USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 0 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 27 ASN : amide:sc= -7.18! C(o=-6.5!,f=-6.5!) USER MOD Set 1.2: A 101 SER OG : rot -48:sc= 0.699 USER MOD Set 2.1: A 29 GLN : amide:sc= -8.28! C(o=-8.3!,f=-8.2!) USER MOD Set 2.2: A 97 GLN : amide:sc= 0 K(o=-8.3,f=-9.4) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= -0.0021 (180deg=-0.52) USER MOD Single : A 12 ASN : amide:sc= -0.236 K(o=-0.24,f=-2!) USER MOD Single : A 16 GLN : amide:sc= -2.87! C(o=-2.9!,f=-4.1!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 156:sc= -0.0305 (180deg=-0.259) USER MOD Single : A 23 HIS : no HE2:sc= -6.07! C(o=-6.1!,f=-6.6!) USER MOD Single : A 24 SER OG : rot -114:sc= 0.551 USER MOD Single : A 34 THR OG1 : rot 171:sc= 0.889 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.247 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.227 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.0116 X(o=-0.012,f=-0.066) USER MOD Single : A 61 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0433) USER MOD Single : A 63 LYS NZ :NH3+ -153:sc= -0.011 (180deg=-0.209) USER MOD Single : A 69 ASN : amide:sc= -8.17! C(o=-8.2!,f=-11!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HE2:sc= -2.3! C(o=-2.3!,f=-7.6!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -49:sc= 0.112 USER MOD Single : A 76 HIS : no HD1:sc= -14.8! C(o=-15!,f=-14!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.394 K(o=-0.39,f=-4.3!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 163:sc= -7.62! (180deg=-8.89!) USER MOD Single : A 94 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.598 USER MOD Single : A 99 GLN : amide:sc= -2.4 K(o=-2.4,f=-4.1!) USER MOD Single : A 100 ASN : amide:sc= -0.317 K(o=-0.32,f=-1.6!) USER MOD Single : A 104 HIS : no HE2:sc= -11.4! C(o=-11!,f=-9.8!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -2.77! C(o=-2.8!,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 48 N TYR A 7 -8.972 -8.012 -5.367 1.00 0.00 N ATOM 49 CA TYR A 7 -7.740 -8.566 -4.834 1.00 0.00 C ATOM 50 C TYR A 7 -7.079 -7.592 -3.856 1.00 0.00 C ATOM 51 O TYR A 7 -5.880 -7.684 -3.599 1.00 0.00 O ATOM 52 CB TYR A 7 -6.814 -8.769 -6.035 1.00 0.00 C ATOM 53 CG TYR A 7 -7.520 -9.311 -7.279 1.00 0.00 C ATOM 54 CD1 TYR A 7 -7.871 -10.644 -7.349 1.00 0.00 C ATOM 55 CD2 TYR A 7 -7.806 -8.467 -8.333 1.00 0.00 C ATOM 56 CE1 TYR A 7 -8.535 -11.154 -8.520 1.00 0.00 C ATOM 57 CE2 TYR A 7 -8.470 -8.977 -9.505 1.00 0.00 C ATOM 58 CZ TYR A 7 -8.802 -10.295 -9.540 1.00 0.00 C ATOM 0 HA TYR A 7 -7.938 -9.493 -4.297 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -6.343 -7.818 -6.282 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -6.016 -9.456 -5.754 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.647 -11.305 -6.525 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.532 -7.424 -8.279 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.815 -12.195 -8.587 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -8.699 -8.327 -10.337 1.00 0.00 H new ATOM 59 N ARG A 8 -7.892 -6.683 -3.337 1.00 0.00 N ATOM 60 CA ARG A 8 -7.401 -5.694 -2.393 1.00 0.00 C ATOM 61 C ARG A 8 -7.134 -6.344 -1.033 1.00 0.00 C ATOM 62 O ARG A 8 -7.957 -7.110 -0.536 1.00 0.00 O ATOM 63 CB ARG A 8 -8.406 -4.555 -2.216 1.00 0.00 C ATOM 64 CG ARG A 8 -8.518 -3.720 -3.494 1.00 0.00 C ATOM 65 CD ARG A 8 -8.860 -2.264 -3.169 1.00 0.00 C ATOM 66 NE ARG A 8 -10.097 -1.866 -3.878 1.00 0.00 N ATOM 67 CZ ARG A 8 -10.891 -0.856 -3.493 1.00 0.00 C ATOM 0 H ARG A 8 -8.886 -6.611 -3.552 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.473 -5.286 -2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.383 -4.964 -1.957 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.097 -3.918 -1.387 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.578 -3.763 -4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.286 -4.142 -4.142 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.992 -2.144 -2.094 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.036 -1.614 -3.464 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.362 -2.392 -4.711 1.00 0.00 H new ATOM 68 N ILE A 9 -5.981 -6.013 -0.471 1.00 0.00 N ATOM 69 CA ILE A 9 -5.596 -6.555 0.821 1.00 0.00 C ATOM 70 C ILE A 9 -6.749 -6.373 1.810 1.00 0.00 C ATOM 71 O ILE A 9 -6.871 -5.325 2.442 1.00 0.00 O ATOM 72 CB ILE A 9 -4.280 -5.934 1.292 1.00 0.00 C ATOM 73 CG1 ILE A 9 -3.302 -5.772 0.126 1.00 0.00 C ATOM 74 CG2 ILE A 9 -3.673 -6.741 2.441 1.00 0.00 C ATOM 75 CD1 ILE A 9 -3.388 -6.963 -0.831 1.00 0.00 C ATOM 0 H ILE A 9 -5.301 -5.376 -0.886 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.407 -7.626 0.743 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.491 -4.936 1.676 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.523 -4.851 -0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.286 -5.681 0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.738 -6.278 2.757 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.369 -6.761 3.279 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.478 -7.760 2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.683 -6.823 -1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.143 -7.879 -0.294 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.399 -7.036 -1.231 1.00 0.00 H new ATOM 76 N LYS A 10 -7.568 -7.411 1.913 1.00 0.00 N ATOM 77 CA LYS A 10 -8.707 -7.378 2.814 1.00 0.00 C ATOM 78 C LYS A 10 -8.239 -7.709 4.233 1.00 0.00 C ATOM 79 O LYS A 10 -8.757 -7.160 5.204 1.00 0.00 O ATOM 80 CB LYS A 10 -9.819 -8.297 2.304 1.00 0.00 C ATOM 81 CG LYS A 10 -11.147 -7.989 2.999 1.00 0.00 C ATOM 82 CD LYS A 10 -11.941 -6.937 2.221 1.00 0.00 C ATOM 83 CE LYS A 10 -11.913 -5.586 2.940 1.00 0.00 C ATOM 84 NZ LYS A 10 -13.260 -5.241 3.447 1.00 0.00 N ATOM 0 H LYS A 10 -7.465 -8.279 1.387 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.140 -6.378 2.845 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.931 -8.175 1.227 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.545 -9.337 2.480 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.736 -8.902 3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.958 -7.632 4.011 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.524 -6.829 1.220 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.973 -7.269 2.103 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.205 -5.622 3.768 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.565 -4.811 2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.223 -4.322 3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.927 -5.186 2.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.577 -5.972 4.115 1.00 0.00 H new ATOM 85 N LYS A 11 -7.266 -8.604 4.308 1.00 0.00 N ATOM 86 CA LYS A 11 -6.722 -9.014 5.591 1.00 0.00 C ATOM 87 C LYS A 11 -5.435 -8.234 5.868 1.00 0.00 C ATOM 88 O LYS A 11 -4.847 -7.656 4.955 1.00 0.00 O ATOM 89 CB LYS A 11 -6.542 -10.533 5.637 1.00 0.00 C ATOM 90 CG LYS A 11 -7.037 -11.104 6.967 1.00 0.00 C ATOM 91 CD LYS A 11 -5.951 -11.946 7.640 1.00 0.00 C ATOM 92 CE LYS A 11 -6.076 -13.418 7.247 1.00 0.00 C ATOM 93 NZ LYS A 11 -4.938 -13.826 6.392 1.00 0.00 N ATOM 0 H LYS A 11 -6.840 -9.057 3.500 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.420 -8.774 6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.089 -10.993 4.814 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.490 -10.782 5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.333 -10.290 7.629 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.923 -11.715 6.797 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.967 -11.572 7.355 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.028 -11.847 8.723 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.106 -14.038 8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.014 -13.580 6.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.172 -14.714 5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.748 -13.084 5.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.094 -13.967 6.982 1.00 0.00 H new ATOM 94 N ASN A 12 -5.036 -8.242 7.131 1.00 0.00 N ATOM 95 CA ASN A 12 -3.829 -7.543 7.540 1.00 0.00 C ATOM 96 C ASN A 12 -2.605 -8.354 7.110 1.00 0.00 C ATOM 97 O ASN A 12 -1.690 -7.820 6.485 1.00 0.00 O ATOM 98 CB ASN A 12 -3.778 -7.376 9.060 1.00 0.00 C ATOM 99 CG ASN A 12 -4.211 -5.968 9.471 1.00 0.00 C ATOM 100 OD1 ASN A 12 -4.090 -5.010 8.727 1.00 0.00 O ATOM 101 ND2 ASN A 12 -4.723 -5.897 10.697 1.00 0.00 N ATOM 0 H ASN A 12 -5.527 -8.722 7.885 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.832 -6.560 7.070 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -4.428 -8.113 9.532 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.766 -7.568 9.417 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.043 -5.001 11.065 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.796 -6.739 11.269 1.00 0.00 H new ATOM 102 N ALA A 13 -2.627 -9.630 7.465 1.00 0.00 N ATOM 103 CA ALA A 13 -1.530 -10.520 7.124 1.00 0.00 C ATOM 104 C ALA A 13 -1.166 -10.334 5.650 1.00 0.00 C ATOM 105 O ALA A 13 -0.003 -10.115 5.316 1.00 0.00 O ATOM 106 CB ALA A 13 -1.922 -11.962 7.450 1.00 0.00 C ATOM 0 H ALA A 13 -3.387 -10.069 7.985 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.645 -10.281 7.714 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.099 -12.629 7.194 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.141 -12.048 8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.805 -12.238 6.874 1.00 0.00 H new ATOM 107 N ASP A 14 -2.183 -10.427 4.806 1.00 0.00 N ATOM 108 CA ASP A 14 -1.986 -10.272 3.375 1.00 0.00 C ATOM 109 C ASP A 14 -1.182 -8.997 3.111 1.00 0.00 C ATOM 110 O ASP A 14 -0.493 -8.892 2.098 1.00 0.00 O ATOM 111 CB ASP A 14 -3.324 -10.147 2.645 1.00 0.00 C ATOM 112 CG ASP A 14 -3.958 -11.475 2.224 1.00 0.00 C ATOM 113 OD1 ASP A 14 -3.577 -12.502 2.827 1.00 0.00 O ATOM 114 OD2 ASP A 14 -4.808 -11.433 1.309 1.00 0.00 O ATOM 0 H ASP A 14 -3.147 -10.608 5.086 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.457 -11.153 3.010 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.024 -9.616 3.290 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.180 -9.533 1.756 1.00 0.00 H new ATOM 115 N PHE A 15 -1.297 -8.060 4.041 1.00 0.00 N ATOM 116 CA PHE A 15 -0.591 -6.796 3.921 1.00 0.00 C ATOM 117 C PHE A 15 0.742 -6.841 4.672 1.00 0.00 C ATOM 118 O PHE A 15 1.746 -6.316 4.192 1.00 0.00 O ATOM 119 CB PHE A 15 -1.482 -5.724 4.551 1.00 0.00 C ATOM 120 CG PHE A 15 -1.746 -4.521 3.642 1.00 0.00 C ATOM 121 CD1 PHE A 15 -0.736 -3.999 2.896 1.00 0.00 C ATOM 122 CD2 PHE A 15 -2.990 -3.975 3.581 1.00 0.00 C ATOM 123 CE1 PHE A 15 -0.982 -2.883 2.053 1.00 0.00 C ATOM 124 CE2 PHE A 15 -3.235 -2.859 2.738 1.00 0.00 C ATOM 125 CZ PHE A 15 -2.225 -2.337 1.991 1.00 0.00 C ATOM 0 H PHE A 15 -1.869 -8.151 4.881 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.381 -6.585 2.873 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.436 -6.175 4.826 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.016 -5.375 5.473 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.252 -4.433 2.945 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -3.792 -4.390 4.174 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.180 -2.468 1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.223 -2.425 2.690 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.411 -1.489 1.349 1.00 0.00 H new ATOM 126 N GLN A 16 0.708 -7.471 5.836 1.00 0.00 N ATOM 127 CA GLN A 16 1.901 -7.591 6.658 1.00 0.00 C ATOM 128 C GLN A 16 2.946 -8.458 5.953 1.00 0.00 C ATOM 129 O GLN A 16 4.145 -8.218 6.080 1.00 0.00 O ATOM 130 CB GLN A 16 1.561 -8.156 8.039 1.00 0.00 C ATOM 131 CG GLN A 16 1.706 -9.678 8.059 1.00 0.00 C ATOM 132 CD GLN A 16 3.164 -10.087 8.281 1.00 0.00 C ATOM 133 OE1 GLN A 16 3.941 -9.394 8.916 1.00 0.00 O ATOM 134 NE2 GLN A 16 3.490 -11.250 7.722 1.00 0.00 N ATOM 0 H GLN A 16 -0.127 -7.904 6.230 1.00 0.00 H new ATOM 0 HA GLN A 16 2.321 -6.595 6.802 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.218 -7.715 8.788 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.541 -7.881 8.308 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.083 -10.096 8.850 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.347 -10.094 7.117 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.790 -11.780 7.203 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.440 -11.611 7.812 1.00 0.00 H new ATOM 135 N ARG A 17 2.452 -9.448 5.224 1.00 0.00 N ATOM 136 CA ARG A 17 3.328 -10.353 4.499 1.00 0.00 C ATOM 137 C ARG A 17 4.159 -9.578 3.473 1.00 0.00 C ATOM 138 O ARG A 17 5.295 -9.951 3.180 1.00 0.00 O ATOM 139 CB ARG A 17 2.526 -11.439 3.779 1.00 0.00 C ATOM 140 CG ARG A 17 2.883 -12.828 4.311 1.00 0.00 C ATOM 141 CD ARG A 17 2.847 -13.870 3.192 1.00 0.00 C ATOM 142 NE ARG A 17 1.607 -14.672 3.286 1.00 0.00 N ATOM 143 CZ ARG A 17 1.464 -15.745 4.077 1.00 