USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 835 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 7 ASN : amide:sc= -2.48 K(o=-0.8,f=0.65) USER MOD Set 1.2: A 62 SER OG : rot 80:sc= 1.68 USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.00806) USER MOD Single : A 1 MET N :NH3+ 164:sc= 3.04 (180deg=2.72) USER MOD Single : A 10 THR OG1 : rot -170:sc= 0.798 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 1.13 K(o=1.1,f=-0.0046) USER MOD Single : A 18 SER OG : rot 164:sc= 0.865 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0795 USER MOD Single : A 48 TYR OH : rot 130:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -169:sc= 0.578 (180deg=0.371) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 140:sc= -0.313 (180deg=-1.14) USER MOD Single : A 54 CYS SG : rot 145:sc= -2.65! USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= 1.23 (180deg=0.951) USER MOD Single : A 58 ASN : amide:sc= 0.00143 K(o=0.0014,f=-10!) USER MOD Single : A 59 THR OG1 : rot 84:sc= 1.06 USER MOD Single : A 64 ASN : amide:sc= 1.17 K(o=1.2,f=-0.96) USER MOD Single : A 67 SER OG : rot 70:sc= 1.2 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 1.28 USER MOD Single : A 76 THR OG1 : rot 107:sc= 0.905 USER MOD Single : A 78 MET CE :methyl 180:sc= -0.739 (180deg=-0.739) USER MOD Single : A 81 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0961) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -156:sc= -0.334 (180deg=-0.795) USER MOD Single : A 86 CYS SG : rot 170:sc= -0.0416 USER MOD Single : A 88 THR OG1 : rot 180:sc=-0.00665 USER MOD Single : A 95 LYS NZ :NH3+ 172:sc= -0.501 (180deg=-0.521) USER MOD Single : A 97 THR OG1 : rot -170:sc= -0.0105 USER MOD Single : A 100 GLN : amide:sc= -0.0566 X(o=-0.057,f=-0.036) USER MOD Single : A 101 THR OG1 : rot 71:sc= 1.22 USER MOD Single : A 104 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0181) USER MOD Single : A 105 TYR OH : rot -137:sc= 1.33 USER MOD Single : A 107 ASN : amide:sc= 1.08 K(o=1.1,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.094 4.687 -7.710 1.00 0.00 N ATOM 2 CA MET A 1 -5.722 4.477 -8.181 1.00 0.00 C ATOM 3 C MET A 1 -5.515 2.991 -8.484 1.00 0.00 C ATOM 4 O MET A 1 -6.131 2.163 -7.820 1.00 0.00 O ATOM 5 CB MET A 1 -4.736 4.975 -7.109 1.00 0.00 C ATOM 6 CG MET A 1 -3.260 4.852 -7.511 1.00 0.00 C ATOM 7 SD MET A 1 -2.797 5.551 -9.115 1.00 0.00 S ATOM 8 CE MET A 1 -3.198 7.292 -8.846 1.00 0.00 C ATOM 0 H1 MET A 1 -7.165 5.618 -7.252 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.748 4.648 -8.518 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.344 3.945 -7.026 1.00 0.00 H new ATOM 0 HA MET A 1 -5.543 5.040 -9.097 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.955 6.019 -6.886 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.900 4.412 -6.190 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.656 5.334 -6.742 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.993 3.795 -7.510 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.936 7.867 -9.734 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.265 7.393 -8.650 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.635 7.667 -7.991 1.00 0.00 H new ATOM 20 N GLU A 2 -4.698 2.668 -9.492 1.00 0.00 N ATOM 21 CA GLU A 2 -4.354 1.302 -9.873 1.00 0.00 C ATOM 22 C GLU A 2 -3.026 0.913 -9.207 1.00 0.00 C ATOM 23 O GLU A 2 -2.292 1.798 -8.774 1.00 0.00 O ATOM 24 CB GLU A 2 -4.264 1.198 -11.402 1.00 0.00 C ATOM 25 CG GLU A 2 -3.261 2.187 -12.018 1.00 0.00 C ATOM 26 CD GLU A 2 -3.129 1.961 -13.520 1.00 0.00 C ATOM 27 OE1 GLU A 2 -2.320 1.084 -13.890 1.00 0.00 O ATOM 28 OE2 GLU A 2 -3.851 2.659 -14.264 1.00 0.00 O ATOM 0 H GLU A 2 -4.248 3.371 -10.078 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.126 0.611 -9.535 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.977 0.182 -11.674 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.250 1.376 -11.831 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.588 3.209 -11.827 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.288 2.069 -11.541 1.00 0.00 H new ATOM 35 N ALA A 3 -2.701 -0.386 -9.151 1.00 0.00 N ATOM 36 CA ALA A 3 -1.499 -0.913 -8.509 1.00 0.00 C ATOM 37 C ALA A 3 -0.205 -0.478 -9.205 1.00 0.00 C ATOM 38 O ALA A 3 0.487 -1.290 -9.817 1.00 0.00 O ATOM 39 CB ALA A 3 -1.596 -2.440 -8.479 1.00 0.00 C ATOM 0 H ALA A 3 -3.285 -1.114 -9.563 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.451 -0.505 -7.499 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.706 -2.852 -8.003 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.480 -2.737 -7.915 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.671 -2.820 -9.498 1.00 0.00 H new ATOM 45 N GLY A 4 0.144 0.801 -9.092 1.00 0.00 N ATOM 46 CA GLY A 4 1.360 1.331 -9.669 1.00 0.00 C ATOM 47 C GLY A 4 2.567 0.903 -8.839 1.00 0.00 