.00 C ATOM 162 C GLN A 11 6.590 -4.178 3.643 1.00 0.00 C ATOM 163 O GLN A 11 6.780 -2.995 3.894 1.00 0.00 O ATOM 164 CB GLN A 11 8.874 -5.267 3.506 1.00 0.00 C ATOM 165 CG GLN A 11 10.020 -5.682 4.420 1.00 0.00 C ATOM 166 CD GLN A 11 11.388 -5.679 3.755 1.00 0.00 C ATOM 167 OE1 GLN A 11 12.396 -5.396 4.399 1.00 0.00 O ATOM 168 NE2 GLN A 11 11.452 -6.104 2.531 1.00 0.00 N ATOM 0 H GLN A 11 7.184 -7.188 3.510 1.00 0.00 H new ATOM 0 HA GLN A 11 7.715 -4.958 5.245 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.825 -5.953 2.660 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.080 -4.276 3.102 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.045 -5.010 5.278 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.818 -6.682 4.804 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.596 -6.330 2.024 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.358 -6.212 2.075 1.00 0.00 H new ATOM 177 N VAL A 12 5.538 -4.597 2.945 1.00 0.00 N ATOM 178 CA VAL A 12 4.581 -3.643 2.368 1.00 0.00 C ATOM 179 C VAL A 12 3.697 -3.098 3.505 1.00 0.00 C ATOM 180 O VAL A 12 3.151 -1.991 3.438 1.00 0.00 O ATOM 181 CB VAL A 12 3.685 -4.328 1.264 1.00 0.00 C ATOM 182 CG1 VAL A 12 2.471 -5.051 1.820 1.00 0.00 C ATOM 183 CG2 VAL A 12 3.286 -3.360 0.188 1.00 0.00 C ATOM 0 H VAL A 12 5.323 -5.578 2.764 1.00 0.00 H new ATOM 0 HA VAL A 12 5.127 -2.831 1.888 1.00 0.00 H new ATOM 0 HB VAL A 12 4.319 -5.095 0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.906 -5.495 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.796 -5.835 2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.839 -4.342 2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.670 -3.872 -0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.718 -2.540 0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.179 -2.964 -0.295 1.00 0.00 H new ATOM 193 N SER A 13 3.618 -3.878 4.579 1.00 0.00 N ATOM 194 CA SER A 13 2.790 -3.555 5.701 1.00 0.00 C ATOM 195 C SER A 13 3.419 -2.453 6.555 1.00 0.00 C ATOM 196 O SER A 13 2.701 -1.671 7.174 1.00 0.00 O ATOM 197 CB SER A 13 2.541 -4.817 6.508 1.00 0.00 C ATOM 198 OG SER A 13 2.398 -5.921 5.614 1.00 0.00 O ATOM 0 H SER A 13 4.134 -4.752 4.681 1.00 0.00 H new ATOM 0 HA SER A 13 1.835 -3.166 5.347 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.369 -4.994 7.195 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.642 -4.705 7.114 1.00 0.00 H new ATOM 0 HG SER A 13 2.239 -6.740 6.128 1.00 0.00 H new ATOM 204 N HIS A 14 4.766 -2.354 6.538 1.00 0.00 N ATOM 205 CA HIS A 14 5.465 -1.304 7.313 1.00 0.00 C ATOM 206 C HIS A 14 5.059 0.049 6.782 1.00 0.00 C ATOM 207 O HIS A 14 4.921 1.011 7.535 1.00 0.00 O ATOM 208 CB HIS A 14 7.003 -1.421 7.245 1.00 0.00 C ATOM 209 CG HIS A 14 7.596 -2.698 7.769 1.00 0.00 C ATOM 210 ND1 HIS A 14 7.398 -3.188 9.044 1.00 0.00 N ATOM 211 CD2 HIS A 14 8.414 -3.580 7.158 1.00 0.00 C ATOM 212 CE1 HIS A 14 8.088 -4.324 9.163 1.00 0.00 C ATOM 213 NE2 HIS A 14 8.727 -4.611 8.039 1.00 0.00 N ATOM 0 H HIS A 14 5.380 -2.973 6.009 1.00 0.00 H new ATOM 0 HA HIS A 14 5.176 -1.431 8.356 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.310 -1.302 6.206 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.435 -0.589 7.802 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.771 -3.499 6.142 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.121 -4.929 10.057 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.323 -5.418 7.857 1.00 0.00 H new ATOM 221 N TRP A 15 4.847 0.098 5.481 1.00 0.00 N ATOM 222 CA TRP A 15 4.375 1.281 4.828 1.00 0.00 C ATOM 223 C TRP A 15 2.968 1.581 5.285 1.00 0.00 C ATOM 224 O TRP A 15 2.750 2.577 5.943 1.00 0.00 O ATOM 225 CB TRP A 15 4.452 1.117 3.301 1.00 0.00 C ATOM 226 CG TRP A 15 3.671 2.138 2.532 1.00 0.00 C ATOM 227 CD1 TRP A 15 3.928 3.467 2.428 1.00 0.00 C ATOM 228 CD2 TRP A 15 2.492 1.896 1.755 1.00 0.00 C ATOM 229 NE1 TRP A 15 2.972 4.067 1.654 1.00 0.00 N ATOM 230 CE2 TRP A 15 2.089 3.125 1.220 1.00 0.00 C ATOM 231 CE3 TRP A 15 1.744 0.762 1.463 1.00 0.00 C ATOM 232 CZ2 TRP A 15 0.966 3.249 0.411 1.00 0.00 C ATOM 233 CZ3 TRP A 15 0.634 0.896 0.656 1.00 0.00 C ATOM 234 CH2 TRP A 15 0.262 2.119 0.147 1.00 0.00 C ATOM 0 H TRP A 15 5.001 -0.691 4.853 1.00 0.00 H new ATOM 0 HA TRP A 15 5.010 2.125 5.097 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.497 1.169 2.994 1.00 0.00 H new ATOM 0 HB3 TRP A 15 4.090 0.124 3.035 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.763 3.975 2.888 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.928 5.063 1.436 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.026 -0.202 1.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.666 4.205 0.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 0.044 0.023 0.419 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.615 2.182 -0.480 1.00 0.00 H new ATOM 245 N LEU A 16 2.043 0.652 4.999 1.00 0.00 N ATOM 246 CA LEU A 16 0.609 0.782 5.313 1.00 0.00 C ATOM 247 C LEU A 16 0.356 1.301 6.712 1.00 0.00 C ATOM 248 O LEU A 16 -0.377 2.268 6.901 1.00 0.00 O ATOM 249 CB LEU A 16 -0.060 -0.559 5.165 1.00 0.00 C ATOM 250 CG LEU A 16 -0.208 -1.091 3.741 1.00 0.00 C ATOM 251 CD1 LEU A 16 -0.518 -2.555 3.760 1.00 0.00 C ATOM 252 CD2 LEU A 16 -1.332 -0.375 3.031 1.00 0.00 C ATOM 0 H LEU A 16 2.273 -0.227 4.535 1.00 0.00 H new ATOM 0 HA LEU A 16 0.196 1.508 4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.505 -1.289 5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.053 -0.497 5.611 1.00 0.00 H new ATOM 0 HG LEU A 16 0.733 -0.920 3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.620 -2.919 2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.290 -3.092 4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.450 -2.723 4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.427 -0.763 2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.265 -0.537 3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.116 0.693 2.992 1.00 0.00 H new ATOM 264 N VAL A 17 0.991 0.692 7.678 1.00 0.00 N ATOM 265 CA VAL A 17 0.810 1.058 9.066 1.00 0.00 C ATOM 266 C VAL A 17 1.248 2.515 9.334 1.00 0.00 C ATOM 267 O VAL A 17 0.656 3.202 10.171 1.00 0.00 O ATOM 268 CB VAL A 17 1.557 0.077 9.984 1.00 0.00 C ATOM 269 CG1 VAL A 17 1.461 0.481 11.443 1.00 0.00 C ATOM 270 CG2 VAL A 17 1.021 -1.327 9.799 1.00 0.00 C ATOM 0 H VAL A 17 1.650 -0.073 7.529 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.255 0.996 9.291 1.00 0.00 H new ATOM 0 HB VAL A 17 2.609 0.104 9.701 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.002 -0.239 12.056 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.897 1.471 11.576 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.414 0.502 11.747 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.559 -2.011 10.455 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.040 -1.347 10.046 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.158 -1.635 8.762 1.00 0.00 H new ATOM 280 N GLY A 18 2.181 3.000 8.541 1.00 0.00 N ATOM 281 CA GLY A 18 2.712 4.331 8.715 1.00 0.00 C ATOM 282 C GLY A 18 1.689 5.385 8.362 1.00 0.00 C ATOM 283 O GLY A 18 1.592 6.431 9.023 1.00 0.00 O ATOM 0 H GLY A 18 2.589 2.483 7.762 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.032 4.464 9.749 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.596 4.456 8.089 1.00 0.00 H new ATOM 287 N LEU A 19 0.878 5.091 7.359 1.00 0.00 N ATOM 288 CA LEU A 19 -0.145 6.027 6.907 1.00 0.00 C ATOM 289 C LEU A 19 -1.521 5.683 7.494 1.00 0.00 C ATOM 290 O LEU A 19 -2.522 6.274 7.100 1.00 0.00 O ATOM 291 CB LEU A 19 -0.226 6.144 5.348 1.00 0.00 C ATOM 292 CG LEU A 19 -0.372 4.849 4.548 1.00 0.00 C ATOM 293 CD1 