0.00 C ATOM 0 H ARG A 17 1.456 -9.643 5.120 1.00 0.00 H new ATOM 0 HA ARG A 17 3.989 -10.827 5.225 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.460 -11.257 3.913 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.725 -11.394 2.708 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.876 -12.805 4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.184 -13.110 5.098 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.897 -13.376 2.222 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.718 -14.522 3.263 1.00 0.00 H new ATOM 0 HE ARG A 17 0.811 -14.391 2.713 1.00 0.00 H new ATOM 144 N ILE A 18 3.562 -8.515 2.957 1.00 0.00 N ATOM 145 CA ILE A 18 4.232 -7.685 1.971 1.00 0.00 C ATOM 146 C ILE A 18 5.302 -6.839 2.665 1.00 0.00 C ATOM 147 O ILE A 18 6.494 -7.013 2.414 1.00 0.00 O ATOM 148 CB ILE A 18 3.213 -6.860 1.182 1.00 0.00 C ATOM 149 CG1 ILE A 18 1.959 -7.683 0.880 1.00 0.00 C ATOM 150 CG2 ILE A 18 3.840 -6.284 -0.088 1.00 0.00 C ATOM 151 CD1 ILE A 18 2.324 -9.035 0.265 1.00 0.00 C ATOM 0 H ILE A 18 2.621 -8.209 3.203 1.00 0.00 H new ATOM 0 HA ILE A 18 4.743 -8.306 1.235 1.00 0.00 H new ATOM 0 HB ILE A 18 2.904 -6.016 1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.392 -7.838 1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.314 -7.131 0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.095 -5.702 -0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.678 -5.641 0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.195 -7.098 -0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.414 -9.599 0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.869 -8.876 -0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.949 -9.594 0.961 1.00 0.00 H new ATOM 152 N TYR A 19 4.838 -5.944 3.524 1.00 0.00 N ATOM 153 CA TYR A 19 5.740 -5.071 4.256 1.00 0.00 C ATOM 154 C TYR A 19 6.824 -5.879 4.972 1.00 0.00 C ATOM 155 O TYR A 19 7.856 -5.334 5.359 1.00 0.00 O ATOM 156 CB TYR A 19 4.880 -4.356 5.300 1.00 0.00 C ATOM 157 CG TYR A 19 4.232 -3.066 4.794 1.00 0.00 C ATOM 158 CD1 TYR A 19 3.339 -3.109 3.741 1.00 0.00 C ATOM 159 CD2 TYR A 19 4.538 -1.860 5.390 1.00 0.00 C ATOM 160 CE1 TYR A 19 2.729 -1.895 3.265 1.00 0.00 C ATOM 161 CE2 TYR A 19 3.927 -0.646 4.913 1.00 0.00 C ATOM 162 CZ TYR A 19 3.053 -0.723 3.874 1.00 0.00 C ATOM 0 H TYR A 19 3.849 -5.804 3.730 1.00 0.00 H new ATOM 0 HA TYR A 19 6.237 -4.377 3.578 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.097 -5.035 5.638 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.498 -4.124 6.168 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.098 -4.053 3.275 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.235 -1.826 6.214 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.029 -1.915 2.442 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.158 0.305 5.371 1.00 0.00 H new ATOM 163 N LYS A 20 6.553 -7.167 5.126 1.00 0.00 N ATOM 164 CA LYS A 20 7.491 -8.056 5.789 1.00 0.00 C ATOM 165 C LYS A 20 8.859 -7.943 5.112 1.00 0.00 C ATOM 166 O LYS A 20 9.740 -7.236 5.598 1.00 0.00 O ATOM 167 CB LYS A 20 6.941 -9.483 5.829 1.00 0.00 C ATOM 168 CG LYS A 20 7.896 -10.418 6.574 1.00 0.00 C ATOM 169 CD LYS A 20 7.989 -11.776 5.875 1.00 0.00 C ATOM 170 CE LYS A 20 7.980 -12.918 6.892 1.00 0.00 C ATOM 171 NZ LYS A 20 9.191 -13.755 6.742 1.00 0.00 N ATOM 0 H LYS A 20 5.696 -7.616 4.802 1.00 0.00 H new ATOM 0 HA LYS A 20 7.624 -7.761 6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.967 -9.488 6.318 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.789 -9.847 4.813 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.886 -9.965 6.629 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.551 -10.555 7.599 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.153 -11.892 5.185 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.901 -11.821 5.280 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.934 -12.512 7.903 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.089 -13.530 6.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.169 -14.526 7.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.219 -14.157 5.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.038 -13.171 6.897 1.00 0.00 H new ATOM 172 N LYS A 21 8.993 -8.651 3.999 1.00 0.00 N ATOM 173 CA LYS A 21 10.237 -8.639 3.250 1.00 0.00 C ATOM 174 C LYS A 21 9.959 -8.191 1.814 1.00 0.00 C ATOM 175 O LYS A 21 10.828 -8.291 0.950 1.00 0.00 O ATOM 176 CB LYS A 21 10.933 -9.998 3.346 1.00 0.00 C ATOM 177 CG LYS A 21 12.300 -9.868 4.021 1.00 0.00 C ATOM 178 CD LYS A 21 13.416 -9.755 2.982 1.00 0.00 C ATOM 179 CE LYS A 21 13.921 -8.314 2.873 1.00 0.00 C ATOM 180 NZ LYS A 21 14.655 -7.928 4.099 1.00 0.00 N ATOM 0 H LYS A 21 8.260 -9.236 3.599 1.00 0.00 H new ATOM 0 HA LYS A 21 10.933 -7.919 3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.309 -10.691 3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.055 -10.419 2.348 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.309 -8.990 4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.478 -10.734 4.659 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.241 -10.413 3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.049 -10.090 2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.573 -8.216 2.005 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.080 -7.638 2.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.316 -7.156 3.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.979 -7.609 4.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.186 -8.747 4.458 1.00 0.00 H new ATOM 181 N GLY A 22 8.744 -7.704 1.604 1.00 0.00 N ATOM 182 CA GLY A 22 8.341 -7.240 0.288 1.00 0.00 C ATOM 183 C GLY A 22 9.405 -6.324 -0.321 1.00 0.00 C ATOM 184 O GLY A 22 10.241 -5.776 0.396 1.00 0.00 O ATOM 0 H GLY A 22 8.026 -7.621 2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.174 -8.095 -0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.394 -6.705 0.361 1.00 0.00 H new ATOM 185 N HIS A 23 9.341 -6.188 -1.637 1.00 0.00 N ATOM 186 CA HIS A 23 10.288 -5.348 -2.350 1.00 0.00 C ATOM 187 C HIS A 23 9.563 -4.129 -2.923 1.00 0.00 C ATOM 188 O HIS A 23 8.870 -4.232 -3.933 1.00 0.00 O ATOM 189 CB HIS A 23 11.030 -6.154 -3.419 1.00 0.00 C ATOM 190 CG HIS A 23 11.765 -5.303 -4.428 1.00 0.00 C ATOM 191 ND1 HIS A 23 13.145 -5.224 -4.478 1.00 0.00 N ATOM 192 CD2 HIS A 23 11.296 -4.498 -5.423 1.00 0.00 C ATOM 193 CE1 HIS A 23 13.482 -4.404 -5.463 1.00 0.00 C ATOM 194 NE2 HIS A 23 12.335 -3.956 -6.048 1.00 0.00 N ATOM 0 H HIS A 23 8.648 -6.646 -2.229 1.00 0.00 H new ATOM 0 HA HIS A 23 11.048 -4.983 -1.659 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.743 -6.817 -2.930 1.00 0.00 H new ATOM 0 HB3 HIS A 23 10.315 -6.787 -3.944 1.00 0.00 H new ATOM 0 HD1 HIS A 23 13.793 -5.714 -3.861 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.256 -4.330 -5.662 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.488 -4.138 -5.751 1.00 0.00 H new ATOM 195 N SER A 24 9.748 -3.001 -2.252 1.00 0.00 N ATOM 196 CA SER A 24 9.121 -1.763 -2.681 1.00 0.00 C ATOM 197 C SER A 24 9.961 -1.103 -3.776 1.00 0.00 C ATOM 198 O SER A 24 11.176 -1.288 -3.827 1.00 0.00 O ATOM 199 CB SER A 24 8.934 -0.803 -1.505 1.00 0.00 C ATOM 200 OG SER A 24 9.850 -1.072 -0.446 1.00 0.00 O ATOM 0 H SER A 24 10.324 -2.919 -1.414 1.00 0.00 H new ATOM 0 HA SER A 24 8.135 -2.000 -3.081 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.068 0.223 -1.849 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.913 -0.882 -1.131 1.00 0.00 H new ATOM 0 HG SER A 24 9.357 -1.384 0.341 1.00 0.00 H new ATOM 201 N VAL A 25 9.281 -0.346 -4.624 1.00 0.00 N ATOM 202 CA VAL A 25 9.949 0.343 -5.715 1.00 0.00 C ATOM 203 C VAL A 25 9.304 1.715 -5.918 1.00 0.00 C ATOM 204 O VAL A 25 8.090 1.815 -6.091 1.00 0.00 O ATOM 205 CB VAL A 25 9.922 -0.523 -6.976 1.00 0.00 C ATOM 206 CG1 VAL A 25 10.584 -1.879 -6.725 1.00 0.00 C ATOM 207 CG2 VAL A 25 8.491 -0.698 -7.489 1.00 0.00 C ATOM 0 H VAL A 25 8.273 -0.194 -4.578 1.00 0.00 H new ATOM 0 HA VAL A 25 10.999 0.510 -5.474 1.00 0.00 H new ATOM 0 HB VAL A 25 10.495 -0.009 -7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.551 -2.474 -7.637 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.622 -1.728 -6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.052 -2.402 -5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.499 -1.317 -8.386 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.886 -1.179 -6.721 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.068 0.278 -7.726 1.00 0.00 H new ATOM 208 N ALA A 26 10.144 2.739 -5.889 1.00 0.00 N ATOM 209 CA ALA A 26 9.671 4.100 -6.068 1.00 0.00 C ATOM 210 C ALA A 26 10.373 4.726 -7.275 1.00 0.00 C ATOM 211 O ALA A 26 11.588 4.601 -7.424 1.00 0.00 O ATOM 212 CB ALA A 26 9.905 4.896 -4.781 1.00 0.00 C ATOM 0 H ALA A 26 11.150 2.653 -5.744 1.00 0.00 H new ATOM 0 HA ALA A 26 8.600 4.110 -6.268 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.550 5.918 -4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.362 4.428 -3.960 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.970 4.910 -4.550 1.00 0.00 H new ATOM 213 N ASN A 27 9.579 5.385 -8.106 1.00 0.00 N ATOM 214 CA ASN A 27 10.109 6.029 -9.295 1.00 0.00 C ATOM 215 C ASN A 27 10.396 7.501 -8.987 1.00 0.00 C ATOM 216 O ASN A 27 11.528 7.959 -9.132 1.00 0.00 O ATOM 217 CB ASN A 27 9.102 5.975 -10.446 1.00 0.00 C ATOM 218 CG ASN A 27 8.149 7.171 -10.399 1.00 0.00 C ATOM 219 OD1 ASN A 27 8.243 8.104 -11.179 1.00 0.00 O ATOM 220 ND2 ASN A 27 7.230 7.092 -9.441 1.00 0.00 N ATOM 0 H ASN A 27 8.572 5.487 -7.979 1.00 0.00 H new ATOM 0 HA ASN A 27 11.018 5.504 -9.586 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.633 5.966 -11.398 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.531 5.048 -10.391 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.548 7.841 -9.326 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.207 6.282 -8.822 1.00 0.00 H new ATOM 221 N ARG A 28 9.351 8.199 -8.570 1.00 0.00 N ATOM 222 CA ARG A 28 9.476 9.609 -8.240 1.00 0.00 C ATOM 223 C ARG A 28 8.900 9.883 -6.850 1.00 0.00 C ATOM 224 O ARG A 28 9.647 10.080 -5.893 1.00 0.00 O ATOM 225 CB ARG A 28 8.749 10.482 -9.266 1.00 0.00 C ATOM 226 CG ARG A 28 9.666 10.825 -10.442 1.00 0.00 C ATOM 227 CD ARG A 28 8.856 11.066 -11.717 1.00 0.00 C ATOM 228 NE ARG A 28 8.472 12.492 -11.811 1.00 0.00 N ATOM 229 CZ ARG A 28 9.347 13.499 -11.940 1.00 0.00 C ATOM 0 H ARG A 28 8.413 7.815 -8.453 1.00 0.00 H new ATOM 0 HA ARG A 28 10.537 9.859 -8.253 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.864 9.961 -9.630 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.405 11.400 -8.789 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.250 11.714 -10.205 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.374 10.012 -10.605 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.443 10.781 -12.590 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.964 10.440 -11.715 1.00 0.00 H new ATOM 0 HE ARG A 28 7.479 12.723 -11.775 1.00 0.00 H new ATOM 230 N GLN A 29 7.577 9.886 -6.782 1.00 0.00 N ATOM 231 CA GLN A 29 6.892 10.132 -5.525 1.00 0.00 C ATOM 232 C GLN A 29 6.023 8.930 -5.149 1.00 0.00 C ATOM 233 O GLN A 29 5.426 8.903 -4.074 1.00 0.00 O ATOM 234 CB GLN A 29 6.056 11.411 -5.596 1.00 0.00 C ATOM 235 CG GLN A 29 5.063 11.353 -6.759 1.00 0.00 C ATOM 236 CD GLN A 29 5.190 12.589 -7.650 1.00 0.00 C ATOM 237 OE1 GLN A 29 5.454 13.691 -7.195 1.00 0.00 O ATOM 238 NE2 GLN A 29 4.986 12.348 -8.942 1.00 0.00 N ATOM 0 H GLN A 29 6.961 9.722 -7.578 1.00 0.00 H new ATOM 0 HA GLN A 29 7.643 10.271 -4.747 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.517 11.550 -4.659 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.713 12.273 -5.716 1.00 0.00 H new ATOM 0 HG2 GLN A 29 5.241 10.455 -7.350 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.047 11.283 -6.371 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.769 11.402 -9.256 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.047 13.109 -9.619 1.00 0.00 H new ATOM 239 N PHE A 30 5.981 7.965 -6.055 1.00 0.00 N ATOM 240 CA PHE A 30 5.195 6.763 -5.832 1.00 0.00 C ATOM 241 C PHE A 30 6.083 5.604 -5.375 1.00 0.00 C ATOM 242 O PHE A 30 7.282 5.589 -5.650 1.00 0.00 O ATOM 243 CB PHE A 30 4.549 6.397 -7.170 1.00 0.00 C ATOM 244 CG PHE A 30 3.021 6.349 -7.131 1.00 0.00 C ATOM 245 CD1 PHE A 30 2.309 7.497 -6.970 1.00 0.00 C ATOM 246 CD2 PHE A 30 2.374 5.160 -7.257 1.00 0.00 C ATOM 247 CE1 PHE A 30 0.890 7.453 -6.933 1.00 0.00 C ATOM 248 CE2 PHE A 30 0.955 5.115 -7.221 1.00 0.00 C ATOM 249 CZ PHE A 30 0.243 6.263 -7.059 1.00 0.00 C ATOM 0 H PHE A 30 6.478 7.990 -6.945 1.00 0.00 H new ATOM 0 HA PHE A 30 4.451 6.944 -5.056 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.860 7.122 -7.922 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.925 5.425 -7.489 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.823 8.442 -6.870 