C ATOM 48 O GLY A 4 2.462 0.686 -7.629 1.00 0.00 O ATOM 0 H GLY A 4 -0.415 1.495 -8.595 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.470 0.976 -10.694 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.307 2.419 -9.712 1.00 0.00 H new ATOM 52 N ALA A 5 3.719 0.783 -9.498 1.00 0.00 N ATOM 53 CA ALA A 5 4.967 0.482 -8.826 1.00 0.00 C ATOM 54 C ALA A 5 5.569 1.813 -8.394 1.00 0.00 C ATOM 55 O ALA A 5 6.061 2.571 -9.227 1.00 0.00 O ATOM 56 CB ALA A 5 5.916 -0.271 -9.751 1.00 0.00 C ATOM 0 H ALA A 5 3.806 0.893 -10.508 1.00 0.00 H new ATOM 0 HA ALA A 5 4.795 -0.162 -7.963 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.845 -0.485 -9.223 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.453 -1.207 -10.064 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.130 0.339 -10.628 1.00 0.00 H new ATOM 62 N VAL A 6 5.476 2.113 -7.104 1.00 0.00 N ATOM 63 CA VAL A 6 6.038 3.328 -6.534 1.00 0.00 C ATOM 64 C VAL A 6 7.445 3.021 -6.027 1.00 0.00 C ATOM 65 O VAL A 6 7.817 1.869 -5.790 1.00 0.00 O ATOM 66 CB VAL A 6 5.140 3.935 -5.430 1.00 0.00 C ATOM 67 CG1 VAL A 6 4.085 4.869 -6.023 1.00 0.00 C ATOM 68 CG2 VAL A 6 4.410 2.912 -4.559 1.00 0.00 C ATOM 0 H VAL A 6 5.006 1.517 -6.422 1.00 0.00 H new ATOM 0 HA VAL A 6 6.092 4.092 -7.310 1.00 0.00 H new ATOM 0 HB VAL A 6 5.842 4.474 -4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.470 5.279 -5.222 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.577 5.683 -6.555 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.454 4.312 -6.715 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.807 3.432 -3.815 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.764 2.297 -5.185 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.139 2.277 -4.055 1.00 0.00 H new ATOM 78 N ASN A 7 8.240 4.078 -5.891 1.00 0.00 N ATOM 79 CA ASN A 7 9.594 4.046 -5.377 1.00 0.00 C ATOM 80 C ASN A 7 9.770 5.318 -4.565 1.00 0.00 C ATOM 81 O ASN A 7 8.876 6.162 -4.566 1.00 0.00 O ATOM 82 CB ASN A 7 10.583 3.958 -6.543 1.00 0.00 C ATOM 83 CG ASN A 7 12.054 3.847 -6.161 1.00 0.00 C ATOM 84 OD1 ASN A 7 12.913 4.422 -6.818 1.00 0.00 O ATOM 85 ND2 ASN A 7 12.363 3.085 -5.119 1.00 0.00 N ATOM 0 H ASN A 7 7.940 5.018 -6.149 1.00 0.00 H new ATOM 0 HA ASN A 7 9.782 3.177 -4.746 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.320 3.094 -7.153 1.00 0.00 H new ATOM 0 HB3 ASN A 7 10.456 4.841 -7.169 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.338 2.966 -4.846 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.625 2.619 -4.591 1.00 0.00 H new ATOM 92 N ASP A 8 10.914 5.462 -3.903 1.00 0.00 N ATOM 93 CA ASP A 8 11.244 6.578 -3.018 1.00 0.00 C ATOM 94 C ASP A 8 10.743 7.915 -3.560 1.00 0.00 C ATOM 95 O ASP A 8 10.083 8.677 -2.858 1.00 0.00 O ATOM 96 CB ASP A 8 12.764 6.626 -2.839 1.00 0.00 C ATOM 97 CG ASP A 8 13.190 7.596 -1.741 1.00 0.00 C ATOM 98 OD1 ASP A 8 12.496 7.642 -0.705 1.00 0.00 O ATOM 99 OD2 ASP A 8 14.247 8.237 -1.928 1.00 0.00 O ATOM 0 H ASP A 8 11.668 4.778 -3.970 1.00 0.00 H new ATOM 0 HA ASP A 8 10.746 6.415 -2.062 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.131 5.628 -2.600 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.229 6.920 -3.780 1.00 0.00 H new ATOM 104 N ASP A 9 11.057 8.167 -4.829 1.00 0.00 N ATOM 105 CA ASP A 9 10.625 9.362 -5.536 1.00 0.00 C ATOM 106 C ASP A 9 9.097 9.409 -5.660 1.00 0.00 C ATOM 107 O ASP A 9 8.433 10.119 -4.912 1.00 0.00 O ATOM 108 CB ASP A 9 11.287 9.402 -6.919 1.00 0.00 C ATOM 109 CG ASP A 9 10.755 10.571 -7.741 1.00 0.00 C ATOM 110 OD1 ASP A 9 10.999 11.720 -7.314 1.00 0.00 O ATOM 111 OD2 ASP A 9 10.102 10.288 -8.768 1.00 0.00 O ATOM 0 H ASP A 9 11.624 7.538 -5.398 1.00 0.00 H new ATOM 0 HA ASP A 9 10.932 10.239 -4.967 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.368 9.492 -6.807 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.098 8.466 -7.445 1.00 0.00 H new ATOM 116 N THR A 10 8.539 8.648 -6.605 1.00 0.00 N ATOM 117 CA THR A 10 7.118 8.633 -6.946 1.00 0.00 C ATOM 118 C THR A 10 6.216 8.571 -5.710 1.00 0.00 C ATOM 119 O THR A 10 5.210 9.275 -5.658 1.00 0.00 O ATOM 120 CB THR A 10 6.860 7.465 -7.908 1.00 0.00 C ATOM 121 OG1 THR A 10 7.509 6.294 -7.448 1.00 0.00 O ATOM 122 CG2 THR A 10 7.404 7.797 -9.301 1.00 0.00 C ATOM 0 H THR A 10 9.087 8.002 -7.174 1.00 0.00 H new ATOM 0 HA THR A 10 6.863 9.572 -7.437 1.00 0.00 H new ATOM 0 HB THR A 10 5.784 7.300 -7.954 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.470 5.604 -8.143 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.215 6.961 -9.974 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.908 8.689 -9.682 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.477 7.977 -9.239 1.00 0.00 H new ATOM 130 N PHE A 11 6.589 7.758 -4.717 1.00 0.00 N ATOM 131 CA PHE A 11 5.923 7.614 -3.424 1.00 0.00 C ATOM 132 C PHE A 11 5.451 8.961 -2.889 