LEU A 19 -1.003 5.114 3.212 1.00 0.00 C ATOM 294 CD2 LEU A 19 0.964 4.256 4.289 1.00 0.00 C ATOM 0 H LEU A 19 0.906 4.213 6.841 1.00 0.00 H new ATOM 0 HA LEU A 19 0.160 7.004 7.282 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.071 6.788 5.103 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.674 6.653 5.002 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.995 4.173 5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.096 4.178 2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.992 5.550 3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.380 5.807 2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.849 3.334 3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.571 4.961 3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.455 4.037 5.237 1.00 0.00 H new ATOM 306 N SER A 20 -1.542 4.744 8.466 1.00 0.00 N ATOM 307 CA SER A 20 -2.780 4.285 9.163 1.00 0.00 C ATOM 308 C SER A 20 -3.624 3.353 8.293 1.00 0.00 C ATOM 309 O SER A 20 -4.763 3.043 8.593 1.00 0.00 O ATOM 310 CB SER A 20 -3.594 5.468 9.720 1.00 0.00 C ATOM 311 OG SER A 20 -2.770 6.284 10.558 1.00 0.00 O ATOM 0 H SER A 20 -0.698 4.276 8.796 1.00 0.00 H new ATOM 0 HA SER A 20 -2.460 3.693 10.020 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.992 6.064 8.899 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.447 5.097 10.287 1.00 0.00 H new ATOM 0 HG SER A 20 -3.297 7.034 10.905 1.00 0.00 H new ATOM 317 N LEU A 21 -2.984 2.804 7.307 1.00 0.00 N ATOM 318 CA LEU A 21 -3.582 1.889 6.349 1.00 0.00 C ATOM 319 C LEU A 21 -3.310 0.461 6.789 1.00 0.00 C ATOM 320 O LEU A 21 -3.389 -0.477 6.005 1.00 0.00 O ATOM 321 CB LEU A 21 -2.984 2.150 4.974 1.00 0.00 C ATOM 322 CG LEU A 21 -3.649 3.204 4.062 1.00 0.00 C ATOM 323 CD1 LEU A 21 -4.796 2.587 3.329 1.00 0.00 C ATOM 324 CD2 LEU A 21 -4.144 4.422 4.844 1.00 0.00 C ATOM 0 H LEU A 21 -1.995 2.979 7.130 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.660 2.042 6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.945 2.446 5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.975 1.204 4.433 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.890 3.548 3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.262 3.335 2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.435 1.759 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.529 2.217 4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.603 5.133 4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.879 4.105 5.584 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.303 4.897 5.349 1.00 0.00 H new ATOM 336 N ASP A 22 -2.982 0.322 8.071 1.00 0.00 N ATOM 337 CA ASP A 22 -2.799 -0.969 8.770 1.00 0.00 C ATOM 338 C ASP A 22 -3.962 -1.917 8.491 1.00 0.00 C ATOM 339 O ASP A 22 -3.789 -3.128 8.356 1.00 0.00 O ATOM 340 CB ASP A 22 -2.708 -0.682 10.272 1.00 0.00 C ATOM 341 CG ASP A 22 -2.674 -1.906 11.172 1.00 0.00 C ATOM 342 OD1 ASP A 22 -3.742 -2.454 11.486 1.00 0.00 O ATOM 343 OD2 ASP A 22 -1.581 -2.285 11.632 1.00 0.00 O ATOM 0 H ASP A 22 -2.829 1.125 8.681 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.890 -1.452 8.412 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.811 -0.091 10.457 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.560 -0.066 10.559 1.00 0.00 H new ATOM 348 N GLN A 23 -5.118 -1.334 8.342 1.00 0.00 N ATOM 349 CA GLN A 23 -6.360 -2.042 8.076 1.00 0.00 C ATOM 350 C GLN A 23 -6.296 -2.789 6.730 1.00 0.00 C ATOM 351 O GLN A 23 -6.994 -3.767 6.520 1.00 0.00 O ATOM 352 CB GLN A 23 -7.494 -1.019 8.080 1.00 0.00 C ATOM 353 CG GLN A 23 -7.460 -0.071 6.895 1.00 0.00 C ATOM 354 CD GLN A 23 -8.035 1.278 7.198 1.00 0.00 C ATOM 355 OE1 GLN A 23 -9.239 1.490 7.099 1.00 0.00 O ATOM 356 NE2 GLN A 23 -7.165 2.224 7.507 1.00 0.00 N ATOM 0 H GLN A 23 -5.236 -0.323 8.402 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.531 -2.794 8.846 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.448 -1.546 8.086 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.445 -0.438 9.001 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.429 0.048 6.563 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.012 -0.516 6.067 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.172 2.000 7.578 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.486 3.177 7.674 1.00 0.00 H new ATOM 365 N TYR A 24 -5.411 -2.348 5.856 1.00 0.00 N ATOM 366 CA TYR A 24 -5.284 -2.940 4.550 1.00 0.00 C ATOM 367 C TYR A 24 -4.272 -4.066 4.537 1.00 0.00 C ATOM 368 O TYR A 24 -4.313 -4.920 3.663 1.00 0.00 O ATOM 369 CB TYR A 24 -4.974 -1.890 3.477 1.00 0.00 C ATOM 370 CG TYR A 24 -6.205 -1.282 2.834 1.00 0.00 C ATOM 371 CD1 TYR A 24 -6.858 -0.200 3.404 1.00 0.00 C ATOM 372 CD2 TYR A 24 -6.714 -1.796 1.643 1.00 0.00 C ATOM 373 CE1 TYR A 24 -7.977 0.354 2.813 1.00 0.00 C ATOM 374 CE2 TYR A 24 -7.845 -1.228 1.048 1.00 0.00 C ATOM 375 CZ TYR A 24 -8.463 -0.159 1.641 1.00 0.00 C ATOM 376 OH TYR A 24 -9.589 0.403 1.056 1.00 0.00 O ATOM 0 H TYR A 24 -4.768 -1.576 6.035 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.252 -3.376 4.304 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.379 -1.093 3.924 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.361 -2.348 2.701 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.485 0.218 4.327 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.231 -2.641 1.175 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.470 1.195 3.278 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -8.230 -1.631 0.123 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.802 -0.077 0.229 1.00 0.00 H new ATOM 386 N VAL A 25 -3.385 -4.076 5.527 1.00 0.00 N ATOM 387 CA VAL A 25 -2.346 -5.125 5.672 1.00 0.00 C ATOM 388 C VAL A 25 -2.947 -6.526 5.650 1.00 0.00 C ATOM 389 O VAL A 25 -2.384 -7.427 5.035 1.00 0.00 O ATOM 390 CB VAL A 25 -1.464 -4.960 6.967 1.00 0.00 C ATOM 391 CG1 VAL A 25 -0.480 -6.092 7.116 1.00 0.00 C ATOM 392 CG2 VAL A 25 -0.762 -3.622 6.991 1.00 0.00 C ATOM 0 H VAL A 25 -3.355 -3.364 6.257 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.695 -4.995 4.808 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.138 -4.996 7.823 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.111 -5.944 8.020 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.020 -7.036 7.186 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.182 -6.115 6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.163 -3.542 7.898 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.114 -3.535 6.119 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.502 -2.822 6.974 1.00 0.00 H new ATOM 402 N SER A 26 -4.112 -6.676 6.255 1.00 0.00 N ATOM 403 CA SER A 26 -4.785 -7.964 6.369 1.00 0.00 C ATOM 404 C SER A 26 -5.045 -8.606 4.982 1.00 0.00 C ATOM 405 O SER A 26 -4.986 -9.830 4.837 1.00 0.00 O ATOM 406 CB SER A 26 -6.098 -7.787 7.155 1.00 0.00 C ATOM 407 OG SER A 26 -6.750 -9.022 7.401 1.00 0.00 O ATOM 0 H SER A 26 -4.623 -5.905 6.685 1.00 0.00 H new ATOM 0 HA SER A 26 -4.131 -8.648 6.910 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.887 -7.295 8.104 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.766 -7.131 6.598 1.00 0.00 H new ATOM 0 HG SER A 26 -7.576 -8.861 7.903 1.00 0.00 H new ATOM 413 N GLU A 27 -5.295 -7.783 3.978 1.00 0.00 N ATOM 414 CA GLU A 27 -5.564 -8.285 2.646 1.00 0.00 C ATOM 415 C GLU A 27 -4.375 -8.032 1.717 1.00 0.00 C ATOM 416 O GLU A 27 -4.152 -8.796 0.776 1.00 0.00 O ATOM 417 CB GLU A 27 -6.846 -7.666 2.102 1.00 0.00 C ATOM 418 CG GLU A 27 -7.302 -8.160 0.731 1.00 0.00 C ATOM 419 CD GLU A 27 -7.648 -9.625 0.674 1.00 0.00 C ATOM 420 OE1 GLU A 27 -8.490 -10.079 1.468 1.00 0.00 O ATOM 421 OE2 GLU A 27 -7.157 -10.319 -0.230 1.00 0.00 O ATOM 0 H GLU A 27 -5.317 -6.767 4.062 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.707 -9.364 2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.647 -7.852 2.817 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.710 -6.586 2.050 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.173 -7.582 0.423 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.513 -7.958 0.006 1.00 0.00 H new ATOM 428 N PHE A 28 -3.589 -6.972 1.987 1.00 0.00 N ATOM 429 CA PHE A 28 -2.368 -6.718 1.217 1.00 0.00 C ATOM 430 C PHE A 28 -1.472 -7.963 1.254 1.00 0.00 C ATOM 431 O PHE A 28 -0.895 -8.379 0.247 1.00 0.00 O ATOM 432 CB PHE A 28 -1.592 -5.533 1.798 1.00 0.00 C ATOM 433 CG PHE A 28 -1.754 -4.225 1.059 1.00 0.00 C ATOM 434 CD1 PHE A 28 -2.938 -3.530 1.096 1.00 0.00 C ATOM 435 CD2 PHE A 28 -0.690 -3.678 0.348 1.00 0.00 C ATOM 436 CE1 PHE A 28 -3.060 -2.314 0.443 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.814 -2.468 -0.299 1.00 0.00 C ATOM 438 CZ PHE A 28 -2.000 -1.788 -0.247 1.00 0.00 C ATOM 0 H PHE A 28 -3.778 -6.290 2.722 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.653 -6.485 0.191 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.905 -5.388 2.832 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.533 -5.790 1.819 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.780 -3.934 1.638 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.248 -4.211 0.303 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.997 -1.778 0.478 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.022 -2.058 -0.845 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.100 -0.837 -0.750 1.00 0.00 H new ATOM 448 N SER A 29 -1.445 -8.592 2.413 1.00 0.00 N ATOM 449 CA SER A 29 -0.649 -9.765 2.644 1.00 0.00 C ATOM 450 C SER A 29 -1.246 -11.002 1.968 1.00 0.00 C ATOM 451 O SER A 29 -0.517 -11.904 1.553 1.00 0.00 O ATOM 452 CB SER A 29 -0.510 -9.988 4.145 1.00 0.00 C ATOM 453 OG SER A 29 -1.784 -9.991 4.770 1.00 0.00 O ATOM 0 H SER A 29 -1.984 -8.293 3.226 1.00 0.00 H new ATOM 0 HA SER A 29 0.335 -9.606 2.203 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.005 -10.936 4.332 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.112 -9.205 4.578 1.00 0.00 H new ATOM 0 HG SER A 29 -1.991 -9.090 5.094 1.00 0.00 H new ATOM 459 N ALA A 30 -2.556 -11.005 1.791 1.00 0.00 N ATOM 460 CA ALA A 30 -3.255 -12.150 1.261 1.00 0.00 C ATOM 461 C ALA A 30 -2.985 -12.293 -0.217 1.00 0.00 C ATOM 462 O ALA A 30 -2.924 -13.399 -0.748 1.00 0.00 O ATOM 463 CB ALA A 30 -4.746 -12.028 1.534 1.00 0.00 C ATOM 0 H ALA A 30 -3.159 -10.213 2.012 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.890 -13.048 1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.262 -12.898 1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.916 -11.973 2.609 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.130 -11.125 1.060 1.00 0.00 H new ATOM 469 N GLN A 31 -2.791 -11.172 -0.885 1.00 0.00 N ATOM 470 CA GLN A 31 -2.519 -11.219 -2.315 1.00 0.00 C ATOM 471 C GLN A 31 -1.032 -11.190 -2.569 1.00 0.00 C ATOM 472 O GLN A 31 -0.599 -11.255 -3.714 1.00 0.00 O ATOM 473 CB GLN A 31 -3.167 -10.064 -3.055 1.00 0.00 C ATOM 474 CG GLN A 31 -4.415 -9.563 -2.403 1.00 0.00 C ATOM 475 CD GLN A 31 -5.285 -8.762 -3.300 1.00 0.00 C ATOM 476 OE1 GLN A 31 -5.270 -8.905 -4.520 1.00 0.00 O ATOM 477 NE2 GLN A 31 -6.125 -8.007 -2.715 1.00 0.00 N ATOM 0 H GLN A 31 -2.815 -10.238 -0.476 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.945 -12.150 -2.688 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.452 -9.245 -3.131 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.399 -10.379 -4.072 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.983 -10.414 -2.027 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.143 -8.955 -1.540 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.106 -7.914 -1.699 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.817 -7.495 -3.261 1.00 0.00 H new ATOM 486 N ASN A 32 -0.246 -11.099 -1.480 1.00 0.00 N ATOM 487 CA ASN A 32 1.210 -11.041 -1.546 1.00 0.00 C ATOM 488 C ASN A 32 1.618 -9.778 -2.271 1.00 0.00 C ATOM 489 O ASN A 32 2.578 -9.764 -3.049 1.00 0.00 O ATOM 490 CB ASN A 32 1.808 -12.291 -2.237 1.00 0.00 C ATOM 491 CG ASN A 32 1.386 -13.601 -1.588 1.00 0.00 C ATOM 492 OD1 ASN A 32 2.015 -14.081 -0.652 1.00 0.00 O ATOM 493 ND2 ASN A 32 0.335 -14.198 -2.094 1.00 0.00 N ATOM 0 H ASN A 32 -0.614 -11.064 -0.529 1.00 0.00 H new ATOM 0 HA ASN A 32 1.605 -11.027 -0.530 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.504 -12.298 -3.284 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.896 -12.220 -2.221 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.019 -15.088 -1.709 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.167 -13.773 -2.873 1.00 0.00 H new ATOM 500 N ILE A 33 0.874 -8.710 -1.990 1.00 0.00 N ATOM 501 CA ILE A 33 1.097 -7.423 -2.596 1.00 0.00 C ATOM 502 C ILE A 33 2.447 -6.885 -2.165 1.00 0.00 C ATOM 503 O ILE A 33 2.678 -6.647 -0.986 1.00 0.00 O ATOM 504 CB ILE A 33 -0.006 -6.387 -2.188 1.00 0.00 C ATOM 505 CG1 ILE A 33 -1.398 -6.815 -2.676 1.00 0.00 C ATOM 506 CG2 ILE A 33 0.327 -4.983 -2.679 1.00 0.00 C ATOM 507 CD1 ILE A 33 -1.534 -6.968 -4.185 1.00 0.00 C ATOM 0 H ILE A 33 0.097 -8.726 -1.329 1.00 0.00 H new ATOM 0 HA ILE A 33 1.061 -7.560 -3.677 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.025 -6.365 -1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.655 -7.764 -2.205 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.128 -6.081 -2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.462 -4.295 -2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.275 -4.662 -2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.407 -4.987 -3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.552 -7.272 -4.430 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.314 -6.016 -4.669 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.834 -7.725 -4.539 1.00 0.00 H new ATOM 519 N SER A 34 3.332 -6.751 -3.095 1.00 0.00 N ATOM 520 CA SER A 34 4.593 -6.188 -2.824 1.00 0.00 C ATOM 521 C SER A 34 4.575 -4.721 -3.204 1.00 0.00 C ATOM 522 O SER A 34 3.537 -4.191 -3.660 1.00 0.00 O ATOM 523 CB SER A 34 5.637 -6.914 -3.638 1.00 0.00 C ATOM 524 OG SER A 34 5.303 -6.876 -5.027 1.00 0.00 O ATOM 0 H SER A 34 3.192 -7.033 -4.065 1.00 0.00 H new ATOM 0 HA SER A 34 4.827 -6.282 -1.763 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.613 -6.456 -3.480 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.712 -7.949 -3.304 1.00 0.00 H new ATOM 0 HG SER A 34 5.990 -7.349 -5.542 1.00 0.00 H new ATOM 530 N GLY A 35 5.720 -4.080 -3.091 1.00 0.00 N ATOM 531 CA GLY A 35 5.843 -2.700 -3.457 1.00 0.00 C ATOM 532 C GLY A 35 5.632 -2.498 -4.937 1.00 0.00 C ATOM 533 O GLY A 35 5.267 -1.420 -5.372 1.00 0.00 O ATOM 0 H GLY A 35 6.581 -4.504 -2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.115 -2.109 -2.901 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.831 -2.335 -3.176 1.00 0.00 H new ATOM 537 N GLU A 36 5.815 -3.567 -5.693 1.00 0.00 N ATOM 538 CA GLU A 36 5.647 -3.551 -7.125 1.00 0.00 C ATOM 539 C GLU A 36 4.175 -3.283 -7.463 1.00 0.00 C ATOM 540 O GLU A 36 3.862 -2.530 -8.379 1.00 0.00 O ATOM 541 CB GLU A 36 6.075 -4.897 -7.693 1.00 0.00 C ATOM 542 CG GLU A 36 6.257 -4.903 -9.198 1.00 0.00 C ATOM 543 CD GLU A 36 7.341 -3.952 -9.652 1.00 0.00 C ATOM 544 OE1 GLU A 36 8.526 -4.169 -9.300 1.00 0.00 O ATOM 545 OE2 GLU A 36 7.034 -2.969 -10.355 1.00 0.00 O ATOM 0 H GLU A 36 6.087 -4.477 -5.320 1.00 0.00 H new ATOM 0 HA GLU A 36 6.261 -2.764 -7.562 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.012 -5.196 -7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.330 -5.646 -7.425 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.502 -5.913 -9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.316 -4.631 -9.676 1.00 0.00 H new ATOM 552 N GLN A 37 3.271 -3.865 -6.680 1.00 0.00 N ATOM 553 CA GLN A 37 1.840 -3.682 -6.934 1.00 0.00 C ATOM 554 C GLN A 37 1.397 -2.403 -6.271 1.00 0.00 C ATOM 555 O GLN A 37 0.455 -1.762 -6.712 1.00 0.00 O ATOM 556 CB GLN A 37 0.973 -4.818 -6.360 1.00 0.00 C ATOM 557 CG GLN A 37 1.699 -6.102 -5.964 1.00 0.00 C ATOM 558 CD GLN A 37 2.183 -6.970 -7.110 1.00 0.00 C ATOM 559 OE1 GLN A 37 2.302 -8.175 -6.958 1.00 0.00 O ATOM 560 NE2 GLN A 37 2.432 -6.403 -8.238 1.00 0.00 N ATOM 0 H GLN A 37 3.494 -4.456 -5.879 1.00 0.00 H new ATOM 0 HA GLN A 37 1.708 -3.667 -8.016 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.451 -4.437 -5.482 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.212 -5.071 -7.098 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.558 -5.836 -5.348 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.031 -6.696 -5.340 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.324 -5.394 -8.336 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.737 -6.963 -9.034 1.00 0.00 H new ATOM 569 N LEU A 38 2.099 -2.068 -5.205 1.00 0.00 N ATOM 570 CA LEU A 38 1.857 -0.899 -4.376 1.00 0.00 C ATOM 571 C LEU A 38 1.954 0.375 -5.236 1.00 0.00 C ATOM 572 O LEU A 38 1.057 1.203 -5.241 1.00 0.00 O ATOM 573 CB LEU A 38 2.942 -0.900 -3.284 1.00 0.00 C ATOM 574 CG LEU A 38 2.762 -0.074 -2.010 1.00 0.00 C ATOM 575 CD1 LEU A 38 3.991 -0.222 -1.153 1.00 0.00 C ATOM 576 CD2 LEU A 38 2.551 1.379 -2.296 1.00 0.00 C ATOM 0 H LEU A 38 2.888 -2.626 -4.878 1.00 0.00 H new ATOM 0 HA LEU A 38 0.863 -0.923 -3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.089 -1.936 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.870 -0.571 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 38 1.874 -0.447 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.872 0.364 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.130 -1.272 -0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.863 0.134 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.429 1.920 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.414 1.773 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.656 1.504 -2.906 1.00 0.00 H new ATOM 588 N LEU A 39 3.042 0.489 -5.973 1.00 0.00 N ATOM 589 CA LEU A 39 3.308 1.652 -6.834 1.00 0.00 C ATOM 590 C LEU A 39 2.187 1.861 -7.848 1.00 0.00 C ATOM 591 O LEU A 39 1.793 2.990 -8.140 1.00 0.00 O ATOM 592 CB LEU A 39 4.623 1.431 -7.567 1.00 0.00 C ATOM 593 CG LEU A 39 5.863 1.311 -6.688 1.00 0.00 C ATOM 594 CD1 LEU A 39 6.974 0.589 -7.449 1.00 0.00 C ATOM 595 CD2 LEU A 39 6.323 2.707 -6.225 1.00 0.00 C ATOM 0 H LEU A 39 3.776 -0.219 -6.000 1.00 0.00 H new ATOM 0 HA LEU A 39 3.365 2.543 -6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.536 0.524 -8.164 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.773 2.257 -8.262 1.00 0.00 H new ATOM 0 HG LEU A 39 5.620 0.725 -5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.856 0.507 -6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.635 -0.408 -7.729 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.225 1.152 -8.348 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.209 2.609 -5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.560 3.319 -7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.525 3.182 -5.654 1.00 0.00 H new ATOM 607 N GLN A 40 1.673 0.769 -8.350 1.00 0.00 N ATOM 608 CA GLN A 40 0.632 0.804 -9.363 1.00 0.00 C ATOM 609 C GLN A 40 -0.780 0.559 -8.791 1.00 0.00 C ATOM 610 O GLN A 40 -1.700 0.189 -9.526 1.00 0.00 O ATOM 611 CB GLN A 40 0.999 -0.139 -10.536 1.00 0.00 C ATOM 612 CG GLN A 40 1.275 -1.604 -10.178 1.00 0.00 C ATOM 613 CD GLN A 40 0.073 -2.502 -10.248 1.00 0.00 C ATOM 614 OE1 GLN A 40 -0.249 -3.041 -11.292 1.00 0.00 O ATOM 615 NE2 GLN A 40 -0.543 -2.737 -9.154 1.00 0.00 N ATOM 0 H GLN A 40 1.958 -0.171 -8.074 1.00 0.00 H new ATOM 0 HA GLN A 40 0.583 1.818 -9.761 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.186 -0.113 -11.261 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.882 0.263 -11.033 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.041 -1.991 -10.851 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.686 -1.647 -9.169 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.252 -2.271 -8.295 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.326 -3.390 -9.140 1.00 0.00 H new ATOM 624 N LEU A 41 -0.945 0.788 -7.492 1.00 0.00 N ATOM 625 CA LEU A 41 -2.237 0.697 -6.841 1.00 0.00 C ATOM 626 C LEU A 41 -3.218 1.707 -7.396 1.00 0.00 C ATOM 627 O LEU A 41 -2.866 2.865 -7.655 1.00 0.00 O ATOM 628 CB LEU A 41 -2.117 0.917 -5.350 1.00 0.00 C ATOM 629 CG LEU A 41 -1.671 -0.258 -4.519 1.00 0.00 C ATOM 630 CD1 LEU A 41 -1.394 0.225 -3.141 1.00 0.00 C ATOM 631 CD2 LEU A 41 -2.749 -1.324 -4.473 1.00 0.00 C ATOM 0 H LEU A 41 -0.182 1.042 -6.864 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.608 -0.309 -7.037 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.416 1.735 -5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.087 1.247 -4.977 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.777 -0.696 -4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.069 -0.611 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.609 0.981 -3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.300 0.659 -2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.406 -2.163 -3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.655 -0.907 -4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.962 -1.670 -5.484 1.00 0.00 H new ATOM 643 N ASP A 42 -4.427 1.280 -7.571 1.00 0.00 N ATOM 644 CA ASP A 42 -5.482 2.135 -8.044 1.00 0.00 C ATOM 645 C ASP A 42 -6.712 1.784 -7.231 1.00 0.00 C ATOM 646 O ASP A 42 -6.642 0.871 -6.389 1.00 0.00 O ATOM 647 CB ASP A 42 -5.755 1.909 -9.556 1.00 0.00 C ATOM 648 CG ASP A 42 -6.745 0.795 -9.834 1.00 0.00 C ATOM 649 OD1 ASP A 42 -6.436 -0.377 -9.596 1.00 0.00 O ATOM 650 OD2 ASP A 42 -7.893 1.109 -10.235 1.00 0.00 O ATOM 0 H ASP A 42 -4.719 0.320 -7.390 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.208 3.184 -7.927 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.131 2.835 -9.991 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.814 1.681 -10.056 1.00 0.00 H new ATOM 655 N GLY A 43 -7.816 2.478 -7.464 1.00 0.00 N ATOM 656 CA GLY A 43 -9.047 2.201 -6.767 1.00 0.00 C ATOM 657 C GLY A 43 -9.495 0.770 -6.900 1.00 0.00 C ATOM 658 O GLY A 43 -9.960 0.207 -5.944 1.00 0.00 O ATOM 0 H GLY A 43 -7.876 3.242 -8.137 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.920 2.439 -5.711 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.829 2.857 -7.150 1.00 0.00 H new ATOM 662 N ASN A 44 -9.311 0.172 -8.068 1.00 0.00 N ATOM 663 CA ASN A 44 -9.704 -1.218 -8.300 1.00 0.00 C ATOM 664 C ASN A 44 -8.973 -2.171 -7.431 1.00 0.00 C ATOM 665 O ASN A 44 -9.578 -3.103 -6.890 1.00 0.00 O ATOM 666 CB ASN A 44 -9.612 -1.609 -9.759 1.00 0.00 C ATOM 667 CG ASN A 44 -10.864 -1.253 -10.528 1.00 0.00 C ATOM 668 OD1 ASN A 44 -11.603 -0.314 -10.167 1.00 0.00 O ATOM 669 ND2 ASN A 44 -11.126 -1.976 -11.571 1.00 0.00 N ATOM 0 H ASN A 44 -8.889 0.628 -8.877 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.755 -1.280 -8.020 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.755 -1.111 -10.213 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.434 -2.682 -9.835 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.960 -1.786 -12.127 