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.940 4.249 -7.385 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.325 8.364 -6.805 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.441 4.170 -7.322 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.836 6.230 -7.030 1.00 0.00 H new ATOM 250 N VAL A 31 5.461 4.663 -4.681 1.00 0.00 N ATOM 251 CA VAL A 31 6.180 3.503 -4.182 1.00 0.00 C ATOM 252 C VAL A 31 5.256 2.283 -4.212 1.00 0.00 C ATOM 253 O VAL A 31 4.360 2.158 -3.379 1.00 0.00 O ATOM 254 CB VAL A 31 6.739 3.794 -2.788 1.00 0.00 C ATOM 255 CG1 VAL A 31 5.856 4.794 -2.040 1.00 0.00 C ATOM 256 CG2 VAL A 31 6.909 2.503 -1.983 1.00 0.00 C ATOM 0 H VAL A 31 4.467 4.680 -4.452 1.00 0.00 H new ATOM 0 HA VAL A 31 7.034 3.280 -4.821 1.00 0.00 H new ATOM 0 HB VAL A 31 7.724 4.244 -2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.276 4.983 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.810 5.728 -2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.851 4.384 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.308 2.739 -0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.942 2.011 -1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.598 1.838 -2.503 1.00 0.00 H new ATOM 257 N VAL A 32 5.506 1.415 -5.181 1.00 0.00 N ATOM 258 CA VAL A 32 4.708 0.210 -5.330 1.00 0.00 C ATOM 259 C VAL A 32 5.448 -0.969 -4.694 1.00 0.00 C ATOM 260 O VAL A 32 6.647 -1.144 -4.908 1.00 0.00 O ATOM 261 CB VAL A 32 4.378 -0.019 -6.807 1.00 0.00 C ATOM 262 CG1 VAL A 32 3.572 1.150 -7.375 1.00 0.00 C ATOM 263 CG2 VAL A 32 5.650 -0.256 -7.622 1.00 0.00 C ATOM 0 H VAL A 32 6.250 1.522 -5.871 1.00 0.00 H new ATOM 0 HA VAL A 32 3.756 0.316 -4.810 1.00 0.00 H new ATOM 0 HB VAL A 32 3.763 -0.916 -6.879 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.350 0.963 -8.426 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.639 1.253 -6.820 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.151 2.069 -7.285 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.388 -0.416 -8.668 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.302 0.614 -7.540 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.169 -1.135 -7.240 1.00 0.00 H new ATOM 264 N TYR A 33 4.703 -1.748 -3.924 1.00 0.00 N ATOM 265 CA TYR A 33 5.272 -2.905 -3.256 1.00 0.00 C ATOM 266 C TYR A 33 4.870 -4.201 -3.962 1.00 0.00 C ATOM 267 O TYR A 33 3.696 -4.406 -4.270 1.00 0.00 O ATOM 268 CB TYR A 33 4.686 -2.907 -1.842 1.00 0.00 C ATOM 269 CG TYR A 33 5.476 -2.063 -0.840 1.00 0.00 C ATOM 270 CD1 TYR A 33 5.311 -0.693 -0.809 1.00 0.00 C ATOM 271 CD2 TYR A 33 6.356 -2.671 0.033 1.00 0.00 C ATOM 272 CE1 TYR A 33 6.054 0.101 0.135 1.00 0.00 C ATOM 273 CE2 TYR A 33 7.099 -1.877 0.976 1.00 0.00 C ATOM 274 CZ TYR A 33 6.911 -0.530 0.980 1.00 0.00 C ATOM 0 H TYR A 33 3.709 -1.600 -3.748 1.00 0.00 H new ATOM 0 HA TYR A 33 6.361 -2.851 -3.258 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.661 -2.538 -1.884 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.640 -3.934 -1.480 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.624 -0.216 -1.493 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.487 -3.743 0.008 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.933 1.174 0.171 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.790 -2.340 1.665 1.00 0.00 H new ATOM 275 N THR A 34 5.866 -5.042 -4.200 1.00 0.00 N ATOM 276 CA THR A 34 5.630 -6.312 -4.865 1.00 0.00 C ATOM 277 C THR A 34 6.604 -7.373 -4.349 1.00 0.00 C ATOM 278 O THR A 34 7.713 -7.049 -3.926 1.00 0.00 O ATOM 279 CB THR A 34 5.727 -6.080 -6.375 1.00 0.00 C ATOM 280 OG1 THR A 34 7.030 -5.535 -6.559 1.00 0.00 O ATOM 281 CG2 THR A 34 4.787 -4.974 -6.858 1.00 0.00 C ATOM 0 H THR A 34 6.838 -4.869 -3.944 1.00 0.00 H new ATOM 0 HA THR A 34 4.634 -6.696 -4.644 1.00 0.00 H new ATOM 0 HB THR A 34 5.497 -7.007 -6.901 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.232 -5.488 -7.517 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.895 -4.850 -7.935 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.757 -5.245 -6.625 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.038 -4.039 -6.358 1.00 0.00 H new ATOM 282 N CYS A 35 6.156 -8.618 -4.402 1.00 0.00 N ATOM 283 CA CYS A 35 6.974 -9.729 -3.947 1.00 0.00 C ATOM 284 C CYS A 35 6.220 -11.029 -4.229 1.00 0.00 C ATOM 285 O CYS A 35 5.065 -11.002 -4.654 1.00 0.00 O ATOM 286 CB CYS A 35 7.339 -9.592 -2.467 1.00 0.00 C ATOM 287 SG CYS A 35 9.107 -9.996 -2.219 1.00 0.00 S ATOM 0 H CYS A 35 5.236 -8.882 -4.754 1.00 0.00 H new ATOM 0 HA CYS A 35 7.919 -9.734 -4.490 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.138 -8.576 -2.127 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.718 -10.257 -1.868 1.00 0.00 H new ATOM 0 HG CYS A 35 9.407 -9.875 -0.960 1.00 0.00 H new ATOM 338 N HIS A 42 -3.390 -14.102 -8.039 1.00 0.00 N ATOM 339 CA HIS A 42 -4.004 -12.932 -8.645 1.00 0.00 C ATOM 340 C HIS A 42 -3.269 -11.672 -8.183 1.00 0.00 C ATOM 341 O HIS A 42 -2.576 -11.690 -7.167 1.00 0.00 O ATOM 342 CB HIS A 42 -5.503 -12.889 -8.344 1.00 0.00 C ATOM 343 CG HIS A 42 -5.874 -13.444 -6.989 1.00 0.00 C ATOM 344 ND1 HIS A 42 -6.767 -14.488 -6.826 1.00 0.00 N ATOM 345 CD2 HIS A 42 -5.464 -13.089 -5.738 1.00 0.00 C ATOM 346 CE1 HIS A 42 -6.883 -14.741 -5.530 1.00 0.00 C ATOM 347 NE2 HIS A 42 -6.074 -13.872 -4.857 1.00 0.00 N ATOM 0 HA HIS A 42 -3.912 -12.987 -9.730 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.847 -11.857 -8.409 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -6.034 -13.450 -9.113 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -4.761 -12.303 -5.504 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -7.508 -15.501 -5.085 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -5.957 -13.831 -3.845 1.00 0.00 H new ATOM 348 N PHE A 43 -3.446 -10.608 -8.953 1.00 0.00 N ATOM 349 CA PHE A 43 -2.809 -9.342 -8.637 1.00 0.00 C ATOM 350 C PHE A 43 -3.574 -8.603 -7.537 1.00 0.00 C ATOM 351 O PHE A 43 -4.676 -8.105 -7.768 1.00 0.00 O ATOM 352 CB PHE A 43 -2.832 -8.497 -9.912 1.00 0.00 C ATOM 353 CG PHE A 43 -4.225 -8.003 -10.306 1.00 0.00 C ATOM 354 CD1 PHE A 43 -5.039 -8.791 -11.058 1.00 0.00 C ATOM 355 CD2 PHE A 43 -4.649 -6.774 -9.903 1.00 0.00 C ATOM 356 CE1 PHE A 43 -6.333 -8.330 -11.423 1.00 0.00 C ATOM 357 CE2 PHE A 43 -5.942 -6.315 -10.268 1.00 0.00 C ATOM 358 CZ PHE A 43 -6.757 -7.103 -11.021 1.00 0.00 C ATOM 0 H PHE A 43 -4.022 -10.597 -9.795 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.793 -9.516 -8.283 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.177 -7.636 -9.777 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.421 -9.085 -10.733 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.703 -9.766 -11.378 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.002 -6.148 -9.306 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.980 -8.955 -12.020 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.279 -5.340 -9.948 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.740 -6.753 -11.299 1.00 0.00 H new ATOM 359 N ARG A 44 -2.961 -8.554 -6.363 1.00 0.00 N ATOM 360 CA ARG A 44 -3.571 -7.884 -5.226 1.00 0.00 C ATOM 361 C ARG A 44 -3.329 -6.376 -5.308 1.00 0.00 C ATOM 362 O ARG A 44 -2.207 -5.911 -5.113 1.00 0.00 O ATOM 363 CB ARG A 44 -3.006 -8.413 -3.908 1.00 0.00 C ATOM 364 CG ARG A 44 -3.284 -9.910 -3.753 1.00 0.00 C ATOM 365 CD ARG A 44 -3.140 -10.347 -2.294 1.00 0.00 C ATOM 366 NE ARG A 44 -1.724 -10.656 -1.995 1.00 0.00 N ATOM 367 CZ ARG A 44 -1.296 -11.171 -0.834 1.00 0.00 C ATOM 0 H ARG A 44 -2.048 -8.967 -6.174 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.642 -8.086 -5.256 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.932 -8.233 -3.871 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.449 -7.869 -3.074 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.290 -10.135 -4.106 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.593 -10.478 -4.376 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.496 -9.557 -1.633 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.760 -11.224 -2.106 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.030 -10.465 -2.718 1.00 0.00 H new ATOM 368 N LEU A 45 -4.401 -5.652 -5.597 1.00 0.00 N ATOM 369 CA LEU A 45 -4.321 -4.205 -5.707 1.00 0.00 C ATOM 370 C LEU A 45 -4.361 -3.589 -4.308 1.00 0.00 C ATOM 371 O LEU A 45 -5.402 -3.597 -3.652 1.00 0.00 O ATOM 372 CB LEU A 45 -5.410 -3.677 -6.643 1.00 0.00 C ATOM 373 CG LEU A 45 -4.921 -2.931 -7.886 1.00 0.00 C ATOM 374 CD1 LEU A 45 -5.997 -2.917 -8.975 1.00 0.00 C ATOM 375 CD2 LEU A 45 -4.447 -1.521 -7.530 1.00 0.00 C ATOM 0 H LEU A 45 -5.330 -6.041 -5.758 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.374 -3.909 -6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.023 -4.518 -6.966 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.058 -3.010 -6.075 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.061 -3.466 -8.289 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.624 -2.381 -9.848 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.243 -3.941 -9.256 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.890 -2.419 -8.597 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.105 -1.014 -8.432 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.271 -0.961 -7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.626 -1.583 -6.815 1.00 0.00 H new ATOM 376 N GLY A 46 -3.216 -3.070 -3.891 1.00 0.00 N ATOM 377 CA GLY A 46 -3.108 -2.451 -2.580 1.00 0.00 C ATOM 378 C GLY A 46 -2.810 -0.955 -2.703 1.00 0.00 C ATOM 379 O GLY A 46 -2.128 -0.529 -3.634 1.00 0.00 O ATOM 0 H GLY A 46 -2.355 -3.065 -4.437 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.036 -2.596 -2.028 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.317 -2.937 -2.008 1.00 0.00 H new ATOM 380 N ILE A 47 -3.337 -0.198 -1.752 1.00 0.00 N ATOM 381 CA ILE A 47 -3.137 1.241 -1.742 1.00 0.00 C ATOM 382 C ILE A 47 -2.888 1.707 -0.306 1.00 0.00 C ATOM 383 O ILE A 47 -3.557 1.254 0.622 1.00 0.00 O ATOM 384 CB ILE A 47 -4.309 1.949 -2.424 1.00 0.00 C ATOM 385 CG1 ILE A 47 -4.998 1.024 -3.431 1.00 0.00 C ATOM 386 CG2 ILE A 47 -3.857 3.261 -3.068 1.00 0.00 C ATOM 387 CD1 ILE A 47 -4.110 0.786 -4.653 1.00 0.00 C ATOM 0 H ILE A 47 -3.903 -0.555 -0.982 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.253 1.507 -2.321 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.046 2.201 -1.662 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.231 0.071 -2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.945 1.463 -3.745 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.709 3.744 -3.546 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.448 3.920 -2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.091 3.054 -3.815 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.623 0.126 -5.352 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.899 1.738 -5.140 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.174 0.324 -4.338 1.00 0.00 H new ATOM 388 N SER A 48 -1.925 2.606 -0.168 1.00 0.00 N ATOM 389 CA SER A 48 -1.579 3.138 1.138 1.00 0.00 C ATOM 390 C SER A 48 -1.237 4.625 1.024 1.00 0.00 C ATOM 391 O SER A 48 -1.403 5.224 -0.037 1.00 0.00 O ATOM 392 CB SER A 48 -0.408 2.370 1.754 1.00 0.00 C ATOM 393 OG SER A 48 -0.850 1.301 2.587 1.00 0.00 O ATOM 0 H SER A 48 -1.373 2.980 -0.940 1.00 0.00 H new ATOM 0 HA SER A 48 -2.441 3.019 1.794 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.223 1.973 0.959 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.207 3.054 2.338 1.00 0.00 H new ATOM 0 HG SER A 48 -0.073 0.834 2.960 1.00 0.00 H new ATOM 394 N VAL A 49 -0.765 5.178 2.132 1.00 0.00 N ATOM 395 CA VAL A 49 -0.399 6.583 2.170 1.00 0.00 C ATOM 396 C VAL A 49 0.487 6.843 3.390 1.00 0.00 C ATOM 397 O VAL A 49 0.549 6.020 4.303 1.00 0.00 O ATOM 398 CB VAL A 49 -1.657 7.453 2.148 1.00 0.00 C ATOM 399 CG1 VAL A 49 -1.389 8.821 2.779 1.00 0.00 C ATOM 400 CG2 VAL A 49 -2.196 7.603 0.723 1.00 0.00 C ATOM 0 H VAL A 49 -0.628 4.678 3.010 1.00 0.00 H new ATOM 0 HA VAL A 49 0.180 6.850 1.286 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.420 6.953 2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.300 9.420 2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.074 8.689 3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.602 9.331 2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.090 8.226 0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.438 8.070 0.094 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.444 6.620 0.323 1.00 0.00 H new ATOM 401 N SER A 50 1.151 7.989 3.366 1.00 0.00 N ATOM 402 CA SER A 50 2.029 8.367 4.460 1.00 0.00 C ATOM 403 C SER A 50 1.304 9.323 5.408 1.00 0.00 C ATOM 404 O SER A 50 0.285 9.909 5.045 1.00 0.00 O ATOM 405 CB SER A 50 3.314 9.013 3.936 1.00 0.00 C ATOM 406 OG SER A 50 4.105 9.559 4.988 1.00 0.00 O ATOM 0 H SER A 50 1.099 8.668 2.607 1.00 0.00 H new ATOM 0 HA SER A 50 2.303 7.464 5.005 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.897 8.270 3.392 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.060 9.801 3.227 1.00 0.00 H new ATOM 0 HG SER A 50 4.917 9.960 4.613 1.00 0.00 H new ATOM 407 N LYS A 51 1.857 9.450 6.606 1.00 0.00 N ATOM 408 CA LYS A 51 1.275 10.326 7.609 1.00 0.00 C ATOM 409 C LYS A 51 2.017 11.663 7.606 1.00 0.00 C ATOM 410 O LYS A 51 1.715 12.547 8.407 1.00 0.00 O ATOM 411 CB LYS A 51 1.256 9.636 8.975 1.00 0.00 C ATOM 412 CG LYS A 51 -0.119 9.029 9.264 1.00 0.00 C ATOM 413 CD LYS A 51 -0.013 7.521 9.500 1.00 0.00 C ATOM 414 CE LYS A 51 -0.647 6.741 8.347 1.00 0.00 C ATOM 415 NZ LYS A 51 -1.849 6.013 8.814 1.00 0.00 N ATOM 0 H LYS A 51 2.701 8.961 6.904 1.00 0.00 H new ATOM 0 HA LYS A 51 0.233 10.540 7.370 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.015 8.855 9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.511 10.355 9.753 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.555 9.508 10.140 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.790 9.224 8.427 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.035 7.238 9.603 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.507 7.260 10.436 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.918 7.425 7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.076 6.036 7.