1.00 0.00 C ATOM 133 O PHE A 11 4.329 9.119 -2.416 1.00 0.00 O ATOM 134 CB PHE A 11 6.942 7.036 -2.443 1.00 0.00 C ATOM 135 CG PHE A 11 6.473 6.902 -1.012 1.00 0.00 C ATOM 136 CD1 PHE A 11 5.527 5.920 -0.671 1.00 0.00 C ATOM 137 CD2 PHE A 11 7.001 7.744 -0.017 1.00 0.00 C ATOM 138 CE1 PHE A 11 5.108 5.780 0.663 1.00 0.00 C ATOM 139 CE2 PHE A 11 6.585 7.601 1.316 1.00 0.00 C ATOM 140 CZ PHE A 11 5.636 6.622 1.655 1.00 0.00 C ATOM 0 H PHE A 11 7.406 7.153 -4.800 1.00 0.00 H new ATOM 0 HA PHE A 11 5.053 6.968 -3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.245 6.052 -2.800 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.831 7.667 -2.457 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.122 5.273 -1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.726 8.500 -0.278 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.381 5.026 0.925 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.995 8.244 2.081 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.312 6.517 2.680 1.00 0.00 H new ATOM 150 N LYS A 12 6.338 9.942 -2.965 1.00 0.00 N ATOM 151 CA LYS A 12 6.054 11.304 -2.543 1.00 0.00 C ATOM 152 C LYS A 12 4.740 11.802 -3.155 1.00 0.00 C ATOM 153 O LYS A 12 3.758 12.050 -2.459 1.00 0.00 O ATOM 154 CB LYS A 12 7.191 12.231 -2.977 1.00 0.00 C ATOM 155 CG LYS A 12 8.488 11.948 -2.204 1.00 0.00 C ATOM 156 CD LYS A 12 9.708 12.590 -2.876 1.00 0.00 C ATOM 157 CE LYS A 12 9.618 14.118 -2.926 1.00 0.00 C ATOM 158 NZ LYS A 12 10.837 14.700 -3.516 1.00 0.00 N ATOM 0 H LYS A 12 7.284 9.813 -3.325 1.00 0.00 H new ATOM 0 HA LYS A 12 5.963 11.311 -1.457 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.371 12.109 -4.045 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.894 13.268 -2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.394 12.326 -1.186 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.639 10.871 -2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.610 12.301 -2.336 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.805 12.202 -3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.748 14.416 -3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.474 14.510 -1.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.751 15.736 -3.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.662 14.433 -2.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.959 14.342 -4.485 1.00 0.00 H new ATOM 172 N ASN A 13 4.724 11.945 -4.477 1.00 0.00 N ATOM 173 CA ASN A 13 3.586 12.476 -5.207 1.00 0.00 C ATOM 174 C ASN A 13 2.373 11.564 -5.122 1.00 0.00 C ATOM 175 O ASN A 13 1.237 12.026 -5.094 1.00 0.00 O ATOM 176 CB ASN A 13 3.973 12.628 -6.678 1.00 0.00 C ATOM 177 CG ASN A 13 4.997 13.740 -6.859 1.00 0.00 C ATOM 178 OD1 ASN A 13 6.128 13.493 -7.259 1.00 0.00 O ATOM 179 ND2 ASN A 13 4.617 14.972 -6.531 1.00 0.00 N ATOM 0 H ASN A 13 5.511 11.692 -5.074 1.00 0.00 H new ATOM 0 HA ASN A 13 3.322 13.434 -4.760 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.381 11.688 -7.050 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.085 12.846 -7.271 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.276 15.747 -6.609 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.667 15.142 -6.201 1.00 0.00 H new ATOM 186 N VAL A 14 2.635 10.263 -5.120 1.00 0.00 N ATOM 187 CA VAL A 14 1.609 9.240 -5.242 1.00 0.00 C ATOM 188 C VAL A 14 1.041 8.790 -3.892 1.00 0.00 C ATOM 189 O VAL A 14 0.006 8.124 -3.866 1.00 0.00 O ATOM 190 CB VAL A 14 2.226 8.086 -6.052 1.00 0.00 C ATOM 191 CG1 VAL A 14 1.276 6.899 -6.180 1.00 0.00 C ATOM 192 CG2 VAL A 14 2.587 8.552 -7.472 1.00 0.00 C ATOM 0 H VAL A 14 3.579 9.886 -5.032 1.00 0.00 H new ATOM 0 HA VAL A 14 0.739 9.642 -5.761 1.00 0.00 H new ATOM 0 HB VAL A 14 3.118 7.775 -5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.755 6.110 -6.759 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.029 6.522 -5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.363 7.216 -6.685 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.022 7.721 -8.028 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.687 8.898 -7.981 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.308 9.367 -7.415 1.00 0.00 H new ATOM 202 N VAL A 15 1.678 9.139 -2.773 1.00 0.00 N ATOM 203 CA VAL A 15 1.227 8.737 -1.450 1.00 0.00 C ATOM 204 C VAL A 15 1.223 9.953 -0.521 1.00 0.00 C ATOM 205 O VAL A 15 0.157 10.417 -0.127 1.00 0.00 O ATOM 206 CB VAL A 15 2.108 7.585 -0.925 1.00 0.00 C ATOM 207 CG1 VAL A 15 1.478 6.974 0.329 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.298 6.485 -1.978 1.00 0.00 C ATOM 0 H VAL A 15 2.523 9.710 -2.764 1.00 0.00 H new ATOM 0 HA VAL A 15 0.205 8.360 -1.494 1.00 0.00 H new ATOM 0 HB VAL A 15 3.086 8.005 -0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.107 6.161 0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.390 7.738 