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.499 -2.735 -11.836 1.00 0.00 H new ATOM 676 N LYS A 45 -7.693 -1.950 -7.263 1.00 0.00 N ATOM 677 CA LYS A 45 -6.917 -2.773 -6.357 1.00 0.00 C ATOM 678 C LYS A 45 -7.381 -2.557 -4.931 1.00 0.00 C ATOM 679 O LYS A 45 -7.529 -3.500 -4.187 1.00 0.00 O ATOM 680 CB LYS A 45 -5.428 -2.498 -6.464 1.00 0.00 C ATOM 681 CG LYS A 45 -4.927 -2.522 -7.883 1.00 0.00 C ATOM 682 CD LYS A 45 -3.455 -2.910 -7.986 1.00 0.00 C ATOM 683 CE LYS A 45 -3.158 -4.338 -7.518 1.00 0.00 C ATOM 684 NZ LYS A 45 -3.834 -5.371 -8.346 1.00 0.00 N ATOM 0 H LYS A 45 -7.166 -1.215 -7.735 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.079 -3.812 -6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.211 -1.525 -6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.884 -3.240 -5.880 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.525 -3.226 -8.462 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.071 -1.538 -8.330 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.132 -2.802 -9.022 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.863 -2.213 -7.393 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.081 -4.507 -7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.473 -4.448 -6.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.544 -6.317 -8.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.865 -5.274 -8.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.567 -5.246 -9.343 1.00 0.00 H new ATOM 698 N LEU A 46 -7.663 -1.303 -4.590 1.00 0.00 N ATOM 699 CA LEU A 46 -8.143 -0.940 -3.256 1.00 0.00 C ATOM 700 C LEU A 46 -9.509 -1.578 -2.984 1.00 0.00 C ATOM 701 O LEU A 46 -9.830 -1.978 -1.854 1.00 0.00 O ATOM 702 CB LEU A 46 -8.210 0.586 -3.112 1.00 0.00 C ATOM 703 CG LEU A 46 -6.881 1.333 -3.316 1.00 0.00 C ATOM 704 CD1 LEU A 46 -7.082 2.837 -3.239 1.00 0.00 C ATOM 705 CD2 LEU A 46 -5.842 0.882 -2.299 1.00 0.00 C ATOM 0 H LEU A 46 -7.567 -0.511 -5.226 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.440 -1.322 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.935 0.969 -3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.590 0.823 -2.118 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.514 1.089 -4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.126 3.340 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.781 3.151 -4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.483 3.101 -2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.911 1.425 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.206 1.085 -1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.663 -0.187 -2.411 1.00 0.00 H new ATOM 717 N LYS A 47 -10.290 -1.686 -4.030 1.00 0.00 N ATOM 718 CA LYS A 47 -11.583 -2.322 -3.989 1.00 0.00 C ATOM 719 C LYS A 47 -11.423 -3.842 -3.835 1.00 0.00 C ATOM 720 O LYS A 47 -12.165 -4.491 -3.098 1.00 0.00 O ATOM 721 CB LYS A 47 -12.362 -1.997 -5.264 1.00 0.00 C ATOM 722 CG LYS A 47 -12.855 -0.553 -5.365 1.00 0.00 C ATOM 723 CD LYS A 47 -13.116 -0.138 -6.823 1.00 0.00 C ATOM 724 CE LYS A 47 -14.002 -1.135 -7.560 1.00 0.00 C ATOM 725 NZ LYS A 47 -14.168 -0.796 -8.989 1.00 0.00 N ATOM 0 H LYS A 47 -10.040 -1.327 -4.951 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.137 -1.944 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.728 -2.210 -6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.221 -2.665 -5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.771 -0.441 -4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.115 0.115 -4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.587 0.845 -6.840 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.165 -0.044 -7.347 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.571 -2.132 -7.474 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.981 -1.169 -7.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.648 -1.578 -9.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.739 0.069 -9.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.234 -0.640 -9.419 1.00 0.00 H new ATOM 739 N ALA A 48 -10.404 -4.384 -4.487 1.00 0.00 N ATOM 740 CA ALA A 48 -10.110 -5.823 -4.464 1.00 0.00 C ATOM 741 C ALA A 48 -9.398 -6.211 -3.174 1.00 0.00 C ATOM 742 O ALA A 48 -8.989 -7.362 -2.984 1.00 0.00 O ATOM 743 CB ALA A 48 -9.262 -6.212 -5.669 1.00 0.00 C ATOM 0 H ALA A 48 -9.751 -3.841 -5.052 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.056 -6.363 -4.510 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.053 -7.281 -5.637 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.802 -5.975 -6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.323 -5.658 -5.647 1.00 0.00 H new ATOM 749 N LEU A 49 -9.242 -5.249 -2.297 1.00 0.00 N ATOM 750 CA LEU A 49 -8.656 -5.468 -1.013 1.00 0.00 C ATOM 751 C LEU A 49 -9.757 -5.684 0.008 1.00 0.00 C ATOM 752 O LEU A 49 -9.510 -5.849 1.190 1.00 0.00 O ATOM 753 CB LEU A 49 -7.748 -4.297 -0.656 1.00 0.00 C ATOM 754 CG LEU A 49 -6.445 -4.225 -1.479 1.00 0.00 C ATOM 755 CD1 LEU A 49 -5.745 -2.913 -1.330 1.00 0.00 C ATOM 756 CD2 LEU A 49 -5.494 -5.333 -1.086 1.00 0.00 C ATOM 0 H LEU A 49 -9.524 -4.283 -2.465 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.035 -6.364 -1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.302 -3.369 -0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.492 -4.361 0.402 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.740 -4.340 -2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.835 -2.916 -1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.400 -2.111 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.489 -2.754 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.584 -5.259 -1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.245 -5.241 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.967 -6.299 -1.264 1.00 0.00 H new ATOM 768 N GLY A 50 -10.995 -5.612 -0.469 1.00 0.00 N ATOM 769 CA GLY A 50 -12.161 -5.930 0.338 1.00 0.00 C ATOM 770 C GLY A 50 -12.595 -4.807 1.235 1.00 0.00 C ATOM 771 O GLY A 50 -13.750 -4.722 1.624 1.00 0.00 O ATOM 0 H GLY A 50 -11.215 -5.332 -1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.987 -6.197 -0.321 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.943 -6.807 0.947 1.00 0.00 H new ATOM 775 N MET A 51 -11.681 -3.939 1.536 1.00 0.00 N ATOM 776 CA MET A 51 -11.949 -2.850 2.439 1.00 0.00 C ATOM 777 C MET A 51 -12.774 -1.785 1.793 1.00 0.00 C ATOM 778 O MET A 51 -13.828 -1.426 2.304 1.00 0.00 O ATOM 779 CB MET A 51 -10.689 -2.281 3.016 1.00 0.00 C ATOM 780 CG MET A 51 -10.106 -3.074 4.172 1.00 0.00 C ATOM 781 SD MET A 51 -11.248 -3.178 5.571 1.00 0.00 S ATOM 782 CE MET A 51 -10.276 -4.135 6.736 1.00 0.00 C ATOM 0 H MET A 51 -10.730 -3.959 1.168 1.00 0.00 H new ATOM 0 HA MET A 51 -12.530 -3.262 3.264 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.941 -2.214 2.226 1.00 0.00 H new ATOM 0 HB3 MET A 51 -10.887 -1.264 3.354 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.857 -4.079 3.832 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.176 -2.608 4.498 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.913 -4.464 7.557 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.856 -5.005 6.231 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.468 -3.518 7.129 1.00 0.00 H new ATOM 792 N THR A 52 -12.291 -1.270 0.656 1.00 0.00 N ATOM 793 CA THR A 52 -13.009 -0.296 -0.186 1.00 0.00 C ATOM 794 C THR A 52 -13.307 1.008 0.605 1.00 0.00 C ATOM 795 O THR A 52 -14.188 1.804 0.251 1.00 0.00 O ATOM 796 CB THR A 52 -14.332 -0.946 -0.756 1.00 0.00 C ATOM 797 OG1 THR A 52 -15.373 -1.034 0.243 1.00 0.00 O ATOM 798 CG2 THR A 52 -14.024 -2.363 -1.218 1.00 0.00 C ATOM 0 H THR A 52 -11.374 -1.521 