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.268 5.489 8.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.581 5.346 9.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.544 6.692 9.185 1.00 0.00 H new ATOM 416 N LYS A 52 2.974 11.770 6.697 1.00 0.00 N ATOM 417 CA LYS A 52 3.763 12.985 6.578 1.00 0.00 C ATOM 418 C LYS A 52 3.280 13.786 5.367 1.00 0.00 C ATOM 419 O LYS A 52 3.595 14.967 5.233 1.00 0.00 O ATOM 420 CB LYS A 52 5.256 12.654 6.540 1.00 0.00 C ATOM 421 CG LYS A 52 6.024 13.469 7.583 1.00 0.00 C ATOM 422 CD LYS A 52 7.402 12.859 7.849 1.00 0.00 C ATOM 423 CE LYS A 52 8.517 13.814 7.417 1.00 0.00 C ATOM 424 NZ LYS A 52 9.786 13.076 7.227 1.00 0.00 N ATOM 0 H LYS A 52 3.222 11.035 6.035 1.00 0.00 H new ATOM 0 HA LYS A 52 3.623 13.617 7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.401 11.590 6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.653 12.861 5.546 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.138 14.496 7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.454 13.508 8.511 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.504 12.631 8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.497 11.916 7.310 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.237 14.313 6.489 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.650 14.591 8.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.532 13.738 6.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.059 12.620 8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.659 12.351 6.493 1.00 0.00 H new ATOM 425 N LEU A 53 2.522 13.109 4.515 1.00 0.00 N ATOM 426 CA LEU A 53 1.992 13.743 3.319 1.00 0.00 C ATOM 427 C LEU A 53 1.429 15.118 3.683 1.00 0.00 C ATOM 428 O LEU A 53 2.076 16.138 3.453 1.00 0.00 O ATOM 429 CB LEU A 53 0.979 12.825 2.631 1.00 0.00 C ATOM 430 CG LEU A 53 1.151 12.650 1.121 1.00 0.00 C ATOM 431 CD1 LEU A 53 1.657 11.246 0.785 1.00 0.00 C ATOM 432 CD2 LEU A 53 -0.145 12.984 0.380 1.00 0.00 C ATOM 0 H LEU A 53 2.263 12.129 4.629 1.00 0.00 H new ATOM 0 HA LEU A 53 2.786 13.907 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.032 11.842 3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.021 13.214 2.820 1.00 0.00 H new ATOM 0 HG LEU A 53 1.909 13.355 0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.770 11.149 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.621 11.081 1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.941 10.506 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.004 12.852 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.940 12.321 0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.424 14.018 0.582 1.00 0.00 H new ATOM 433 N GLY A 54 0.229 15.101 4.244 1.00 0.00 N ATOM 434 CA GLY A 54 -0.429 16.334 4.641 1.00 0.00 C ATOM 435 C GLY A 54 -1.916 16.099 4.913 1.00 0.00 C ATOM 436 O GLY A 54 -2.277 15.464 5.904 1.00 0.00 O ATOM 0 H GLY A 54 -0.305 14.253 4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.049 16.734 5.535 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.313 17.081 3.856 1.00 0.00 H new ATOM 437 N ASN A 55 -2.740 16.623 4.018 1.00 0.00 N ATOM 438 CA ASN A 55 -4.180 16.479 4.150 1.00 0.00 C ATOM 439 C ASN A 55 -4.599 15.102 3.630 1.00 0.00 C ATOM 440 O ASN A 55 -3.753 14.250 3.363 1.00 0.00 O ATOM 441 CB ASN A 55 -4.917 17.538 3.330 1.00 0.00 C ATOM 442 CG ASN A 55 -5.977 18.248 4.175 1.00 0.00 C ATOM 443 OD1 ASN A 55 -5.680 18.958 5.121 1.00 0.00 O ATOM 444 ND2 ASN A 55 -7.227 18.015 3.784 1.00 0.00 N ATOM 0 H ASN A 55 -2.438 17.148 3.198 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.436 16.597 5.203 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.204 18.268 2.947 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.389 17.070 2.466 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.006 18.442 4.285 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.406 17.410 2.983 1.00 0.00 H new ATOM 445 N ALA A 56 -5.906 14.926 3.502 1.00 0.00 N ATOM 446 CA ALA A 56 -6.448 13.668 3.019 1.00 0.00 C ATOM 447 C ALA A 56 -6.959 13.853 1.588 1.00 0.00 C ATOM 448 O ALA A 56 -7.100 12.882 0.846 1.00 0.00 O ATOM 449 CB ALA A 56 -7.543 13.184 3.972 1.00 0.00 C ATOM 0 H ALA A 56 -6.605 15.634 3.725 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.674 12.901 2.996 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.950 12.240 3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.122 13.039 4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.339 13.927 4.020 1.00 0.00 H new ATOM 450 N VAL A 57 -7.221 15.105 1.246 1.00 0.00 N ATOM 451 CA VAL A 57 -7.714 15.430 -0.082 1.00 0.00 C ATOM 452 C VAL A 57 -6.613 15.160 -1.110 1.00 0.00 C ATOM 453 O VAL A 57 -6.897 14.775 -2.243 1.00 0.00 O ATOM 454 CB VAL A 57 -8.220 16.873 -0.114 1.00 0.00 C ATOM 455 CG1 VAL A 57 -7.054 17.863 -0.178 1.00 0.00 C ATOM 456 CG2 VAL A 57 -9.187 17.089 -1.280 1.00 0.00 C ATOM 0 H VAL A 57 -7.101 15.907 1.865 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.563 14.796 -0.340 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.765 17.057 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.442 18.881 -0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.420 17.735 0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.469 17.678 -1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.532 18.123 -1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.677 16.877 -2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.042 16.421 -1.172 1.00 0.00 H new ATOM 457 N LEU A 58 -5.379 15.373 -0.677 1.00 0.00 N ATOM 458 CA LEU A 58 -4.233 15.157 -1.546 1.00 0.00 C ATOM 459 C LEU A 58 -3.887 13.667 -1.565 1.00 0.00 C ATOM 460 O LEU A 58 -3.630 13.099 -2.625 1.00 0.00 O ATOM 461 CB LEU A 58 -3.067 16.054 -1.126 1.00 0.00 C ATOM 462 CG LEU A 58 -2.184 15.521 0.004 1.00 0.00 C ATOM 463 CD1 LEU A 58 -0.789 16.149 -0.047 1.00 0.00 C ATOM 464 CD2 LEU A 58 -2.854 15.723 1.365 1.00 0.00 C ATOM 0 H LEU A 58 -5.147 15.693 0.263 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.472 15.442 -2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.438 16.231 -1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.469 17.020 -0.821 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.059 14.447 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.182 15.753 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.317 15.911 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.873 17.231 0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.206 15.336 2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.029 16.786 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.805 15.191 1.385 1.00 0.00 H new ATOM 465 N ARG A 59 -3.892 13.075 -0.379 1.00 0.00 N ATOM 466 CA ARG A 59 -3.581 11.662 -0.247 1.00 0.00 C ATOM 467 C ARG A 59 -4.651 10.816 -0.942 1.00 0.00 C ATOM 468 O ARG A 59 -4.467 9.615 -1.137 1.00 0.00 O ATOM 469 CB ARG A 59 -3.494 11.252 1.225 1.00 0.00 C ATOM 470 CG ARG A 59 -4.871 10.863 1.768 1.00 0.00 C ATOM 471 CD ARG A 59 -4.819 10.632 3.280 1.00 0.00 C ATOM 472 NE ARG A 59 -6.160 10.261 3.782 1.00 0.00 N ATOM 473 CZ ARG A 59 -6.430 9.969 5.062 1.00 0.00 C ATOM 0 H ARG A 59 -4.107 13.548 0.499 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.613 11.490 -0.718 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.806 10.413 1.333 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.087 12.075 1.812 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.591 11.650 1.541 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.220 9.958 1.270 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.104 9.842 3.511 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.471 11.534 3.782 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.928 10.225 3.112 1.00 0.00 H new ATOM 474 N ASN A 60 -5.744 11.477 -1.297 1.00 0.00 N ATOM 475 CA ASN A 60 -6.842 10.800 -1.966 1.00 0.00 C ATOM 476 C ASN A 60 -6.560 10.744 -3.469 1.00 0.00 C ATOM 477 O ASN A 60 -6.987 9.812 -4.149 1.00 0.00 O ATOM 478 CB ASN A 60 -8.158 11.552 -1.759 1.00 0.00 C ATOM 479 CG ASN A 60 -9.210 10.648 -1.113 1.00 0.00 C ATOM 480 OD1 ASN A 60 -9.452 9.530 -1.538 1.00 0.00 O ATOM 481 ND2 ASN A 60 -9.819 11.192 -0.064 1.00 0.00 N ATOM 0 H ASN A 60 -5.892 12.473 -1.134 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.929 9.798 -1.546 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.987 12.425 -1.129 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.527 11.918 -2.717 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.537 10.668 0.437 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.569 12.133 0.240 1.00 0.00 H new ATOM 482 N LYS A 61 -5.844 11.753 -3.943 1.00 0.00 N ATOM 483 CA LYS A 61 -5.501 11.830 -5.353 1.00 0.00 C ATOM 484 C LYS A 61 -4.382 10.830 -5.656 1.00 0.00 C ATOM 485 O LYS A 61 -4.310 10.290 -6.758 1.00 0.00 O ATOM 486 CB LYS A 61 -5.161 13.269 -5.744 1.00 0.00 C ATOM 487 CG LYS A 61 -5.480 13.526 -7.218 1.00 0.00 C ATOM 488 CD LYS A 61 -6.676 14.469 -7.365 1.00 0.00 C ATOM 489 CE LYS A 61 -6.224 15.931 -7.361 1.00 0.00 C ATOM 490 NZ LYS A 61 -6.493 16.555 -6.047 1.00 0.00 N ATOM 0 H LYS A 61 -5.492 12.524 -3.376 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.356 11.550 -5.969 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.725 13.962 -5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.104 13.460 -5.558 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.609 13.958 -7.712 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.694 12.581 -7.717 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.204 14.250 -8.293 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.380 14.300 -6.550 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.159 15.989 -7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.746 16.481 -8.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.275 17.571 -6.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.495 16.427 -5.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.898 16.106 -5.321 1.00 0.00 H new ATOM 491 N ILE A 62 -3.539 10.615 -4.658 1.00 0.00 N ATOM 492 CA ILE A 62 -2.427 9.690 -4.803 1.00 0.00 C ATOM 493 C ILE A 62 -2.964 8.258 -4.854 1.00 0.00 C ATOM 494 O ILE A 62 -2.333 7.375 -5.434 1.00 0.00 O ATOM 495 CB ILE A 62 -1.391 9.920 -3.701 1.00 0.00 C ATOM 496 CG1 ILE A 62 -0.787 11.321 -3.800 1.00 0.00 C ATOM 497 CG2 ILE A 62 -0.318 8.829 -3.722 1.00 0.00 C ATOM 498 CD1 ILE A 62 -0.130 11.730 -2.480 1.00 0.00 C ATOM 0 H ILE A 62 -3.603 11.065 -3.745 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.903 9.868 -5.742 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.896 9.856 -2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.048 11.347 -4.601 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.565 12.039 -4.061 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.406 9.016 -2.929 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.785 7.857 -3.566 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.190 8.837 -4.686 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.292 12.730 -2.578 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.877 11.727 -1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.664 11.024 -2.235 1.00 0.00 H new ATOM 499 N LYS A 63 -4.124 8.073 -4.241 1.00 0.00 N ATOM 500 CA LYS A 63 -4.753 6.764 -4.210 1.00 0.00 C ATOM 501 C LYS A 63 -5.837 6.697 -5.288 1.00 0.00 C ATOM 502 O LYS A 63 -6.006 5.668 -5.940 1.00 0.00 O ATOM 503 CB LYS A 63 -5.264 6.449 -2.803 1.00 0.00 C ATOM 504 CG LYS A 63 -6.208 5.243 -2.819 1.00 0.00 C ATOM 505 CD LYS A 63 -7.671 5.692 -2.796 1.00 0.00 C ATOM 506 CE LYS A 63 -8.537 4.785 -3.672 1.00 0.00 C ATOM 507 NZ LYS A 63 -9.592 4.137 -2.864 1.00 0.00 N ATOM 0 H LYS A 63 -4.644 8.808 -3.762 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.025 5.986 -4.442 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.421 6.246 -2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.784 7.317 -2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.022 4.643 -3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.005 4.607 -1.958 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.043 5.677 -1.772 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.745 6.721 -3.147 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.991 5.369 -4.473 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.915 4.025 -4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.861 3.234 -3.