1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.488 6.587 0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.924 5.693 -1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.327 6.074 -2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.778 6.906 -2.862 1.00 0.00 H new ATOM 218 N LEU A 16 2.397 10.507 -0.210 1.00 0.00 N ATOM 219 CA LEU A 16 2.533 11.625 0.718 1.00 0.00 C ATOM 220 C LEU A 16 1.715 12.845 0.295 1.00 0.00 C ATOM 221 O LEU A 16 1.224 13.583 1.143 1.00 0.00 O ATOM 222 CB LEU A 16 4.005 12.024 0.855 1.00 0.00 C ATOM 223 CG LEU A 16 4.918 10.917 1.412 1.00 0.00 C ATOM 224 CD1 LEU A 16 6.313 11.505 1.658 1.00 0.00 C ATOM 225 CD2 LEU A 16 4.390 10.316 2.721 1.00 0.00 C ATOM 0 H LEU A 16 3.284 10.188 -0.599 1.00 0.00 H new ATOM 0 HA LEU A 16 2.145 11.284 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.378 12.327 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.073 12.895 1.506 1.00 0.00 H new ATOM 0 HG LEU A 16 4.949 10.114 0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.970 10.730 2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.720 11.882 0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.242 12.322 2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.074 9.541 3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.316 11.098 3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.405 9.881 2.551 1.00 0.00 H new ATOM 237 N GLU A 17 1.606 13.082 -1.009 1.00 0.00 N ATOM 238 CA GLU A 17 0.838 14.185 -1.576 1.00 0.00 C ATOM 239 C GLU A 17 -0.600 13.756 -1.939 1.00 0.00 C ATOM 240 O GLU A 17 -1.404 14.604 -2.322 1.00 0.00 O ATOM 241 CB GLU A 17 1.617 14.727 -2.788 1.00 0.00 C ATOM 242 CG GLU A 17 1.150 16.108 -3.271 1.00 0.00 C ATOM 243 CD GLU A 17 2.042 16.633 -4.393 1.00 0.00 C ATOM 244 OE1 GLU A 17 2.263 15.863 -5.355 1.00 0.00 O ATOM 245 OE2 GLU A 17 2.500 17.789 -4.267 1.00 0.00 O ATOM 0 H GLU A 17 2.058 12.501 -1.715 1.00 0.00 H new ATOM 0 HA GLU A 17 0.720 14.979 -0.838 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.675 14.783 -2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.527 14.017 -3.610 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.120 16.044 -3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.160 16.810 -2.437 1.00 0.00 H new ATOM 252 N SER A 18 -0.965 12.473 -1.817 1.00 0.00 N ATOM 253 CA SER A 18 -2.290 12.010 -2.208 1.00 0.00 C ATOM 254 C SER A 18 -3.352 12.374 -1.168 1.00 0.00 C ATOM 255 O SER A 18 -3.194 12.120 0.026 1.00 0.00 O ATOM 256 CB SER A 18 -2.273 10.500 -2.419 1.00 0.00 C ATOM 257 OG SER A 18 -1.552 10.242 -3.604 1.00 0.00 O ATOM 0 H SER A 18 -0.356 11.742 -1.450 1.00 0.00 H new ATOM 0 HA SER A 18 -2.551 12.511 -3.140 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.806 10.000 -1.570 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.289 10.113 -2.497 1.00 0.00 H new ATOM 0 HG SER A 18 -1.302 9.295 -3.635 1.00 0.00 H new ATOM 263 N SER A 19 -4.471 12.924 -1.639 1.00 0.00 N ATOM 264 CA SER A 19 -5.609 13.308 -0.828 1.00 0.00 C ATOM 265 C SER A 19 -6.444 12.070 -0.499 1.00 0.00 C ATOM 266 O SER A 19 -6.680 11.769 0.673 1.00 0.00 O ATOM 267 CB SER A 19 -6.421 14.314 -1.648 1.00 0.00 C ATOM 268 OG SER A 19 -6.493 13.851 -2.989 1.00 0.00 O ATOM 0 H SER A 19 -4.607 13.118 -2.631 1.00 0.00 H new ATOM 0 HA SER A 19 -5.297 13.756 0.116 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.422 14.422 -1.231 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.953 15.298 -1.612 1.00 0.00 H new ATOM 0 HG SER A 19 -7.012 14.485 -3.527 1.00 0.00 H new ATOM 274 N VAL A 20 -6.821 11.320 -1.539 1.00 0.00 N ATOM 275 CA VAL A 20 -7.656 10.132 -1.401 1.00 0.00 C ATOM 276 C VAL A 20 -6.777 8.999 -0.868 1.00 0.00 C ATOM 277 O VAL A 20 -5.561 9.031 -1.068 1.00 0.00 O ATOM 278 CB VAL A 20 -8.288 9.735 -2.752 1.00 0.00 C ATOM 279 CG1 VAL A 20 -9.258 10.824 -3.228 1.00 0.00 C ATOM 280 CG2 VAL A 20 -7.257 9.446 -3.853 1.00 0.00 C ATOM 0 H VAL A 20 -6.553 11.524 -2.502 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.475 10.336 -0.711 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.824 8.804 -2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.696 10.530 -4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.050 10.954 -2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.719 11.763 -3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.774 9.174 -4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.651 10.335 -4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.613 8.624 -3.542 1.00 0.00 H new ATOM 290 N PRO A 21 -7.356 8.021 -0.153 1.00 0.00 N ATOM 291 CA PRO A 21 -6.563 6.973 0.452 1.00 0.00 C ATOM 292 C PRO A 21 -5.855 6.102 -0.566 1.00 0.00 C ATOM 293 O PRO A 21 -6.350 5.927 -1.678 1.00 0.00 O ATOM 294 CB PRO A 21 -7.501 6.111 1.293 1.00 0.00 C ATOM 295 CG PRO A 21 -8.756 6.956 1.430 1.00 0.00 C ATOM 296 CD PRO A 21 -8.755 