0.286 1.00 0.00 H new ATOM 0 HA THR A 52 -12.374 -0.023 -1.029 1.00 0.00 H new ATOM 0 HB THR A 52 -14.680 -0.313 -1.572 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.987 -0.884 1.131 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.930 -2.822 -1.614 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.262 -2.334 -1.997 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.659 -2.949 -0.375 1.00 0.00 H new ATOM 806 N SER A 53 -12.514 1.227 1.619 1.00 0.00 N ATOM 807 CA SER A 53 -12.685 2.275 2.564 1.00 0.00 C ATOM 808 C SER A 53 -12.445 3.667 1.948 1.00 0.00 C ATOM 809 O SER A 53 -11.394 3.923 1.343 1.00 0.00 O ATOM 810 CB SER A 53 -11.750 1.982 3.702 1.00 0.00 C ATOM 811 OG SER A 53 -11.894 0.630 4.118 1.00 0.00 O ATOM 0 H SER A 53 -11.696 0.648 1.809 1.00 0.00 H new ATOM 0 HA SER A 53 -13.716 2.308 2.916 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.721 2.168 3.394 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.959 2.651 4.536 1.00 0.00 H new ATOM 0 HG SER A 53 -11.279 0.449 4.859 1.00 0.00 H new ATOM 817 N SER A 54 -13.433 4.544 2.110 1.00 0.00 N ATOM 818 CA SER A 54 -13.455 5.879 1.521 1.00 0.00 C ATOM 819 C SER A 54 -12.262 6.756 1.948 1.00 0.00 C ATOM 820 O SER A 54 -11.707 7.489 1.117 1.00 0.00 O ATOM 821 CB SER A 54 -14.767 6.559 1.875 1.00 0.00 C ATOM 822 OG SER A 54 -15.865 5.724 1.539 1.00 0.00 O ATOM 0 H SER A 54 -14.261 4.340 2.669 1.00 0.00 H new ATOM 0 HA SER A 54 -13.367 5.759 0.441 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.789 6.788 2.940 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.847 7.507 1.343 1.00 0.00 H new ATOM 0 HG SER A 54 -16.703 6.175 1.774 1.00 0.00 H new ATOM 828 N GLN A 55 -11.884 6.689 3.227 1.00 0.00 N ATOM 829 CA GLN A 55 -10.726 7.425 3.752 1.00 0.00 C ATOM 830 C GLN A 55 -9.510 7.073 2.939 1.00 0.00 C ATOM 831 O GLN A 55 -8.862 7.913 2.305 1.00 0.00 O ATOM 832 CB GLN A 55 -10.429 7.000 5.205 1.00 0.00 C ATOM 833 CG GLN A 55 -9.068 7.502 5.706 1.00 0.00 C ATOM 834 CD GLN A 55 -8.561 6.779 6.934 1.00 0.00 C ATOM 835 OE1 GLN A 55 -8.806 7.196 8.067 1.00 0.00 O ATOM 836 NE2 GLN A 55 -7.872 5.670 6.731 1.00 0.00 N ATOM 0 H GLN A 55 -12.368 6.126 3.927 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.950 8.491 3.705 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.214 7.381 5.858 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.458 5.913 5.274 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.336 7.395 4.906 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.144 8.566 5.929 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.686 5.352 5.780 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.526 5.132 7.525 1.00 0.00 H new ATOM 845 N ASP A 56 -9.264 5.810 2.944 1.00 0.00 N ATOM 846 CA ASP A 56 -8.130 5.188 2.371 1.00 0.00 C ATOM 847 C ASP A 56 -8.064 5.446 0.910 1.00 0.00 C ATOM 848 O ASP A 56 -7.034 5.824 0.422 1.00 0.00 O ATOM 849 CB ASP A 56 -8.195 3.725 2.696 1.00 0.00 C ATOM 850 CG ASP A 56 -8.332 3.562 4.191 1.00 0.00 C ATOM 851 OD1 ASP A 56 -7.325 3.532 4.878 1.00 0.00 O ATOM 852 OD2 ASP A 56 -9.476 3.574 4.682 1.00 0.00 O ATOM 0 H ASP A 56 -9.897 5.140 3.381 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.212 5.603 2.786 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.041 3.263 2.187 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.296 3.220 2.342 1.00 0.00 H new ATOM 857 N ARG A 57 -9.203 5.358 0.237 1.00 0.00 N ATOM 858 CA ARG A 57 -9.307 5.631 -1.212 1.00 0.00 C ATOM 859 C ARG A 57 -8.714 6.991 -1.600 1.00 0.00 C ATOM 860 O ARG A 57 -8.309 7.184 -2.736 1.00 0.00 O ATOM 861 CB ARG A 57 -10.763 5.547 -1.682 1.00 0.00 C ATOM 862 CG ARG A 57 -11.319 4.135 -1.804 1.00 0.00 C ATOM 863 CD ARG A 57 -10.711 3.392 -2.993 1.00 0.00 C ATOM 864 NE ARG A 57 -10.962 4.103 -4.256 1.00 0.00 N ATOM 865 CZ ARG A 57 -11.910 3.806 -5.161 1.00 0.00 C ATOM 866 NH1 ARG A 57 -12.810 2.879 -4.905 1.00 0.00 N ATOM 867 NH2 ARG A 57 -11.984 4.498 -6.292 1.00 0.00 N ATOM 0 H ARG A 57 -10.089 5.096 0.670 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.720 4.861 -1.712 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -11.387 6.108 -0.986 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.845 6.039 -2.651 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.116 3.583 -0.887 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.402 4.178 -1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.637 3.281 -2.844 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.131 2.388 -3.050 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.358 4.898 -4.465 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.790 2.381 -4.015 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.527 2.659 -5.597 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.322 5.253 -6.472 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.703 4.275 -6.981 1.00 0.00 H new ATOM 881 N ALA A 58 -8.664 7.906 -0.661 1.00 0.00 N ATOM 882 CA ALA A 58 -8.083 9.206 -0.906 1.00 0.00 C ATOM 883 C ALA A 58 -6.689 9.317 -0.270 1.00 0.00 C ATOM 884 O ALA A 58 -5.775 9.915 -0.844 1.00 0.00 O ATOM 885 CB ALA A 58 -9.001 10.292 -0.373 1.00 0.00 C ATOM 0 H ALA A 58 -9.021 7.773 0.285 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.969 9.335 -1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -8.556 11.269 -0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.967 10.230 -0.874 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.140 10.157 0.700 1.00 0.00 H new ATOM 891 N LEU A 59 -6.525 8.709 0.896 1.00 0.00 N ATOM 892 CA LEU A 59 -5.281 8.797 1.653 1.00 0.00 C ATOM 893 C LEU A 59 -4.180 7.981 1.001 1.00 0.00 C ATOM 894 O LEU A 59 -3.137 8.534 0.612 1.00 0.00 O ATOM 895 CB LEU A 59 -5.486 8.338 3.113 1.00 0.00 C ATOM 896 CG LEU A 59 -4.348 8.670 4.131 1.00 0.00 C ATOM 897 CD1 LEU A 59 -3.050 7.992 3.854 1.00 0.00 C ATOM 898 CD2 LEU A 59 -4.186 10.160 4.340 1.00 0.00 C ATOM 0 H LEU A 59 -7.246 8.143 1.344 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.977 9.844 1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.410 8.784 3.481 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.633 7.258 3.110 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.685 8.242 5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.320 8.281 4.610 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.191 6.911 3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.688 8.287 2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.384 10.342 5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.941 10.636 3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.117 10.577 4.725 1.00 0.00 H new ATOM 910 N VAL A 60 -4.390 6.660 0.876 1.00 0.00 N ATOM 911 CA VAL A 60 -3.362 5.772 0.322 1.00 0.00 C ATOM 912 C VAL A 60 -3.039 6.199 -1.104 1.00 0.00 C ATOM 913 O VAL A 60 -1.926 6.071 -1.575 1.00 0.00 O ATOM 914 CB VAL A 60 -3.766 4.245 0.331 1.00 0.00 C ATOM 915 CG1 VAL A 60 -5.012 3.996 -0.468 1.00 0.00 C ATOM 916 CG2 VAL A 60 -2.667 3.426 -0.253 1.00 0.00 C ATOM 0 H VAL A 60 -5.253 6.190 1.149 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.490 5.867 0.969 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.948 3.965 1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.258 2.934 -0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.836 4.571 -0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.849 4.301 -1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.953 2.374 -0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.483 3.743 -1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.760 3.561 0.336 1.00 0.00 H new ATOM 926 N LYS A 61 -4.004 6.834 -1.703 1.00 0.00 N ATOM 927 CA LYS A 61 -3.955 7.240 -3.080 1.00 0.00 C ATOM 928 C LYS A 61 -2.967 8.379 -3.252 1.00 0.00 C ATOM 929 O LYS A 61 -2.371 8.558 -4.313 1.00 0.00 O ATOM 930 CB LYS A 61 -5.351 7.632 -3.533 1.00 0.00 C ATOM 931 CG LYS A 61 -5.472 8.009 -4.989 1.00 0.00 C ATOM 932 CD LYS A 61 -4.957 6.908 -5.902 1.00 0.00 C ATOM 933 CE LYS A 61 -5.208 7.283 -7.324 1.00 0.00 C ATOM 934 NZ LYS A 61 -4.613 6.341 -8.305 1.00 0.00 N ATOM 0 H LYS A 61 -4.873 7.092 -1.234 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.611 6.414 -3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.027 6.801 -3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.690 8.473 -2.927 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.515 8.218 -5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.913 8.926 -5.175 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.890 6.754 -5.738 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.454 5.966 -5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.284 7.336 -7.492 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.808 8.281 -7.