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.235 3.961 -1.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.424 4.760 -2.815 1.00 0.00 H new ATOM 508 N ARG A 64 -6.542 7.808 -5.442 1.00 0.00 N ATOM 509 CA ARG A 64 -7.604 7.889 -6.429 1.00 0.00 C ATOM 510 C ARG A 64 -7.057 7.578 -7.825 1.00 0.00 C ATOM 511 O ARG A 64 -7.404 6.559 -8.419 1.00 0.00 O ATOM 512 CB ARG A 64 -8.245 9.278 -6.437 1.00 0.00 C ATOM 513 CG ARG A 64 -8.952 9.548 -7.767 1.00 0.00 C ATOM 514 CD ARG A 64 -10.183 10.434 -7.564 1.00 0.00 C ATOM 515 NE ARG A 64 -10.607 11.017 -8.856 1.00 0.00 N ATOM 516 CZ ARG A 64 -11.765 11.663 -9.045 1.00 0.00 C ATOM 0 H ARG A 64 -6.398 8.660 -4.899 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.362 7.154 -6.160 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.960 9.357 -5.618 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.481 10.036 -6.267 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.262 10.031 -8.458 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.250 8.604 -8.223 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.996 9.848 -7.136 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.956 11.229 -6.854 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.978 10.921 -9.653 1.00 0.00 H new ATOM 517 N ALA A 65 -6.213 8.478 -8.307 1.00 0.00 N ATOM 518 CA ALA A 65 -5.614 8.314 -9.621 1.00 0.00 C ATOM 519 C ALA A 65 -5.252 6.842 -9.831 1.00 0.00 C ATOM 520 O ALA A 65 -5.482 6.289 -10.905 1.00 0.00 O ATOM 521 CB ALA A 65 -4.401 9.236 -9.749 1.00 0.00 C ATOM 0 H ALA A 65 -5.930 9.323 -7.811 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.320 8.595 -10.402 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.952 9.112 -10.735 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.716 10.272 -9.621 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.669 8.982 -8.983 1.00 0.00 H new ATOM 522 N ILE A 66 -4.691 6.249 -8.788 1.00 0.00 N ATOM 523 CA ILE A 66 -4.295 4.852 -8.844 1.00 0.00 C ATOM 524 C ILE A 66 -5.524 3.989 -9.136 1.00 0.00 C ATOM 525 O ILE A 66 -5.484 3.120 -10.006 1.00 0.00 O ATOM 526 CB ILE A 66 -3.553 4.453 -7.567 1.00 0.00 C ATOM 527 CG1 ILE A 66 -2.054 4.298 -7.829 1.00 0.00 C ATOM 528 CG2 ILE A 66 -4.160 3.191 -6.952 1.00 0.00 C ATOM 529 CD1 ILE A 66 -1.754 2.970 -8.527 1.00 0.00 C ATOM 0 H ILE A 66 -4.501 6.711 -7.898 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.590 4.689 -9.659 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.671 5.256 -6.839 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.702 5.125 -8.446 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.509 4.349 -6.886 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.614 2.929 -6.046 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.206 3.373 -6.706 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.093 2.370 -7.666 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.681 2.885 -8.702 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.086 2.145 -7.897 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.281 2.933 -9.480 1.00 0.00 H new ATOM 530 N ARG A 67 -6.586 4.259 -8.392 1.00 0.00 N ATOM 531 CA ARG A 67 -7.825 3.517 -8.561 1.00 0.00 C ATOM 532 C ARG A 67 -8.489 3.887 -9.888 1.00 0.00 C ATOM 533 O ARG A 67 -9.506 3.304 -10.261 1.00 0.00 O ATOM 534 CB ARG A 67 -8.797 3.803 -7.414 1.00 0.00 C ATOM 535 CG ARG A 67 -9.657 2.575 -7.106 1.00 0.00 C ATOM 536 CD ARG A 67 -10.855 2.951 -6.231 1.00 0.00 C ATOM 537 NE ARG A 67 -12.082 2.304 -6.747 1.00 0.00 N ATOM 538 CZ ARG A 67 -13.311 2.532 -6.265 1.00 0.00 C ATOM 0 H ARG A 67 -6.615 4.980 -7.671 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.579 2.455 -8.559 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.239 4.094 -6.524 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.438 4.644 -7.677 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.007 2.129 -8.037 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.054 1.822 -6.599 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.676 2.640 -5.202 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.982 4.034 -6.220 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.986 1.643 -7.518 1.00 0.00 H new ATOM 539 N GLU A 68 -7.886 4.854 -10.565 1.00 0.00 N ATOM 540 CA GLU A 68 -8.407 5.308 -11.844 1.00 0.00 C ATOM 541 C GLU A 68 -7.384 5.054 -12.953 1.00 0.00 C ATOM 542 O GLU A 68 -7.652 5.325 -14.122 1.00 0.00 O ATOM 543 CB GLU A 68 -8.794 6.787 -11.783 1.00 0.00 C ATOM 544 CG GLU A 68 -10.281 6.952 -11.468 1.00 0.00 C ATOM 545 CD GLU A 68 -10.530 8.213 -10.637 1.00 0.00 C ATOM 546 OE1 GLU A 68 -9.727 9.159 -10.788 1.00 0.00 O ATOM 547 OE2 GLU A 68 -11.516 8.202 -9.869 1.00 0.00 O ATOM 0 H GLU A 68 -7.043 5.335 -10.252 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.309 4.739 -12.071 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.199 7.291 -11.021 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.565 7.266 -12.735 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.849 7.006 -12.397 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.640 6.078 -10.925 1.00 0.00 H new ATOM 548 N ASN A 69 -6.235 4.535 -12.548 1.00 0.00 N ATOM 549 CA ASN A 69 -5.172 4.241 -13.493 1.00 0.00 C ATOM 550 C ASN A 69 -4.912 2.733 -13.508 1.00 0.00 C ATOM 551 O ASN A 69 -4.757 2.139 -14.574 1.00 0.00 O ATOM 552 CB ASN A 69 -3.870 4.940 -13.093 1.00 0.00 C ATOM 553 CG ASN A 69 -2.691 4.414 -13.914 1.00 0.00 C ATOM 554 OD1 ASN A 69 -1.980 3.507 -13.515 1.00 0.00 O ATOM 555 ND2 ASN A 69 -2.524 5.033 -15.079 1.00 0.00 N ATOM 0 H ASN A 69 -6.017 4.310 -11.577 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.486 4.596 -14.475 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.970 6.015 -13.241 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.679 4.781 -12.032 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.764 4.755 -15.700 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -3.156 5.785 -15.352 1.00 0.00 H new ATOM 556 N PHE A 70 -4.872 2.159 -12.316 1.00 0.00 N ATOM 557 CA PHE A 70 -4.635 0.732 -12.179 1.00 0.00 C ATOM 558 C PHE A 70 -5.895 -0.069 -12.513 1.00 0.00 C ATOM 559 O PHE A 70 -5.896 -1.296 -12.432 1.00 0.00 O ATOM 560 CB PHE A 70 -4.256 0.479 -10.719 1.00 0.00 C ATOM 561 CG PHE A 70 -2.976 -0.341 -10.540 1.00 0.00 C ATOM 562 CD1 PHE A 70 -1.764 0.275 -10.575 1.00 0.00 C ATOM 563 CD2 PHE A 70 -3.051 -1.684 -10.347 1.00 0.00 C ATOM 564 CE1 PHE A 70 -0.577 -0.486 -10.410 1.00 0.00 C ATOM 565 CE2 PHE A 70 -1.863 -2.445 -10.182 1.00 0.00 C ATOM 566 CZ PHE A 70 -0.651 -1.830 -10.217 1.00 0.00 C ATOM 0 H PHE A 70 -5.000 2.656 -11.435 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.847 0.419 -12.864 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.134 1.438 -10.215 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.079 -0.039 -10.225 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.705 1.342 -10.728 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.014 -2.173 -10.319 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.386 0.003 -10.438 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.923 -3.512 -10.029 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.252 -2.408 -10.092 1.00 0.00 H new ATOM 567 N LYS A 71 -6.939 0.659 -12.880 1.00 0.00 N ATOM 568 CA LYS A 71 -8.204 0.032 -13.227 1.00 0.00 C ATOM 569 C LYS A 71 -8.151 -0.444 -14.680 1.00 0.00 C ATOM 570 O LYS A 71 -8.684 -1.503 -15.009 1.00 0.00 O ATOM 571 CB LYS A 71 -9.369 0.979 -12.931 1.00 0.00 C ATOM 572 CG LYS A 71 -9.082 2.385 -13.462 1.00 0.00 C ATOM 573 CD LYS A 71 -10.374 3.085 -13.887 1.00 0.00 C ATOM 574 CE LYS A 71 -11.384 3.117 -12.737 1.00 0.00 C ATOM 575 NZ LYS A 71 -12.763 2.981 -13.254 1.00 0.00 N ATOM 0 H LYS A 71 -6.935 1.677 -12.945 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.375 -0.850 -12.609 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.281 0.593 -13.387 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.544 1.021 -11.856 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.582 2.973 -12.693 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.401 2.325 -14.311 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.152 4.102 -14.209 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.808 2.567 -14.743 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.171 2.310 -12.036 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.287 4.052 -12.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.435 3.005 -12.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.968 3.765 -13.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.856 2.077 -13.760 1.00 0.00 H new ATOM 576 N VAL A 72 -7.505 0.362 -15.510 1.00 0.00 N ATOM 577 CA VAL A 72 -7.376 0.035 -16.920 1.00 0.00 C ATOM 578 C VAL A 72 -6.208 -0.935 -17.110 1.00 0.00 C ATOM 579 O VAL A 72 -6.301 -1.877 -17.896 1.00 0.00 O ATOM 580 CB VAL A 72 -7.226 1.317 -17.743 1.00 0.00 C ATOM 581 CG1 VAL A 72 -8.224 2.383 -17.282 1.00 0.00 C ATOM 582 CG2 VAL A 72 -5.791 1.845 -17.679 1.00 0.00 C ATOM 0 H VAL A 72 -7.066 1.240 -15.233 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.276 -0.464 -17.279 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.448 1.076 -18.783 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.097 3.284 -17.882 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.240 2.007 -17.403 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.046 2.618 -16.233 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.712 2.756 -18.272 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.529 2.062 -16.643 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.109 1.093 -18.076 1.00 0.00 H new ATOM 583 N HIS A 73 -5.137 -0.673 -16.376 1.00 0.00 N ATOM 584 CA HIS A 73 -3.953 -1.512 -16.453 1.00 0.00 C ATOM 585 C HIS A 73 -4.256 -2.885 -15.851 1.00 0.00 C ATOM 586 O HIS A 73 -3.415 -3.782 -15.884 1.00 0.00 O ATOM 587 CB HIS A 73 -2.756 -0.826 -15.792 1.00 0.00 C ATOM 588 CG HIS A 73 -2.157 0.291 -16.614 1.00 0.00 C ATOM 589 ND1 HIS A 73 -1.030 0.121 -17.398 1.00 0.00 N ATOM 590 CD2 HIS A 73 -2.541 1.591 -16.766 1.00 0.00 C ATOM 591 CE1 HIS A 73 -0.755 1.275 -17.991 1.00 0.00 C ATOM 592 NE2 HIS A 73 -1.693 2.184 -17.596 1.00 0.00 N ATOM 0 H HIS A 73 -5.064 0.109 -15.725 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.679 -1.664 -17.497 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -3.067 -0.426 -14.827 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.986 -1.572 -15.595 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -0.501 -0.745 -17.502 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.391 2.058 -16.291 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.066 1.462 -18.667 1.00 0.00 H new ATOM 593 N LYS A 74 -5.461 -3.006 -15.313 1.00 0.00 N ATOM 594 CA LYS A 74 -5.886 -4.255 -14.704 1.00 0.00 C ATOM 595 C LYS A 74 -5.997 -5.333 -15.784 1.00 0.00 C ATOM 596 O LYS A 74 -6.018 -6.525 -15.477 1.00 0.00 O ATOM 597 CB LYS A 74 -7.176 -4.050 -13.906 1.00 0.00 C ATOM 598 CG LYS A 74 -7.751 -5.389 -13.440 1.00 0.00 C ATOM 599 CD LYS A 74 -8.699 -5.973 -14.489 1.00 0.00 C ATOM 600 CE LYS A 74 -10.150 -5.586 -14.194 1.00 0.00 C ATOM 601 NZ LYS A 74 -10.900 -5.391 -15.455 1.00 0.00 N ATOM 0 H LYS A 74 -6.156 -2.260 -15.286 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.143 -4.599 -13.984 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.977 -3.415 -13.042 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.910 -3.529 -14.521 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.939 -6.090 -13.248 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.284 -5.252 -12.499 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.417 -5.614 -15.479 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.605 -7.059 -14.505 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.626 -6.364 -13.597 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.176 -4.670 -13.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.883 -5.129 -15.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.454 -4.633 -16.