7.901 0.223 1.00 0.00 C ATOM 0 HA PRO A 21 -5.784 7.438 1.056 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.712 5.159 0.806 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.067 5.881 2.266 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.649 6.332 1.437 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.751 7.516 2.365 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.351 7.498 -0.595 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.180 8.871 0.480 1.00 0.00 H new ATOM 304 N VAL A 22 -4.745 5.502 -0.126 1.00 0.00 N ATOM 305 CA VAL A 22 -3.929 4.603 -0.922 1.00 0.00 C ATOM 306 C VAL A 22 -3.256 3.506 -0.104 1.00 0.00 C ATOM 307 O VAL A 22 -2.605 3.798 0.901 1.00 0.00 O ATOM 308 CB VAL A 22 -2.978 5.368 -1.860 1.00 0.00 C ATOM 309 CG1 VAL A 22 -3.583 5.301 -3.270 1.00 0.00 C ATOM 310 CG2 VAL A 22 -2.733 6.831 -1.467 1.00 0.00 C ATOM 0 H VAL A 22 -4.386 5.637 0.819 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.611 4.058 -1.575 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.999 4.894 -1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.937 5.833 -3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.671 4.259 -3.579 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.570 5.763 -3.265 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.052 7.291 -2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.680 7.371 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.293 6.871 -0.470 1.00 0.00 H new ATOM 320 N LEU A 23 -3.451 2.242 -0.536 1.00 0.00 N ATOM 321 CA LEU A 23 -2.916 1.071 0.132 1.00 0.00 C ATOM 322 C LEU A 23 -1.585 0.756 -0.522 1.00 0.00 C ATOM 323 O LEU A 23 -1.555 0.129 -1.577 1.00 0.00 O ATOM 324 CB LEU A 23 -3.903 -0.088 -0.033 1.00 0.00 C ATOM 325 CG LEU A 23 -3.614 -1.300 0.858 1.00 0.00 C ATOM 326 CD1 LEU A 23 -4.009 -1.025 2.317 1.00 0.00 C ATOM 327 CD2 LEU A 23 -4.412 -2.498 0.333 1.00 0.00 C ATOM 0 H LEU A 23 -3.994 2.020 -1.371 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.771 1.239 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.908 0.274 0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.896 -0.409 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.544 -1.508 0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.792 -1.904 2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.441 -0.174 2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.075 -0.802 2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.215 -3.369 0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.477 -2.266 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.112 -2.713 -0.693 1.00 0.00 H new ATOM 339 N VAL A 24 -0.493 1.234 0.062 1.00 0.00 N ATOM 340 CA VAL A 24 0.824 0.999 -0.493 1.00 0.00 C ATOM 341 C VAL A 24 1.369 -0.278 0.140 1.00 0.00 C ATOM 342 O VAL A 24 1.614 -0.340 1.350 1.00 0.00 O ATOM 343 CB VAL A 24 1.726 2.233 -0.327 1.00 0.00 C ATOM 344 CG1 VAL A 24 1.519 2.942 1.006 1.00 0.00 C ATOM 345 CG2 VAL A 24 3.203 1.878 -0.536 1.00 0.00 C ATOM 0 H VAL A 24 -0.499 1.786 0.920 1.00 0.00 H new ATOM 0 HA VAL A 24 0.783 0.847 -1.572 1.00 0.00 H new ATOM 0 HB VAL A 24 1.429 2.936 -1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.182 3.805 1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.484 3.274 1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.742 2.255 1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.813 2.773 -0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.504 1.129 0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.343 1.480 -1.541 1.00 0.00 H new ATOM 355 N ASP A 25 1.524 -1.314 -0.689 1.00 0.00 N ATOM 356 CA ASP A 25 2.108 -2.571 -0.267 1.00 0.00 C ATOM 357 C ASP A 25 3.621 -2.449 -0.427 1.00 0.00 C ATOM 358 O ASP A 25 4.108 -2.295 -1.545 1.00 0.00 O ATOM 359 CB ASP A 25 1.556 -3.740 -1.092 1.00 0.00 C ATOM 360 CG ASP A 25 2.258 -5.060 -0.763 1.00 0.00 C ATOM 361 OD1 ASP A 25 2.750 -5.190 0.379 1.00 0.00 O ATOM 362 OD2 ASP A 25 2.289 -5.921 -1.669 1.00 0.00 O ATOM 0 H ASP A 25 1.245 -1.296 -1.670 1.00 0.00 H new ATOM 0 HA ASP A 25 1.854 -2.777 0.773 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.487 -3.842 -0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.674 -3.522 -2.153 1.00 0.00 H new ATOM 367 N PHE A 26 4.369 -2.484 0.673 1.00 0.00 N ATOM 368 CA PHE A 26 5.821 -2.478 0.633 1.00 0.00 C ATOM 369 C PHE A 26 6.179 -3.917 0.292 1.00 0.00 C ATOM 370 O PHE A 26 6.060 -4.786 1.156 1.00 0.00 O ATOM 371 CB PHE A 26 6.422 -2.069 1.982 1.00 0.00 C ATOM 372 CG PHE A 26 6.339 -0.593 2.333 1.00 0.00 C ATOM 373 CD1 PHE A 26 5.096 0.060 2.449 1.00 0.00 C ATOM 374 CD2 PHE A 26 7.518 0.113 2.636 1.00 0.00 C ATOM 375 CE1 PHE A 26 5.040 1.413 2.821 1.00 0.00 C ATOM 376 CE2 PHE A 26 7.454 1.436 3.102 1.00 0.00 C ATOM 377 CZ PHE A 26 6.217 2.098 3.169 1.00 0.00 C ATOM 0 H PHE A 26 3.981 -2.517 1.616 1.00 