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.827 6.664 -9.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.582 6.307 -8.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.012 5.392 -8.161 1.00 0.00 H new ATOM 948 N LYS A 62 -2.767 9.107 -2.197 1.00 0.00 N ATOM 949 CA LYS A 62 -1.809 10.160 -2.208 1.00 0.00 C ATOM 950 C LYS A 62 -0.450 9.592 -1.891 1.00 0.00 C ATOM 951 O LYS A 62 0.538 9.924 -2.526 1.00 0.00 O ATOM 952 CB LYS A 62 -2.183 11.274 -1.225 1.00 0.00 C ATOM 953 CG LYS A 62 -1.117 12.344 -1.124 1.00 0.00 C ATOM 954 CD LYS A 62 -1.564 13.558 -0.342 1.00 0.00 C ATOM 955 CE LYS A 62 -0.456 14.604 -0.272 1.00 0.00 C ATOM 956 NZ LYS A 62 0.763 14.090 0.392 1.00 0.00 N ATOM 0 H LYS A 62 -3.261 8.987 -1.312 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.792 10.610 -3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.122 11.730 -1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.353 10.841 -0.239 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.231 11.921 -0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.826 12.653 -2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.448 13.991 -0.810 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.851 13.260 0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.206 14.933 -1.281 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.819 15.479 0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.283 14.881 0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.495 13.408 1.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.369 13.619 -0.310 1.00 0.00 H new ATOM 970 N LYS A 63 -0.441 8.671 -0.968 1.00 0.00 N ATOM 971 CA LYS A 63 0.776 8.080 -0.483 1.00 0.00 C ATOM 972 C LYS A 63 1.460 7.243 -1.565 1.00 0.00 C ATOM 973 O LYS A 63 2.665 7.307 -1.738 1.00 0.00 O ATOM 974 CB LYS A 63 0.485 7.214 0.717 1.00 0.00 C ATOM 975 CG LYS A 63 1.473 7.430 1.839 1.00 0.00 C ATOM 976 CD LYS A 63 1.343 8.822 2.456 1.00 0.00 C ATOM 977 CE LYS A 63 -0.003 9.034 3.158 1.00 0.00 C ATOM 978 NZ LYS A 63 -0.051 10.359 3.808 1.00 0.00 N ATOM 0 H LYS A 63 -1.285 8.306 -0.527 1.00 0.00 H new ATOM 0 HA LYS A 63 1.450 8.888 -0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.522 7.425 1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.503 6.166 0.418 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.317 6.676 2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.486 7.294 1.461 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.150 8.974 3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.464 9.574 1.676 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.813 8.949 2.434 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.157 8.253 3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.971 10.482 4.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.710 10.427 4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.074 11.102 3.091 1.00 0.00 H new ATOM 992 N LEU A 64 0.663 6.507 -2.316 1.00 0.00 N ATOM 993 CA LEU A 64 1.151 5.612 -3.344 1.00 0.00 C ATOM 994 C LEU A 64 1.807 6.368 -4.492 1.00 0.00 C ATOM 995 O LEU A 64 2.737 5.875 -5.132 1.00 0.00 O ATOM 996 CB LEU A 64 0.021 4.659 -3.819 1.00 0.00 C ATOM 997 CG LEU A 64 -1.181 5.249 -4.607 1.00 0.00 C ATOM 998 CD1 LEU A 64 -0.858 5.452 -6.083 1.00 0.00 C ATOM 999 CD2 LEU A 64 -2.409 4.370 -4.448 1.00 0.00 C ATOM 0 H LEU A 64 -0.353 6.515 -2.227 1.00 0.00 H new ATOM 0 HA LEU A 64 1.936 4.992 -2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.479 3.892 -4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.378 4.157 -2.938 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.391 6.231 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.728 5.866 -6.592 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.019 6.141 -6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.596 4.495 -6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.240 4.801 -5.007 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.194 3.372 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.676 4.306 -3.393 1.00 0.00 H new ATOM 1011 N LYS A 65 1.363 7.575 -4.724 1.00 0.00 N ATOM 1012 CA LYS A 65 1.925 8.361 -5.804 1.00 0.00 C ATOM 1013 C LYS A 65 3.137 9.160 -5.349 1.00 0.00 C ATOM 1014 O LYS A 65 3.779 9.859 -6.144 1.00 0.00 O ATOM 1015 CB LYS A 65 0.881 9.243 -6.492 1.00 0.00 C ATOM 1016 CG LYS A 65 0.140 10.204 -5.592 1.00 0.00 C ATOM 1017 CD LYS A 65 -0.837 11.038 -6.415 1.00 0.00 C ATOM 1018 CE LYS A 65 -1.661 11.999 -5.575 1.00 0.00 C ATOM 1019 NZ LYS A 65 -0.828 12.983 -4.855 1.00 0.00 N ATOM 0 H LYS A 65 0.625 8.035 -4.192 1.00 0.00 H new ATOM 0 HA LYS A 65 2.271 7.653 -6.557 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.376 9.816 -7.276 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.152 8.597 -6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.399 9.652 -4.821 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.848 10.857 -5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.281 11.604 -7.162 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.508 10.371 -6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.365 12.526 -6.219 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.251 11.432 -4.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.441 13.645 -4.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.209 12.488 -4.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.246 13.510 -5.537 1.00 0.00 H new ATOM 1033 N GLU A 66 3.461 9.055 -4.081 1.00 0.00 N ATOM 1034 CA GLU A 66 4.631 9.710 -3.556 1.00 0.00 C ATOM 1035 C GLU A 66 5.529 8.689 -2.877 1.00 0.00 C ATOM 1036 O GLU A 66 6.462 9.050 -2.157 1.00 0.00 O ATOM 1037 CB GLU A 66 4.247 10.830 -2.592 1.00 0.00 C ATOM 1038 CG GLU A 66 3.532 10.352 -1.357 1.00 0.00 C ATOM 1039 CD GLU A 66 3.051 11.488 -0.490 1.00 0.00 C ATOM 1040 OE1 GLU A 66 2.029 12.109 -0.812 1.00 0.00 O ATOM 1041 OE2 GLU A 66 3.698 11.793 0.539 1.00 0.00 O ATOM 0 H GLU A 66 2.928 8.521 -3.395 1.00 0.00 H new ATOM 0 HA GLU A 66 5.178 10.165 -4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.149 11.365 -2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.611 11.544 -3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.681 9.737 -1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.201 9.716 -0.778 1.00 0.00 H new ATOM 1048 N MET A 67 5.277 7.398 -3.164 1.00 0.00 N ATOM 1049 CA MET A 67 6.066 6.269 -2.598 1.00 0.00 C ATOM 1050 C MET A 67 7.511 6.484 -2.752 1.00 0.00 C ATOM 1051 O MET A 67 8.282 6.201 -1.874 1.00 0.00 O ATOM 1052 CB MET A 67 5.755 4.942 -3.264 1.00 