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.891 -6.274 -16.004 1.00 0.00 H new ATOM 602 N SER A 75 -6.064 -4.877 -17.026 1.00 0.00 N ATOM 603 CA SER A 75 -6.172 -5.788 -18.153 1.00 0.00 C ATOM 604 C SER A 75 -4.782 -6.084 -18.720 1.00 0.00 C ATOM 605 O SER A 75 -4.652 -6.485 -19.876 1.00 0.00 O ATOM 606 CB SER A 75 -7.078 -5.211 -19.243 1.00 0.00 C ATOM 607 OG SER A 75 -7.539 -6.217 -20.140 1.00 0.00 O ATOM 0 H SER A 75 -6.046 -3.889 -17.277 1.00 0.00 H new ATOM 0 HA SER A 75 -6.620 -6.717 -17.801 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.933 -4.718 -18.781 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.534 -4.449 -19.801 1.00 0.00 H new ATOM 0 HG SER A 75 -6.781 -6.762 -20.438 1.00 0.00 H new ATOM 608 N HIS A 76 -3.778 -5.877 -17.881 1.00 0.00 N ATOM 609 CA HIS A 76 -2.403 -6.117 -18.284 1.00 0.00 C ATOM 610 C HIS A 76 -1.548 -6.402 -17.047 1.00 0.00 C ATOM 611 O HIS A 76 -0.350 -6.122 -17.038 1.00 0.00 O ATOM 612 CB HIS A 76 -1.870 -4.951 -19.118 1.00 0.00 C ATOM 613 CG HIS A 76 -2.919 -3.928 -19.484 1.00 0.00 C ATOM 614 ND1 HIS A 76 -2.918 -3.254 -20.693 1.00 0.00 N ATOM 615 CD2 HIS A 76 -4.000 -3.472 -18.789 1.00 0.00 C ATOM 616 CE1 HIS A 76 -3.957 -2.432 -20.714 1.00 0.00 C ATOM 617 NE2 HIS A 76 -4.625 -2.567 -19.533 1.00 0.00 N ATOM 0 H HIS A 76 -3.890 -5.545 -16.923 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.356 -6.997 -18.925 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.072 -4.456 -18.564 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.426 -5.345 -20.032 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -4.297 -3.792 -17.801 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -4.227 -1.771 -21.524 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.467 -2.057 -19.265 1.00 0.00 H new ATOM 618 N ILE A 77 -2.197 -6.955 -16.034 1.00 0.00 N ATOM 619 CA ILE A 77 -1.511 -7.281 -14.795 1.00 0.00 C ATOM 620 C ILE A 77 -1.493 -8.800 -14.611 1.00 0.00 C ATOM 621 O ILE A 77 -2.283 -9.513 -15.229 1.00 0.00 O ATOM 622 CB ILE A 77 -2.138 -6.527 -13.621 1.00 0.00 C ATOM 623 CG1 ILE A 77 -2.283 -5.038 -13.941 1.00 0.00 C ATOM 624 CG2 ILE A 77 -1.347 -6.763 -12.332 1.00 0.00 C ATOM 625 CD1 ILE A 77 -1.810 -4.176 -12.767 1.00 0.00 C ATOM 0 H ILE A 77 -3.190 -7.186 -16.045 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.473 -6.952 -14.837 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.141 -6.920 -13.459 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.703 -4.796 -14.832 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.325 -4.811 -14.167 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.814 -6.216 -11.513 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.340 -7.828 -12.099 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.323 -6.414 -12.464 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.924 -3.122 -13.021 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.408 -4.403 -11.884 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.761 -4.388 -12.559 1.00 0.00 H new ATOM 626 N LEU A 78 -0.584 -9.250 -13.759 1.00 0.00 N ATOM 627 CA LEU A 78 -0.453 -10.672 -13.486 1.00 0.00 C ATOM 628 C LEU A 78 -0.460 -10.898 -11.972 1.00 0.00 C ATOM 629 O LEU A 78 -0.446 -9.943 -11.198 1.00 0.00 O ATOM 630 CB LEU A 78 0.782 -11.241 -14.188 1.00 0.00 C ATOM 631 CG LEU A 78 1.888 -10.236 -14.517 1.00 0.00 C ATOM 632 CD1 LEU A 78 1.416 -9.221 -15.558 1.00 0.00 C ATOM 633 CD2 LEU A 78 2.406 -9.558 -13.247 1.00 0.00 C ATOM 0 H LEU A 78 0.069 -8.656 -13.248 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.303 -11.219 -13.895 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.205 -12.024 -13.559 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.462 -11.716 -15.115 1.00 0.00 H new ATOM 0 HG LEU A 78 2.724 -10.780 -14.956 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.222 -8.519 -15.773 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.135 -9.742 -16.473 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.554 -8.677 -15.171 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.191 -8.848 -13.508 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.588 -9.030 -12.757 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.808 -10.312 -12.570 1.00 0.00 H new ATOM 634 N ALA A 79 -0.480 -12.169 -11.598 1.00 0.00 N ATOM 635 CA ALA A 79 -0.487 -12.534 -10.190 1.00 0.00 C ATOM 636 C ALA A 79 0.809 -12.053 -9.536 1.00 0.00 C ATOM 637 O ALA A 79 1.900 -12.421 -9.968 1.00 0.00 O ATOM 638 CB ALA A 79 -0.683 -14.045 -10.056 1.00 0.00 C ATOM 0 H ALA A 79 -0.492 -12.958 -12.244 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.315 -12.051 -9.672 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.688 -14.319 -9.001 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.632 -14.330 -10.510 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.131 -14.564 -10.562 1.00 0.00 H new ATOM 639 N LYS A 80 0.646 -11.237 -8.505 1.00 0.00 N ATOM 640 CA LYS A 80 1.790 -10.702 -7.786 1.00 0.00 C ATOM 641 C LYS A 80 1.332 -9.546 -6.895 1.00 0.00 C ATOM 642 O LYS A 80 0.991 -8.473 -7.389 1.00 0.00 O ATOM 643 CB LYS A 80 2.906 -10.320 -8.762 1.00 0.00 C ATOM 644 CG LYS A 80 4.089 -11.282 -8.645 1.00 0.00 C ATOM 645 CD LYS A 80 4.704 -11.566 -10.016 1.00 0.00 C ATOM 646 CE LYS A 80 5.965 -12.424 -9.886 1.00 0.00 C ATOM 647 NZ LYS A 80 6.333 -13.005 -11.196 1.00 0.00 N ATOM 0 H LYS A 80 -0.261 -10.933 -8.150 1.00 0.00 H new ATOM 0 HA LYS A 80 2.216 -11.461 -7.131 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.522 -10.332 -9.782 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.239 -9.302 -8.559 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.845 -10.856 -7.985 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.759 -12.216 -8.190 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.976 -12.077 -10.646 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.949 -10.626 -10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.787 -11.817 -9.507 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.797 -13.221 -9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.190 -13.584 -11.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.554 -13.600 -11.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.514 -12.240 -11.877 1.00 0.00 H new ATOM 648 N ASP A 81 1.339 -9.805 -5.596 1.00 0.00 N ATOM 649 CA ASP A 81 0.928 -8.799 -4.630 1.00 0.00 C ATOM 650 C ASP A 81 1.452 -7.430 -5.071 1.00 0.00 C ATOM 651 O ASP A 81 2.643 -7.273 -5.334 1.00 0.00 O ATOM 652 CB ASP A 81 1.501 -9.100 -3.244 1.00 0.00 C ATOM 653 CG ASP A 81 2.937 -9.627 -3.238 1.00 0.00 C ATOM 654 OD1 ASP A 81 3.733 -9.115 -4.055 1.00 0.00 O ATOM 655 OD2 ASP A 81 3.207 -10.530 -2.417 1.00 0.00 O ATOM 0 H ASP A 81 1.623 -10.696 -5.189 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.161 -8.805 -4.579 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.462 -8.190 -2.646 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.859 -9.832 -2.753 1.00 0.00 H new ATOM 656 N ILE A 82 0.536 -6.476 -5.138 1.00 0.00 N ATOM 657 CA ILE A 82 0.890 -5.126 -5.543 1.00 0.00 C ATOM 658 C ILE A 82 0.264 -4.125 -4.570 1.00 0.00 C ATOM 659 O ILE A 82 -0.885 -4.287 -4.161 1.00 0.00 O ATOM 660 CB ILE A 82 0.505 -4.886 -7.005 1.00 0.00 C ATOM 661 CG1 ILE A 82 0.652 -3.409 -7.375 1.00 0.00 C ATOM 662 CG2 ILE A 82 -0.902 -5.412 -7.294 1.00 0.00 C ATOM 663 CD1 ILE A 82 -0.652 -2.649 -7.130 1.00 0.00 C ATOM 0 H ILE A 82 -0.451 -6.611 -4.919 1.00 0.00 H new ATOM 0 HA ILE A 82 1.970 -4.985 -5.495 1.00 0.00 H new ATOM 0 HB ILE A 82 1.194 -5.446 -7.637 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.454 -2.961 -6.787 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.937 -3.320 -8.423 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.151 -5.229 -8.339 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.938 -6.483 -7.094 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.621 -4.899 -6.655 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.519 -1.602 -7.401 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.446 -3.083 -7.737 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.922 -2.719 -6.076 1.00 0.00 H new ATOM 664 N ILE A 83 1.047 -3.113 -4.227 1.00 0.00 N ATOM 665 CA ILE A 83 0.583 -2.087 -3.309 1.00 0.00 C ATOM 666 C ILE A 83 1.324 -0.779 -3.597 1.00 0.00 C ATOM 667 O ILE A 83 2.541 -0.703 -3.439 1.00 0.00 O ATOM 668 CB ILE A 83 0.716 -2.562 -1.861 1.00 0.00 C ATOM 669 CG1 ILE A 83 0.525 -4.077 -1.762 1.00 0.00 C ATOM 670 CG2 ILE A 83 -0.244 -1.802 -0.944 1.00 0.00 C ATOM 671 CD1 ILE A 83 0.798 -4.572 -0.341 1.00 0.00 C ATOM 0 H ILE A 83 1.999 -2.982 -4.568 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.479 -1.894 -3.460 1.00 0.00 H new ATOM 0 HB ILE A 83 1.728 -2.342 -1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.492 -4.339 -2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.195 -4.578 -2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.129 -2.159 0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.018 -0.736 -0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.270 -1.968 -1.273 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.655 -5.652 -0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.824 -4.330 -0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.110 -4.087 0.352 1.00 0.00 H new ATOM 672 N VAL A 84 0.558 0.218 -4.016 1.00 0.00 N ATOM 673 CA VAL A 84 1.126 1.519 -4.328 1.00 0.00 C ATOM 674 C VAL A 84 0.948 2.450 -3.127 1.00 0.00 C ATOM 675 O VAL A 84 -0.174 2.685 -2.681 1.00 0.00 O ATOM 676 CB VAL A 84 0.500 2.069 -5.610 1.00 0.00 C ATOM 677 CG1 VAL A 84 0.452 0.998 -6.701 1.00 0.00 C ATOM 678 CG2 VAL A 84 -0.894 2.640 -5.339 1.00 0.00 C ATOM 0 H VAL A 84 -0.451 0.151 -4.147 1.00 0.00 H new ATOM 0 HA VAL A 84 2.196 1.434 -4.516 1.00 0.00 H new ATOM 0 HB VAL A 84 1.131 2.883 -5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.002 1.416 -7.602 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.464 0.660 -6.924 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.145 0.154 -6.356 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.317 3.024 -6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.539 1.854 -4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.821 3.448 -4.612 1.00 0.00 H new ATOM 679 N ILE A 85 2.071 2.954 -2.637 1.00 0.00 N ATOM 680 CA ILE A 85 2.052 3.854 -1.498 1.00 0.00 C ATOM 681 C ILE A 85 2.568 5.228 -1.929 1.00 0.00 C ATOM 682 O ILE A 85 3.267 5.345 -2.935 1.00 0.00 O ATOM 683 CB ILE A 85 2.826 3.248 -0.324 1.00 0.00 C ATOM 684 CG1 ILE A 85 3.045 1.748 -0.529 1.00 0.00 C ATOM 685 CG2 ILE A 85 2.130 3.551 1.005 1.00 0.00 C ATOM 686 CD1 ILE A 85 1.733 1.045 -0.882 1.00 0.00 C ATOM 0 H ILE A 85 3.000 2.756 -3.009 1.00 0.00 H new ATOM 0 HA ILE A 85 1.032 3.994 -1.141 1.00 0.00 H new ATOM 0 HB ILE A 85 3.811 3.714 -0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.773 1.589 -1.325 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.463 1.311 0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.700 3.110 1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.069 4.630 1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.125 3.129 0.994 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.917 -0.020 -1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.016 1.186 -0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.330 1.468 -1.802 1.00 0.00 H new ATOM 687 N ALA A 86 2.204 6.234 -1.147 1.00 0.00 N ATOM 688 CA ALA A 86 2.621 7.596 -1.437 1.00 0.00 C ATOM 689 C ALA A 86 3.882 7.920 -0.632 1.00 0.00 C ATOM 690 O ALA A 86 3.806 8.191 0.564 1.00 0.00 O ATOM 691 CB ALA A 86 1.471 8.558 -1.131 1.00 0.00 C ATOM 0 H ALA A 86 1.625 6.133 -0.313 1.00 0.00 H new ATOM 0 HA ALA A 86 2.866 7.706 -2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.783 9.579 -1.348 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.609 8.303 -1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.200 8.478 -0.078 1.00 0.00 H new ATOM 692 N ARG A 87 5.012 7.881 -1.324 1.00 0.00 N ATOM 693 CA ARG A 87 6.287 8.168 -0.689 1.00 0.00 C ATOM 694 C ARG A 87 6.117 9.251 0.378 1.00 0.00 C ATOM 695 O ARG A 87 6.207 8.970 1.572 1.00 0.00 O ATOM 696 CB ARG A 87 7.321 8.631 -1.717 1.00 0.00 C ATOM 697 CG ARG A 87 8.080 7.441 -2.308 1.00 0.00 C ATOM 698 CD ARG A 87 9.371 7.174 -1.533 1.00 0.00 C ATOM 699 NE ARG A 87 10.530 7.710 -2.282 1.00 0.00 N ATOM 700 CZ ARG A 87 11.795 7.663 -1.843 1.00 0.00 C ATOM 0 H ARG A 87 5.071 7.655 -2.317 1.00 0.00 H new ATOM 0 HA ARG A 87 6.641 7.248 -0.223 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.824 9.182 -2.515 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.024 9.318 -1.246 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.447 6.554 -2.284 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.314 7.638 -3.354 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.317 7.639 -0.549 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.494 6.103 -1.373 1.00 0.00 H new ATOM 0 HE ARG A 87 10.355 8.142 -3.189 1.00 