0.00 H new ATOM 0 HA PHE A 26 6.213 -1.759 -0.087 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.921 -2.636 2.766 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.471 -2.366 1.994 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.183 -0.482 2.251 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.478 -0.366 2.509 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.091 1.928 2.840 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.356 1.945 3.409 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.170 3.129 3.487 1.00 0.00 H new ATOM 387 N TRP A 27 6.546 -4.159 -0.968 1.00 0.00 N ATOM 388 CA TRP A 27 6.798 -5.487 -1.507 1.00 0.00 C ATOM 389 C TRP A 27 8.230 -5.593 -2.019 1.00 0.00 C ATOM 390 O TRP A 27 9.044 -4.684 -1.851 1.00 0.00 O ATOM 391 CB TRP A 27 5.815 -5.762 -2.661 1.00 0.00 C ATOM 392 CG TRP A 27 6.141 -5.047 -3.939 1.00 0.00 C ATOM 393 CD1 TRP A 27 6.042 -3.717 -4.132 1.00 0.00 C ATOM 394 CD2 TRP A 27 6.773 -5.572 -5.143 1.00 0.00 C ATOM 395 NE1 TRP A 27 6.664 -3.359 -5.310 1.00 0.00 N ATOM 396 CE2 TRP A 27 7.168 -4.469 -5.957 1.00 0.00 C ATOM 397 CE3 TRP A 27 7.100 -6.864 -5.610 1.00 0.00 C ATOM 398 CZ2 TRP A 27 7.914 -4.640 -7.133 1.00 0.00 C ATOM 399 CZ3 TRP A 27 7.766 -7.043 -6.835 1.00 0.00 C ATOM 400 CH2 TRP A 27 8.192 -5.937 -7.586 1.00 0.00 C ATOM 0 H TRP A 27 6.678 -3.416 -1.654 1.00 0.00 H new ATOM 0 HA TRP A 27 6.656 -6.223 -0.716 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.793 -6.834 -2.855 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.813 -5.474 -2.344 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.547 -3.030 -3.461 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.741 -2.403 -5.656 1.00 0.00 H new ATOM 0 HE3 TRP A 27 6.835 -7.727 -5.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.270 -3.782 -7.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 7.952 -8.042 -7.202 1.00 0.00 H new ATOM 0 HH2 TRP A 27 8.732 -6.084 -8.510 1.00 0.00 H new ATOM 411 N ALA A 28 8.535 -6.697 -2.694 1.00 0.00 N ATOM 412 CA ALA A 28 9.790 -6.913 -3.393 1.00 0.00 C ATOM 413 C ALA A 28 9.635 -8.188 -4.217 1.00 0.00 C ATOM 414 O ALA A 28 8.854 -9.054 -3.832 1.00 0.00 O ATOM 415 CB ALA A 28 10.958 -7.083 -2.418 1.00 0.00 C ATOM 0 H ALA A 28 7.894 -7.487 -2.770 1.00 0.00 H new ATOM 0 HA ALA A 28 10.009 -6.048 -4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.879 -7.242 -2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.056 -6.186 -1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.772 -7.942 -1.774 1.00 0.00 H new ATOM 421 N PRO A 29 10.353 -8.359 -5.332 1.00 0.00 N ATOM 422 CA PRO A 29 10.281 -9.586 -6.111 1.00 0.00 C ATOM 423 C PRO A 29 10.619 -10.824 -5.275 1.00 0.00 C ATOM 424 O PRO A 29 10.013 -11.874 -5.466 1.00 0.00 O ATOM 425 CB PRO A 29 11.234 -9.373 -7.286 1.00 0.00 C ATOM 426 CG PRO A 29 12.153 -8.232 -6.836 1.00 0.00 C ATOM 427 CD PRO A 29 11.208 -7.388 -5.985 1.00 0.00 C ATOM 0 HA PRO A 29 9.269 -9.783 -6.464 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.802 -10.277 -7.504 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.691 -9.110 -8.194 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.005 -8.596 -6.262 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.553 -7.672 -7.681 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.756 -6.788 -5.259 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.630 -6.697 -6.598 1.00 0.00 H new ATOM 435 N TRP A 30 11.559 -10.715 -4.331 1.00 0.00 N ATOM 436 CA TRP A 30 11.912 -11.822 -3.446 1.00 0.00 C ATOM 437 C TRP A 30 10.868 -12.026 -2.334 1.00 0.00 C ATOM 438 O TRP A 30 10.973 -12.967 -1.549 1.00 0.00 O ATOM 439 CB TRP A 30 13.313 -11.572 -2.864 1.00 0.00 C ATOM 440 CG TRP A 30 13.582 -10.229 -2.244 1.00 0.00 C ATOM 441 CD1 TRP A 30 14.336 -9.254 -2.801 1.00 0.00 C ATOM 442 CD2 TRP A 30 13.177 -9.711 -0.938 1.00 0.00 C ATOM 443 NE1 TRP A 30 14.420 -8.172 -1.951 1.00 0.00 N ATOM 444 CE2 TRP A 30 13.706 -8.393 -0.790 1.00 0.00 C ATOM 445 CE3 TRP A 30 12.431 -10.224 0.146 1.00 0.00 C ATOM 446 CZ2 TRP A 30 13.473 -7.614 0.355 1.00 0.00 C ATOM 447 CZ3 TRP A 30 12.196 -9.454 1.299 1.00 0.00 C ATOM 448 CH2 TRP A 30 12.687 -8.140 1.394 1.00 0.00 C ATOM 0 H TRP A 30 12.092 -9.862 -4.162 1.00 0.00 H new ATOM 0 HA TRP A 30 11.922 -12.745 -4.026 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.503 -12.334 -2.109 1.00 0.00 H new ATOM 0 HB3 TRP A 30 14.040 -11.725 -3.662 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.805 -9.314 -3.772 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.942 -7.319 -2.153 1.00 0.00 H new ATOM 0 HE3 TRP A 30 12.034 -11.227 0.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 13.893 -6.622 0.