0.00 C ATOM 1053 CG MET A 67 4.413 4.421 -2.959 1.00 0.00 C ATOM 1054 SD MET A 67 4.135 4.341 -1.199 1.00 0.00 S ATOM 1055 CE MET A 67 5.457 3.248 -0.671 1.00 0.00 C ATOM 0 H MET A 67 4.528 7.101 -3.789 1.00 0.00 H new ATOM 0 HA MET A 67 5.783 6.235 -1.546 1.00 0.00 H new ATOM 0 HB2 MET A 67 5.853 5.057 -4.344 1.00 0.00 H new ATOM 0 HB3 MET A 67 6.498 4.208 -2.953 1.00 0.00 H new ATOM 0 HG2 MET A 67 3.659 5.059 -3.420 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.299 3.428 -3.393 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.302 2.967 0.371 1.00 0.00 H new ATOM 0 HE2 MET A 67 5.459 2.352 -1.292 1.00 0.00 H new ATOM 0 HE3 MET A 67 6.414 3.760 -0.770 1.00 0.00 H new ATOM 1065 N LYS A 68 7.852 7.050 -3.845 1.00 0.00 N ATOM 1066 CA LYS A 68 9.242 7.281 -4.228 1.00 0.00 C ATOM 1067 C LYS A 68 9.990 8.196 -3.249 1.00 0.00 C ATOM 1068 O LYS A 68 11.213 8.176 -3.196 1.00 0.00 O ATOM 1069 CB LYS A 68 9.292 7.813 -5.652 1.00 0.00 C ATOM 1070 CG LYS A 68 8.490 9.098 -5.850 1.00 0.00 C ATOM 1071 CD LYS A 68 8.393 9.514 -7.310 1.00 0.00 C ATOM 1072 CE LYS A 68 7.661 8.473 -8.160 1.00 0.00 C ATOM 1073 NZ LYS A 68 7.406 8.964 -9.532 1.00 0.00 N ATOM 0 H LYS A 68 7.177 7.384 -4.534 1.00 0.00 H new ATOM 0 HA LYS A 68 9.765 6.326 -4.184 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.331 7.996 -5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.913 7.049 -6.331 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.486 8.959 -5.449 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.954 9.902 -5.278 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.872 10.469 -7.380 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.395 9.667 -7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.254 7.559 -8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.715 8.216 -7.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.909 8.231 -10.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.819 9.822 -9.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.310 9.185 -9.995 1.00 0.00 H new ATOM 1087 N MET A 69 9.265 8.969 -2.467 1.00 0.00 N ATOM 1088 CA MET A 69 9.896 9.831 -1.496 1.00 0.00 C ATOM 1089 C MET A 69 9.542 9.370 -0.084 1.00 0.00 C ATOM 1090 O MET A 69 10.049 9.900 0.897 1.00 0.00 O ATOM 1091 CB MET A 69 9.468 11.292 -1.705 1.00 0.00 C ATOM 1092 CG MET A 69 8.008 11.582 -1.372 1.00 0.00 C ATOM 1093 SD MET A 69 7.509 13.268 -1.770 1.00 0.00 S ATOM 1094 CE MET A 69 7.673 13.243 -3.560 1.00 0.00 C ATOM 0 H MET A 69 8.246 9.017 -2.486 1.00 0.00 H new ATOM 0 HA MET A 69 10.976 9.772 -1.628 1.00 0.00 H new ATOM 0 HB2 MET A 69 10.101 11.933 -1.091 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.651 11.565 -2.744 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.372 10.884 -1.917 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.842 11.402 -0.310 1.00 0.00 H new ATOM 0 HE1 MET A 69 7.070 14.042 -3.992 1.00 0.00 H new ATOM 0 HE2 MET A 69 8.718 13.390 -3.832 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.330 12.282 -3.943 1.00 0.00 H new ATOM 1104 N SER A 70 8.695 8.366 0.004 1.00 0.00 N ATOM 1105 CA SER A 70 8.214 7.897 1.289 1.00 0.00 C ATOM 1106 C SER A 70 8.827 6.544 1.648 1.00 0.00 C ATOM 1107 O SER A 70 9.112 6.288 2.814 1.00 0.00 O ATOM 1108 CB SER A 70 6.670 7.806 1.277 1.00 0.00 C ATOM 1109 OG SER A 70 6.140 7.520 2.569 1.00 0.00 O ATOM 0 H SER A 70 8.324 7.858 -0.799 1.00 0.00 H new ATOM 0 HA SER A 70 8.521 8.614 2.050 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.255 8.747 0.915 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.358 7.030 0.578 1.00 0.00 H new ATOM 0 HG SER A 70 6.310 6.581 2.792 1.00 0.00 H new ATOM 1115 N LEU A 71 9.078 5.711 0.616 1.00 0.00 N ATOM 1116 CA LEU A 71 9.553 4.331 0.748 1.00 0.00 C ATOM 1117 C LEU A 71 10.714 4.140 1.680 1.00 0.00 C ATOM 1118 O LEU A 71 10.813 3.119 2.354 1.00 0.00 O ATOM 1119 CB LEU A 71 9.840 3.734 -0.635 1.00 0.00 C ATOM 1120 CG LEU A 71 10.845 4.446 -1.616 1.00 0.00 C ATOM 1121 CD1 LEU A 71 12.300 4.290 -1.216 1.00 0.00 C ATOM 1122 CD2 LEU A 71 10.643 3.945 -3.040 1.00 0.00 C ATOM 0 H LEU A 71 8.950 5.994 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 71 8.737 3.786 1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.206 2.719 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.886 3.652 -1.155 1.00 0.00 H new ATOM 0 HG LEU A 71 10.618 5.511 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.933 4.806 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 71 12.453 4.720 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.560 3.232 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.345 4.447 -3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.815 2.869 -3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.623 4.160 -3.360 1.00 0.00 H new ATOM 1134 N GLU A 72 11.584 5.104 1.706 1.00 0.00 N ATOM 1135 CA GLU A 72 12.744 5.047 2.546 1.00 0.00 C ATOM 1136 C GLU A 72 12.379 5.013 4.017 1.00 0.00 C ATOM 1137 O GLU A 72 12.964 4.265 4.802 1.00 0.00 O ATOM 1138 CB GLU A 72 13.683 6.202 2.233 1.00 0.00 C ATOM 1139 CG GLU A 72 14.700 6.487 3.317 1.00 0.00 C ATOM 1140 CD GLU A 72 15.809 7.382 2.854 1.00 0.00 C ATOM 1141 OE1 GLU A 72 15.621 8.616 2.839 1.00 0.00 O ATOM 1142 OE2 GLU A 72 16.889 6.879 2.487 1.00 0.00 O ATOM 0 H GLU A 72 11.511 5.953 1.146 1.00 0.00 H new ATOM 0 HA GLU A 72 13.264 4.113 2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.210 5.985 1.304 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.091 7.101 2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 72 14.198 6.949 4.167 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.122 5.546 3.669 1.00 0.00 H new ATOM 1149 N LYS A 73 11.394 5.770 4.362 1.00 0.00 N ATOM 1150 CA LYS A 73 11.022 5.908 5.720 1.00 0.00 C ATOM 1151 C LYS A 73 9.981 4.834 6.027 1.00 0.00 C ATOM 1152 O LYS A 73 10.265 3.849 6.700 1.00 0.00 O ATOM 1153 CB LYS A 73 10.432 7.304 5.947 1.00 0.00 C ATOM 1154 CG LYS A 73 11.281 8.433 5.384 1.00 0.00 C ATOM 1155 CD LYS A 73 10.636 9.787 5.616 1.00 0.00 C ATOM 1156 CE LYS A 73 11.462 10.898 4.994 1.00 0.00 C ATOM 1157 NZ LYS A 73 10.874 12.235 5.234 1.00 0.00 N ATOM 0 H LYS A 73 10.827 6.309 3.707 1.00 0.00 H new ATOM 0 HA LYS A 73 11.885 5.790 6.375 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.442 7.347 5.494 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.300 7.462 7.017 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.267 8.414 5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.430 8.279 4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.633 9.793 5.190 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.529 9.964 6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.472 10.869 5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.547 10.728 3.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.472 12.962 4.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.920 12.274 4.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.817 12.410 6.257 1.00 0.00 H new ATOM 1171 N ALA A 74 8.803 5.032 5.445 1.00 0.00 N ATOM 1172 CA ALA A 74 7.622 4.180 5.513 1.00 0.00 C ATOM 1173 C ALA A 74 6.482 5.058 5.076 1.00 0.00 C ATOM 1174 O ALA A 74 6.218 5.151 3.876 1.00 0.00 O ATOM 1175 CB ALA A 74 7.336 3.637 6.928 1.00 0.00 C ATOM 1176 OXT ALA A 74 5.937 5.783 5.931 1.00 0.00 O ATOM 0 H ALA A 74 8.637 5.857 4.869 1.00 0.00 H new ATOM 0 HA ALA A 74 7.766 3.299 4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.444 3.011 6.904 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.185 3.045 7.269 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.177 4.470 7.612 1.00 0.00 H new TER 1182 ALA A 74