0.00 H new ATOM 701 N GLN A 88 5.875 10.466 -0.091 1.00 0.00 N ATOM 702 CA GLN A 88 5.693 11.593 0.808 1.00 0.00 C ATOM 703 C GLN A 88 5.705 12.906 0.023 1.00 0.00 C ATOM 704 O GLN A 88 4.882 13.787 0.269 1.00 0.00 O ATOM 705 CB GLN A 88 6.761 11.599 1.903 1.00 0.00 C ATOM 706 CG GLN A 88 7.730 12.768 1.718 1.00 0.00 C ATOM 707 CD GLN A 88 8.219 13.295 3.068 1.00 0.00 C ATOM 708 OE1 GLN A 88 7.510 13.284 4.061 1.00 0.00 O ATOM 709 NE2 GLN A 88 9.465 13.757 3.050 1.00 0.00 N ATOM 0 H GLN A 88 5.801 10.695 -1.082 1.00 0.00 H new ATOM 0 HA GLN A 88 4.722 11.492 1.294 1.00 0.00 H new ATOM 0 HB2 GLN A 88 6.284 11.669 2.881 1.00 0.00 H new ATOM 0 HB3 GLN A 88 7.312 10.659 1.884 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.582 12.447 1.119 1.00 0.00 H new ATOM 0 HG3 GLN A 88 7.237 13.570 1.168 1.00 0.00 H new ATOM 0 HE21 GLN A 88 10.004 13.737 2.184 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.882 14.132 3.902 1.00 0.00 H new ATOM 710 N PRO A 89 6.670 12.998 -0.929 1.00 0.00 N ATOM 711 CA PRO A 89 6.800 14.188 -1.751 1.00 0.00 C ATOM 712 C PRO A 89 5.700 14.244 -2.814 1.00 0.00 C ATOM 713 O PRO A 89 5.675 15.154 -3.641 1.00 0.00 O ATOM 714 CB PRO A 89 8.196 14.105 -2.347 1.00 0.00 C ATOM 715 CG PRO A 89 8.621 12.652 -2.211 1.00 0.00 C ATOM 716 CD PRO A 89 7.662 11.973 -1.247 1.00 0.00 C ATOM 0 HA PRO A 89 6.679 15.108 -1.179 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.194 14.415 -3.392 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.886 14.765 -1.820 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.601 12.156 -3.182 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.644 12.587 -1.841 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.196 11.098 -1.701 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.178 11.630 -0.351 1.00 0.00 H new ATOM 717 N ALA A 90 4.815 13.258 -2.754 1.00 0.00 N ATOM 718 CA ALA A 90 3.715 13.184 -3.701 1.00 0.00 C ATOM 719 C ALA A 90 2.666 14.237 -3.340 1.00 0.00 C ATOM 720 O ALA A 90 1.911 14.687 -4.202 1.00 0.00 O ATOM 721 CB ALA A 90 3.140 11.767 -3.704 1.00 0.00 C ATOM 0 H ALA A 90 4.838 12.506 -2.066 1.00 0.00 H new ATOM 0 HA ALA A 90 4.063 13.398 -4.712 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.315 11.711 -4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.917 11.060 -3.994 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.778 11.519 -2.706 1.00 0.00 H new ATOM 722 N LYS A 91 2.652 14.601 -2.066 1.00 0.00 N ATOM 723 CA LYS A 91 1.708 15.593 -1.581 1.00 0.00 C ATOM 724 C LYS A 91 1.583 16.719 -2.610 1.00 0.00 C ATOM 725 O LYS A 91 0.493 17.241 -2.835 1.00 0.00 O ATOM 726 CB LYS A 91 2.108 16.078 -0.186 1.00 0.00 C ATOM 727 CG LYS A 91 3.571 16.528 -0.162 1.00 0.00 C ATOM 728 CD LYS A 91 4.116 16.542 1.268 1.00 0.00 C ATOM 729 CE LYS A 91 5.454 17.279 1.336 1.00 0.00 C ATOM 730 NZ LYS A 91 6.209 16.873 2.544 1.00 0.00 N ATOM 0 H LYS A 91 3.280 14.226 -1.355 1.00 0.00 H new ATOM 0 HA LYS A 91 0.718 15.152 -1.468 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.464 16.905 0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.958 15.278 0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.172 15.858 -0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.656 17.524 -0.598 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.397 17.024 1.931 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.241 15.519 1.623 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.041 17.063 0.443 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.283 18.355 1.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.115 17.383 2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.654 17.102 3.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.389 15.849 2.513 1.00 0.00 H new ATOM 731 N ASP A 92 2.716 17.058 -3.208 1.00 0.00 N ATOM 732 CA ASP A 92 2.747 18.112 -4.208 1.00 0.00 C ATOM 733 C ASP A 92 2.892 17.487 -5.597 1.00 0.00 C ATOM 734 O ASP A 92 3.823 17.810 -6.333 1.00 0.00 O ATOM 735 CB ASP A 92 3.936 19.048 -3.985 1.00 0.00 C ATOM 736 CG ASP A 92 3.837 19.934 -2.741 1.00 0.00 C ATOM 737 OD1 ASP A 92 3.001 20.862 -2.771 1.00 0.00 O ATOM 738 OD2 ASP A 92 4.601 19.663 -1.789 1.00 0.00 O ATOM 0 H ASP A 92 3.619 16.622 -3.019 1.00 0.00 H new ATOM 0 HA ASP A 92 1.820 18.680 -4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.843 18.448 -3.914 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.045 19.688 -4.861 1.00 0.00 H new ATOM 739 N MET A 93 1.959 16.602 -5.914 1.00 0.00 N ATOM 740 CA MET A 93 1.971 15.928 -7.201 1.00 0.00 C ATOM 741 C MET A 93 0.573 15.904 -7.821 1.00 0.00 C ATOM 742 O MET A 93 -0.423 15.766 -7.110 1.00 0.00 O ATOM 743 CB MET A 93 2.476 14.495 -7.023 1.00 0.00 C ATOM 744 CG MET A 93 2.430 13.729 -8.347 1.00 0.00 C ATOM 745 SD MET A 93 2.295 11.977 -8.033 1.00 0.00 S ATOM 746 CE MET A 93 1.101 11.990 -6.705 1.00 0.00 C ATOM 0 H MET A 93 1.189 16.336 -5.301 1.00 0.00 H new ATOM 0 HA MET A 93 2.635 16.476 -7.870 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.497 14.510 -6.643 1.00 0.00 H new ATOM 0 HB3 MET A 93 1.867 13.981 -6.280 1.00 0.00 H new ATOM 0 HG2 MET A 93 1.582 14.067 -8.943 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.329 13.935 -8.927 1.00 0.00 H new ATOM 0 HE1 MET A 93 0.675 10.993 -6.589 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.591 12.286 -5.778 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.306 12.699 -6.937 1.00 0.00 H new ATOM 747 N THR A 94 0.540 16.040 -9.138 1.00 0.00 N ATOM 748 CA THR A 94 -0.720 16.035 -9.862 1.00 0.00 C ATOM 749 C THR A 94 -0.968 14.663 -10.490 1.00 0.00 C ATOM 750 O THR A 94 -0.025 13.971 -10.871 1.00 0.00 O ATOM 751 CB THR A 94 -0.682 17.174 -10.882 1.00 0.00 C ATOM 752 OG1 THR A 94 0.654 17.157 -11.375 1.00 0.00 O ATOM 753 CG2 THR A 94 -0.821 18.550 -10.229 1.00 0.00 C ATOM 0 H THR A 94 1.367 16.155 -9.724 1.00 0.00 H new ATOM 0 HA THR A 94 -1.563 16.207 -9.193 1.00 0.00 H new ATOM 0 HB THR A 94 -1.482 17.035 -11.609 1.00 0.00 H new ATOM 0 HG1 THR A 94 0.765 17.865 -12.044 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.788 19.322 -10.997 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.772 18.607 -9.698 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.003 18.703 -9.525 1.00 0.00 H new ATOM 754 N THR A 95 -2.242 14.310 -10.581 1.00 0.00 N ATOM 755 CA THR A 95 -2.627 13.034 -11.156 1.00 0.00 C ATOM 756 C THR A 95 -1.917 12.818 -12.496 1.00 0.00 C ATOM 757 O THR A 95 -1.742 11.681 -12.933 1.00 0.00 O ATOM 758 CB THR A 95 -4.152 13.004 -11.265 1.00 0.00 C ATOM 759 OG1 THR A 95 -4.584 12.576 -9.977 1.00 0.00 O ATOM 760 CG2 THR A 95 -4.651 11.908 -12.208 1.00 0.00 C ATOM 0 H THR A 95 -3.021 14.887 -10.265 1.00 0.00 H new ATOM 0 HA THR A 95 -2.317 12.204 -10.521 1.00 0.00 H new ATOM 0 HB THR A 95 -4.509 13.973 -11.614 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.563 12.530 -9.959 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.740 11.931 -12.249 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.247 12.075 -13.206 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.322 10.935 -11.842 1.00 0.00 H new ATOM 761 N LEU A 96 -1.530 13.926 -13.108 1.00 0.00 N ATOM 762 CA LEU A 96 -0.844 13.872 -14.388 1.00 0.00 C ATOM 763 C LEU A 96 0.504 13.171 -14.211 1.00 0.00 C ATOM 764 O LEU A 96 0.919 12.389 -15.065 1.00 0.00 O ATOM 765 CB LEU A 96 -0.733 15.272 -14.996 1.00 0.00 C ATOM 766 CG LEU A 96 -0.322 15.333 -16.469 1.00 0.00 C ATOM 767 CD1 LEU A 96 1.196 15.455 -16.609 1.00 0.00 C ATOM 768 CD2 LEU A 96 -0.875 14.134 -17.243 1.00 0.00 C ATOM 0 H LEU A 96 -1.678 14.867 -12.742 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.419 13.283 -15.103 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.696 15.771 -14.887 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.010 15.843 -14.414 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.759 16.229 -16.909 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.462 15.496 -17.665 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.535 16.365 -16.113 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.675 14.591 -16.148 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.568 14.202 -18.287 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.488 13.212 -16.810 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.963 14.133 -17.184 1.00 0.00 H new ATOM 769 N GLN A 97 1.151 13.475 -13.095 1.00 0.00 N ATOM 770 CA GLN A 97 2.443 12.884 -12.795 1.00 0.00 C ATOM 771 C GLN A 97 2.265 11.466 -12.247 1.00 0.00 C ATOM 772 O GLN A 97 3.214 10.684 -12.218 1.00 0.00 O ATOM 773 CB GLN A 97 3.231 13.755 -11.814 1.00 0.00 C ATOM 774 CG GLN A 97 3.048 15.241 -12.131 1.00 0.00 C ATOM 775 CD GLN A 97 4.004 16.100 -11.303 1.00 0.00 C ATOM 776 OE1 GLN A 97 4.892 15.610 -10.625 1.00 0.00 O ATOM 777 NE2 GLN A 97 3.775 17.407 -11.395 1.00 0.00 N ATOM 0 H GLN A 97 0.804 14.123 -12.388 1.00 0.00 H new ATOM 0 HA GLN A 97 3.016 12.826 -13.720 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.899 13.553 -10.796 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.289 13.497 -11.862 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.224 15.414 -13.193 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.019 15.536 -11.927 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.014 17.752 -11.981 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.360 18.065 -10.880 1.00 0.00 H new ATOM 778 N ILE A 98 1.042 11.179 -11.826 1.00 0.00 N ATOM 779 CA ILE A 98 0.726 9.869 -11.281 1.00 0.00 C ATOM 780 C ILE A 98 0.696 8.844 -12.415 1.00 0.00 C ATOM 781 O ILE A 98 1.506 7.919 -12.442 1.00 0.00 O ATOM 782 CB ILE A 98 -0.568 9.926 -10.467 1.00 0.00 C ATOM 783 CG1 ILE A 98 -0.409 10.832 -9.244 1.00 0.00 C ATOM 784 CG2 ILE A 98 -1.036 8.521 -10.083 1.00 0.00 C ATOM 785 CD1 ILE A 98 -1.743 11.011 -8.517 1.00 0.00 C ATOM 0 H ILE A 98 0.258 11.831 -11.851 1.00 0.00 H new ATOM 0 HA ILE A 98 1.500 9.549 -10.583 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.345 10.365 -11.092 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.326 10.403 -8.563 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.027 11.804 -9.555 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.958 8.590 -9.505 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.217 7.938 -10.986 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.268 8.033 -9.484 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.602 11.659 -7.652 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.469 11.462 -9.194 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.110 10.039 -8.186 1.00 0.00 H new ATOM 786 N GLN A 99 -0.247 9.042 -13.324 1.00 0.00 N ATOM 787 CA GLN A 99 -0.394 8.146 -14.458 1.00 0.00 C ATOM 788 C GLN A 99 0.899 8.109 -15.277 1.00 0.00 C ATOM 789 O GLN A 99 1.094 7.212 -16.095 1.00 0.00 O ATOM 790 CB GLN A 99 -1.583 8.554 -15.330 1.00 0.00 C ATOM 791 CG GLN A 99 -2.878 8.574 -14.515 1.00 0.00 C ATOM 792 CD GLN A 99 -3.655 9.871 -14.753 1.00 0.00 C ATOM 793 OE1 GLN A 99 -3.100 10.957 -14.803 1.00 0.00 O ATOM 794 NE2 GLN A 99 -4.966 9.699 -14.895 1.00 0.00 N ATOM 0 H GLN A 99 -0.917 9.810 -13.298 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.591 7.143 -14.079 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.403 9.540 -15.758 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.684 7.858 -16.163 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.497 7.719 -14.788 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.646 8.474 -13.455 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.366 8.762 -14.842 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.571 10.504 -15.057 1.00 0.00 H new ATOM 795 N ASN A 100 1.748 9.096 -15.027 1.00 0.00 N ATOM 796 CA ASN A 100 3.015 9.187 -15.731 1.00 0.00 C ATOM 797 C ASN A 100 4.059 8.336 -15.006 1.00 0.00 C ATOM 798 O ASN A 100 4.915 7.723 -15.641 1.00 0.00 O ATOM 799 CB ASN A 100 3.523 10.630 -15.765 1.00 0.00 C ATOM 800 CG ASN A 100 3.282 11.265 -17.135 1.00 0.00 C ATOM 801 OD1 ASN A 100 3.245 10.600 -18.158 1.00 0.00 O ATOM 802 ND2 ASN A 100 3.121 12.584 -17.101 1.00 0.00 N ATOM 0 H ASN A 100 1.583 9.838 -14.347 1.00 0.00 H new ATOM 0 HA ASN A 100 2.860 8.834 -16.751 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.019 11.215 -14.996 1.00 0.00 H new ATOM 0 HB3 ASN A 100 4.588 10.650 -15.534 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.955 13.100 -17.965 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.163 13.080 -16.211 1.00 0.00 H new ATOM 803 N SER A 101 3.953 8.325 -13.686 1.00 0.00 N ATOM 804 CA SER A 101 4.877 7.559 -12.867 1.00 0.00 C ATOM 805 C SER A 101 4.459 6.087 -12.843 1.00 0.00 C ATOM 806 O SER A 101 5.307 5.198 -12.769 1.00 0.00 O ATOM 807 CB SER A 101 4.942 8.114 -11.442 1.00 0.00 C ATOM 808 OG SER A 101 5.997 9.059 -11.286 1.00 0.00 O ATOM 0 H SER A 101 3.241 8.835 -13.163 1.00 0.00 H new ATOM 0 HA SER A 101 5.871 7.642 -13.306 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.992 8.587 -11.193 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.083 7.293 -10.739 1.00 0.00 H new ATOM 0 HG SER A 101 6.822 8.694 -11.669 1.00 0.00 H new ATOM 809 N LEU A 102 3.153 5.874 -12.909 1.00 0.00 N ATOM 810 CA LEU A 102 2.612 4.525 -12.897 1.00 0.00 C ATOM 811 C LEU A 102 3.282 3.702 -13.999 1.00 0.00 C ATOM 812 O LEU A 102 3.427 2.488 -13.871 1.00 0.00 O ATOM 813 CB LEU A 102 1.087 4.559 -12.996 1.00 0.00 C ATOM 814 CG LEU A 102 0.329 4.602 -11.667 1.00 0.00 C ATOM 815 CD1 LEU A 102 -0.725 5.711 -11.672 1.00 0.00 C ATOM 816 CD2 LEU A 102 -0.279 3.236 -11.339 1.00 0.00 C ATOM 0 H LEU A 102 2.453 6.613 -12.971 1.00 0.00 H new ATOM 0 HA LEU A 102 2.836 4.033 -11.950 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.800 5.431 -13.583 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.759 3.680 -13.550 1.00 0.00 H new ATOM 0 HG LEU A 102 1.040 4.838 -10.876 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.249 5.719 -10.716 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.239 6.674 -11.828 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.439 5.531 -12.475 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.812 3.293 -10.390 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.973 2.948 -12.128 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.515 2.493 -11.265 1.00 0.00 H new ATOM 817 N GLU A 103 3.674 4.398 -15.057 1.00 0.00 N ATOM 818 CA GLU A 103 4.326 3.746 -16.180 1.00 0.00 C ATOM 819 C GLU A 103 5.771 3.392 -15.824 1.00 0.00 C ATOM 820 O GLU A 103 6.500 2.841 -16.647 1.00 0.00 O ATOM 821 CB GLU A 103 4.270 4.624 -17.432 1.00 0.00 C ATOM 822 CG GLU A 103 3.245 4.087 -18.433 1.00 0.00 C ATOM 823 CD GLU A 103 3.935 3.568 -19.698 1.00 0.00 C ATOM 824 OE1 GLU A 103 4.809 4.300 -20.208 1.00 0.00 O ATOM 825 OE2 GLU A 103 3.571 2.451 -20.123 1.00 0.00 O ATOM 0 H GLU A 103 3.553 5.406 -15.160 1.00 0.00 H new ATOM 0 HA GLU A 103 3.790 2.823 -16.399 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.011 5.645 -17.153 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.254 4.661 -17.899 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.668 3.284 -17.973 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.540 4.876 -18.696 1.00 0.00 H new ATOM 826 N HIS A 104 6.142 3.722 -14.596 1.00 0.00 N ATOM 827 CA HIS A 104 7.487 3.446 -14.121 1.00 0.00 C ATOM 828 C HIS A 104 7.417 2.737 -12.766 1.00 0.00 C ATOM 829 O HIS A 104 7.677 1.539 -12.675 1.00 0.00 O ATOM 830 CB HIS A 104 8.322 4.728 -14.076 1.00 0.00 C ATOM 831 CG HIS A 104 9.628 4.584 -13.333 1.00 0.00 C ATOM 832 ND1 HIS A 104 10.754 5.326 -13.645 1.00 0.00 N ATOM 833 CD2 HIS A 104 9.976 3.778 -12.289 1.00 0.00 C ATOM 834 CE1 HIS A 104 11.729 4.974 -12.821 1.00 0.00 C ATOM 835 NE2 HIS A 104 11.245 4.014 -11.981 1.00 0.00 N ATOM 0 H HIS A 104 5.534 4.178 -13.915 1.00 0.00 H new ATOM 0 HA HIS A 104 7.992 2.777 -14.818 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.530 5.050 -15.096 1.00 0.00 H new ATOM 0 HB3 HIS A 104 7.734 5.516 -13.607 1.00 0.00 H new ATOM 0 HD1 HIS A 104 10.821 6.025 -14.384 1.00 0.00 H new ATOM 0 HD2 HIS A 104 9.328 3.068 -11.796 1.00 0.00 H new ATOM 0 HE1 HIS A 104 12.731 5.376 -12.815 1.00 0.00 H new ATOM 836 N VAL A 105 7.065 3.508 -11.748 1.00 0.00 N ATOM 837 CA VAL A 105 6.957 2.969 -10.403 1.00 0.00 C ATOM 838 C VAL A 105 6.327 1.576 -10.465 1.00 0.00 C ATOM 839 O VAL A 105 6.861 0.624 -9.899 1.00 0.00 O ATOM 840 CB VAL A 105 6.178 3.939 -9.511 1.00 0.00 C ATOM 841 CG1 VAL A 105 4.670 3.708 -9.638 1.00 0.00 C ATOM 842 CG2 VAL A 105 6.629 3.827 -8.055 1.00 0.00 C ATOM 0 H VAL A 105 6.851 4.502 -11.827 1.00 0.00 H new ATOM 0 HA VAL A 105 7.945 2.859 -9.955 1.00 0.00 H new ATOM 0 HB VAL A 105 6.392 4.953 -9.850 1.00 0.00 H new ATOM 0 HG11 VAL A 105 4.139 4.409 -8.995 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.364 3.862 -10.673 1.00 0.00 H new ATOM 0 HG13 VAL A 105 4.432 2.688 -9.337 1.00 0.00 H new ATOM 0 HG21 VAL A 105 6.060 4.527 -7.443 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.459 2.811 -7.698 1.00 0.00 H new ATOM 0 HG23 VAL A 105 7.691 4.063 -7.984 1.00 0.00 H new ATOM 843 N LEU A 106 5.200 1.502 -11.158 1.00 0.00 N ATOM 844 CA LEU A 106 4.492 0.241 -11.302 1.00 0.00 C ATOM 845 C LEU A 106 5.264 -0.666 -12.262 1.00 0.00 C ATOM 846 O LEU A 106 5.374 -1.869 -12.031 1.00 0.00 O ATOM 847 CB LEU A 106 3.041 0.486 -11.720 1.00 0.00 C ATOM 848 CG LEU A 106 2.624 -0.103 -13.070 1.00 0.00 C ATOM 849 CD1 LEU A 106 2.425 -1.617 -12.968 1.00 0.00 C ATOM 850 CD2 LEU A 106 1.380 0.603 -13.616 1.00 0.00 C ATOM 0 H LEU A 106 4.760 2.294 -11.626 1.00 0.00 H new ATOM 0 HA LEU A 106 4.440 -0.278 -10.345 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.388 0.076 -10.950 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.868 1.562 -11.746 1.00 0.00 H new ATOM 0 HG LEU A 106 3.431 0.070 -13.782 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.129 -2.011 -13.940 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.358 -2.086 -12.655 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.646 -1.833 -12.236 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.105 0.165 -14.576 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.556 0.483 -12.913 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.592 1.664 -13.749 1.00 0.00 H new ATOM 851 N LYS A 107 5.779 -0.054 -13.319 1.00 0.00 N ATOM 852 CA LYS A 107 6.537 -0.792 -14.314 1.00 0.00 C ATOM 853 C LYS A 107 7.652 -1.578 -13.621 1.00 0.00 C ATOM 854 O LYS A 107 8.088 -2.616 -14.118 1.00 0.00 O ATOM 855 CB LYS A 107 7.039 0.149 -15.411 1.00 0.00 C ATOM 856 CG LYS A 107 7.632 -0.639 -16.581 1.00 0.00 C ATOM 857 CD LYS A 107 9.131 -0.870 -16.383 1.00 0.00 C ATOM 858 CE LYS A 107 9.850 -0.992 -17.729 1.00 0.00 C ATOM 859 NZ LYS A 107 10.027 -2.414 -18.094 1.00 0.00 N ATOM 0 H LYS A 107 5.686 0.944 -13.507 1.00 0.00 H new ATOM 0 HA LYS A 107 5.899 -1.519 -14.816 1.00 0.00 H new ATOM 0 HB2 LYS A 107 6.217 0.771 -15.766 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.793 0.821 -15.001 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.122 -1.598 -16.674 1.00 0.00 H new ATOM 0 HG3 LYS A 107 7.464 -0.097 -17.512 1.00 0.00 H new ATOM 0 HD2 LYS A 107 9.557 -0.045 -15.812 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.289 -1.777 -15.799 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.277 -0.481 -18.502 1.00 0.00 H new ATOM 0 HE3 LYS A 107 10.821 -0.501 -17.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.516 -2.479 -19.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.593 -2.892 -17.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.096 -2.872 -18.166 1.00 0.00 H new ATOM 860 N ILE A 108 8.083 -1.054 -12.483 1.00 0.00 N ATOM 861 CA ILE A 108 9.138 -1.693 -11.716 1.00 0.00 C ATOM 862 C ILE A 108 8.532 -2.787 -10.835 1.00 0.00 C ATOM 863 O ILE A 108 9.096 -3.873 -10.710 1.00 0.00 O ATOM 864 CB ILE A 108 9.941 -0.650 -10.936 1.00 0.00 C ATOM 865 CG1 ILE A 108 10.512 0.417 -11.874 1.00 0.00 C ATOM 866 CG2 ILE A 108 11.032 -1.315 -10.093 1.00 0.00 C ATOM 867 CD1 ILE A 108 11.672 1.163 -11.213 1.00 0.00 C ATOM 0 H ILE A 108 7.720 -0.193 -12.074 1.00 0.00 H new ATOM 0 HA ILE A 108 9.852 -2.178 -12.382 1.00 0.00 H new ATOM 0 HB ILE A 108 9.265 -0.144 -10.247 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.854 -0.051 -12.797 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.728 1.124 -12.147 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.588 -0.551 -9.549 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.574 -2.005 -9.384 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.712 -1.863 -10.745 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.060 1.915 -11.900 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.320 1.650 -10.303 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.464 0.457 -10.964 1.00 0.00 H new ATOM 868 N ALA A 109 7.390 -2.463 -10.246 1.00 0.00 N ATOM 869 CA ALA A 109 6.701 -3.404 -9.380 1.00 0.00 C ATOM 870 C ALA A 109 6.741 -4.796 -10.014 1.00 0.00 C ATOM 871 O ALA A 109 6.766 -5.804 -9.308 1.00 0.00 O ATOM 872 CB ALA A 109 5.272 -2.918 -9.130 1.00 0.00 C ATOM 0 H ALA A 109 6.925 -1.561 -10.352 1.00 0.00 H new ATOM 0 HA ALA A 109 7.197 -3.468 -8.411 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.756 -3.625 -8.480 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.299 -1.939 -8.652 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.742 -2.844 -10.079 1.00 0.00 H new ATOM 873 N LYS A 110 6.744 -4.808 -11.339 1.00 0.00 N ATOM 874 CA LYS A 110 6.780 -6.060 -12.075 1.00 0.00 C ATOM 875 C LYS A 110 5.381 -6.682 -12.085 1.00 0.00 C ATOM 876 O LYS A 110 5.240 -7.902 -12.024 1.00 0.00 O ATOM 877 CB LYS A 110 7.860 -6.984 -11.510 1.00 0.00 C ATOM 878 CG LYS A 110 8.200 -8.101 -12.499 1.00 0.00 C ATOM 879 CD LYS A 110 9.434 -8.882 -12.043 1.00 0.00 C ATOM 880 CE LYS A 110 9.811 -9.957 -13.064 1.00 0.00 C ATOM 881 NZ LYS A 110 11.237 -10.328 -12.922 1.00 0.00 N ATOM 0 H LYS A 110 6.722 -3.971 -11.921 1.00 0.00 H new ATOM 0 HA LYS A 110 7.058 -5.882 -13.114 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.757 -6.406 -11.286 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.517 -7.417 -10.570 1.00 0.00 H new ATOM 0 HG2 LYS A 110 7.351 -8.778 -12.594 1.00 0.00 H new ATOM 0 HG3 LYS A 110 8.379 -7.675 -13.486 1.00 0.00 H new ATOM 0 HD2 LYS A 110 10.271 -8.198 -11.904 1.00 0.00 H new ATOM 0 HD3 LYS A 110 9.238 -9.346 -11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.184 -10.837 -12.923 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.623 -9.591 -14.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 11.477 -11.059 -13.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 11.831 -9.489 -13.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 11.406 -10.697 -11.965 1.00 0.00 H new ATOM 882 N VAL A 111 4.383 -5.814 -12.160 1.00 0.00 N ATOM 883 CA VAL A 111 3.001 -6.263 -12.178 1.00 0.00 C ATOM 884 C VAL A 111 2.475 -6.222 -13.613 1.00 0.00 C ATOM 885 O VAL A 111 1.297 -6.482 -13.854 1.00 0.00 O ATOM 886 CB VAL A 111 2.166 -5.423 -11.209 1.00 0.00 C ATOM 887 CG1 VAL A 111 2.685 -5.561 -9.777 1.00 0.00 C ATOM 888 CG2 VAL A 111 2.136 -3.956 -11.643 1.00 0.00 C ATOM 0 H VAL A 111 4.504 -4.802 -12.209 1.00 0.00 H new ATOM 0 HA VAL A 111 2.929 -7.296 -11.836 1.00 0.00 H new ATOM 0 HB VAL A 111 1.144 -5.801 -11.232 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.074 -4.954 -9.109 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.631 -6.605 -9.470 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.720 -5.222 -9.731 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.536 -3.380 -10.938 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.152 -3.561 -11.662 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.698 -3.880 -12.638 1.00 0.00 H new ATOM 889 N PHE A 112 3.372 -5.890 -14.530 1.00 0.00 N ATOM 890 CA PHE A 112 3.012 -5.810 -15.935 1.00 0.00 C ATOM 891 C PHE A 112 3.775 -6.852 -16.757 1.00 0.00 C ATOM 892 O PHE A 112 5.005 -6.875 -16.748 1.00 0.00 O ATOM 893 CB PHE A 112 3.402 -4.412 -16.419 1.00 0.00 C ATOM 894 CG PHE A 112 2.358 -3.336 -16.114 1.00 0.00 C ATOM 895 CD1 PHE A 112 1.307 -3.619 -15.298 1.00 0.00 C ATOM 896 CD2 PHE A 112 2.481 -2.095 -16.659 1.00 0.00 C ATOM 897 CE1 PHE A 112 0.339 -2.620 -15.017 1.00 0.00 C ATOM 898 CE2 PHE A 112 1.513 -1.096 -16.377 1.00 0.00 C ATOM 899 CZ PHE A 112 0.462 -1.379 -15.562 1.00 0.00 C ATOM 0 H PHE A 112 4.348 -5.673 -14.327 1.00 0.00 H new ATOM 0 HA PHE A 112 1.946 -6.000 -16.056 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.347 -4.129 -15.956 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.571 -4.445 -17.495 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.209 -4.603 -14.864 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.316 -1.870 -17.306 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.496 -2.845 -14.370 1.00 0.00 H new ATOM 0 HE2 PHE A 112 1.611 -0.111 -16.810 1.00 0.00 H new ATOM 0 HZ PHE A 112 -0.275 -0.619 -15.347 1.00 0.00 H new ATOM 900 N ASN A 113 3.014 -7.689 -17.446 1.00 0.00 N ATOM 901 CA ASN A 113 3.603 -8.730 -18.271 1.00 0.00 C ATOM 902 C ASN A 113 4.905 -8.213 -18.885 1.00 0.00 C ATOM 903 O ASN A 113 5.894 -8.941 -18.957 1.00 0.00 O ATOM 904 CB ASN A 113 2.666 -9.124 -19.414 1.00 0.00 C ATOM 905 CG ASN A 113 1.296 -9.544 -18.879 1.00 0.00 C ATOM 906 OD1 ASN A 113 1.055 -10.695 -18.553 1.00 0.00 O ATOM 907 ND2 ASN A 113 0.414 -8.551 -18.809 1.00 0.00 N ATOM 0 H ASN A 113 1.994 -7.668 -17.450 1.00 0.00 H new ATOM 0 HA ASN A 113 3.785 -9.598 -17.638 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.551 -8.285 -20.100 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.105 -9.943 -19.983 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.530 -8.730 -18.466 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.681 -7.610 -19.098 1.00 0.00 H new