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 11.633 -9.876 2.119 1.00 0.00 H new ATOM 0 HH2 TRP A 30 12.461 -7.538 2.262 1.00 0.00 H new ATOM 459 N CYS A 31 9.847 -11.174 -2.239 1.00 0.00 N ATOM 460 CA CYS A 31 8.872 -11.262 -1.163 1.00 0.00 C ATOM 461 C CYS A 31 7.791 -12.310 -1.448 1.00 0.00 C ATOM 462 O CYS A 31 6.702 -11.993 -1.928 1.00 0.00 O ATOM 463 CB CYS A 31 8.248 -9.896 -0.941 1.00 0.00 C ATOM 464 SG CYS A 31 7.009 -9.911 0.350 1.00 0.00 S ATOM 0 H CYS A 31 9.677 -10.415 -2.898 1.00 0.00 H new ATOM 0 HA CYS A 31 9.390 -11.583 -0.259 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.029 -9.181 -0.682 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.795 -9.551 -1.871 1.00 0.00 H new ATOM 469 N GLY A 32 8.085 -13.566 -1.106 1.00 0.00 N ATOM 470 CA GLY A 32 7.166 -14.693 -1.238 1.00 0.00 C ATOM 471 C GLY A 32 5.716 -14.365 -0.860 1.00 0.00 C ATOM 472 O GLY A 32 4.831 -14.530 -1.699 1.00 0.00 O ATOM 0 H GLY A 32 8.991 -13.832 -0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.190 -15.049 -2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.518 -15.511 -0.609 1.00 0.00 H new ATOM 476 N PRO A 33 5.430 -13.899 0.367 1.00 0.00 N ATOM 477 CA PRO A 33 4.060 -13.623 0.756 1.00 0.00 C ATOM 478 C PRO A 33 3.450 -12.465 -0.043 1.00 0.00 C ATOM 479 O PRO A 33 2.232 -12.398 -0.168 1.00 0.00 O ATOM 480 CB PRO A 33 4.070 -13.353 2.261 1.00 0.00 C ATOM 481 CG PRO A 33 5.450 -13.818 2.730 1.00 0.00 C ATOM 482 CD PRO A 33 6.329 -13.680 1.487 1.00 0.00 C ATOM 0 HA PRO A 33 3.422 -14.478 0.531 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.915 -12.295 2.475 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.275 -13.900 2.767 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.820 -13.204 3.551 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.424 -14.847 3.088 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.790 -12.693 1.437 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.138 -14.410 1.492 1.00 0.00 H new ATOM 490 N CYS A 34 4.262 -11.552 -0.593 1.00 0.00 N ATOM 491 CA CYS A 34 3.745 -10.457 -1.396 1.00 0.00 C ATOM 492 C CYS A 34 3.152 -11.035 -2.672 1.00 0.00 C ATOM 493 O CYS A 34 2.029 -10.711 -3.039 1.00 0.00 O ATOM 494 CB CYS A 34 4.800 -9.447 -1.786 1.00 0.00 C ATOM 495 SG CYS A 34 5.625 -8.587 -0.430 1.00 0.00 S ATOM 0 H CYS A 34 5.277 -11.558 -0.492 1.00 0.00 H new ATOM 0 HA CYS A 34 3.004 -9.937 -0.789 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.559 -9.957 -2.380 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.337 -8.701 -2.433 1.00 0.00 H new ATOM 500 N ARG A 35 3.916 -11.899 -3.351 1.00 0.00 N ATOM 501 CA ARG A 35 3.522 -12.513 -4.611 1.00 0.00 C ATOM 502 C ARG A 35 2.097 -13.058 -4.546 1.00 0.00 C ATOM 503 O ARG A 35 1.311 -12.853 -5.465 1.00 0.00 O ATOM 504 CB ARG A 35 4.477 -13.664 -4.945 1.00 0.00 C ATOM 505 CG ARG A 35 5.932 -13.235 -5.166 1.00 0.00 C ATOM 506 CD ARG A 35 6.778 -14.478 -5.456 1.00 0.00 C ATOM 507 NE ARG A 35 8.206 -14.147 -5.532 1.00 0.00 N ATOM 508 CZ ARG A 35 9.189 -15.046 -5.666 1.00 0.00 C ATOM 509 NH1 ARG A 35 8.916 -16.353 -5.743 1.00 0.00 N ATOM 510 NH2 ARG A 35 10.450 -14.612 -5.725 1.00 0.00 N ATOM 0 H ARG A 35 4.839 -12.192 -3.030 1.00 0.00 H new ATOM 0 HA ARG A 35 3.566 -11.745 -5.383 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.445 -14.393 -4.136 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.119 -14.168 -5.843 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.996 -12.533 -5.998 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.311 -12.719 -4.284 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.616 -15.221 -4.675 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.457 -14.928 -6.395 1.00 0.00 H new ATOM 0 HE ARG A 35 8.468 -13.163 -5.479 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.949 -16.675 -5.700 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.675 -17.027 -5.845 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.649 -13.613 -5.668 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.215 -15.279 -5.827 1.00 0.00 H new ATOM 524 N ILE A 36 1.770 -13.760 -3.460 1.00 0.00 N ATOM 525 CA ILE A 36 0.460 -14.379 -3.312 1.00 0.00 C ATOM 526 C ILE A 36 -0.636 -13.370 -2.925 1.00 0.00 C ATOM 527 O ILE A 36 -1.802 -13.680 -3.156 1.00 0.00 O ATOM 528 CB ILE A 36 0.542 -15.639 -2.419 1.00 0.00 C ATOM 529 CG1 ILE A 36 1.242 -15.468 -1.061 1.00 0.00 C ATOM 530 CG2 ILE A 36 1.316 -16.718 -3.193 1.00 0.00 C ATOM 531 CD1 ILE A 36 0.338 -14.808 -0.020 1.00 0.00 C ATOM 0 H ILE A 36 2.398 -13.912 -2.671 1.00 0.00 H new ATOM 0 HA ILE A 36 0.137 -14.736 -4.290 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.493 -15.895 -2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.562 -16.443 -0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.141 -14.866 -1.192 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.389 -17.620 -2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.792 -16.947 -4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.317 -16.353 -3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.879 -14.710 0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.039 -13.821 -0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.549 -15.422 0.133 1.00 0.00 H new ATOM 543 N ILE A 37 -0.323 -12.179 -2.381 1.00 0.00 N ATOM 544 CA ILE A 37 -1.355 -11.150 -2.178 1.00 0.00 C ATOM 545 C ILE A 37 -1.446 -10.256 -3.419 1.00 0.00 C ATOM 546 O ILE A 37 -2.495 -9.669 -3.660 1.00 0.00 O ATOM 547 CB ILE A 37 -1.162 -10.296 -0.912 1.00 0.00 C ATOM 548 CG1 ILE A 37 0.197 -9.591 -0.889 1.00 0.00 C ATOM 549 CG2 ILE A 37 -1.347 -11.157 0.343 1.00 0.00 C ATOM 550 CD1 ILE A 37 0.317 -8.571 0.240 1.00 0.00 C ATOM 0 H ILE A 37 0.614 -11.911 -2.081 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.292 -11.686 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.924 -9.517 -0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.986 -10.336 -0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.357 -9.090 -1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.208 -10.540 1.231 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.351 -11.580 0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.614 -11.963 0.342 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.301 -8.104 0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.451 -7.807 0.123 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.187 -9.073 1.199 1.00 0.00 H new ATOM 562 N ALA A 38 -0.397 -10.171 -4.244 1.00 0.00 N ATOM 563 CA ALA A 38 -0.399 -9.383 -5.473 1.00 0.00 C ATOM 564 C ALA A 38 -1.726 -9.446 -6.258 1.00 0.00 C ATOM 565 O ALA A 38 -2.181 -8.388 -6.686 1.00 0.00 O ATOM 566 CB ALA A 38 0.763 -9.816 -6.372 1.00 0.00 C ATOM 0 H ALA A 38 0.485 -10.654 -4.072 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.279 -8.344 -5.167 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.755 -9.224 -7.287 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.706 -9.661 -5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.656 -10.872 -6.622 1.00 0.00 H new ATOM 572 N PRO A 39 -2.395 -10.606 -6.436 1.00 0.00 N ATOM 573 CA PRO A 39 -3.654 -10.672 -7.162 1.00 0.00 C ATOM 574 C PRO A 39 -4.713 -9.838 -6.442 1.00 0.00 C ATOM 575 O PRO A 39 -5.492 -9.136 -7.080 1.00 0.00 O ATOM 576 CB PRO A 39 -4.050 -12.155 -7.223 1.00 0.00 C ATOM 577 CG PRO A 39 -2.765 -12.896 -6.858 1.00 0.00 C ATOM 578 CD PRO A 39 -2.124 -11.919 -5.881 1.00 0.00 C ATOM 0 HA PRO A 39 -3.562 -10.267 -8.170 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.854 -12.382 -6.523 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.403 -12.433 -8.216 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.965 -13.864 -6.399 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.135 -13.080 -7.728 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.550 -12.022 -4.883 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -1.052 -12.096 -5.790 1.00 0.00 H new ATOM 586 N VAL A 40 -4.739 -9.912 -5.107 1.00 0.00 N ATOM 587 CA VAL A 40 -5.630 -9.111 -4.284 1.00 0.00 C ATOM 588 C VAL A 40 -5.270 -7.658 -4.451 1.00 0.00 C ATOM 589 O VAL A 40 -6.161 -6.835 -4.611 1.00 0.00 O ATOM 590 CB VAL A 40 -5.506 -9.466 -2.794 1.00 0.00 C ATOM 591 CG1 VAL A 40 -6.150 -8.413 -1.880 1.00 0.00 C ATOM 592 CG2 VAL A 40 -6.146 -10.824 -2.600 1.00 0.00 C ATOM 0 H VAL A 40 -4.136 -10.536 -4.571 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.652 -9.311 -4.605 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.453 -9.488 -2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.033 -8.714 -0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.664 -7.450 -2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.211 -8.326 -2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.078 -11.112 -1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.194 -10.778 -2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.628 -11.561 -3.213 1.00 0.00 H new ATOM 602 N VAL A 41 -3.980 -7.342 -4.356 1.00 0.00 N ATOM 603 CA VAL A 41 -3.549 -5.964 -4.427 1.00 0.00 C ATOM 604 C VAL A 41 -4.048 -5.368 -5.752 1.00 0.00 C ATOM 605 O VAL A 41 -4.760 -4.363 -5.766 1.00 0.00 O ATOM 606 CB VAL A 41 -2.017 -5.873 -4.274 1.00 0.00 C ATOM 607 CG1 VAL A 41 -1.549 -4.417 -4.342 1.00 0.00 C ATOM 608 CG2 VAL A 41 -1.519 -6.459 -2.943 1.00 0.00 C ATOM 0 H VAL A 41 -3.228 -8.020 -4.231 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.974 -5.383 -3.608 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.603 -6.455 -5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.465 -4.378 -4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.832 -3.988 -5.304 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.016 -3.847 -3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.434 -6.369 -2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.970 -5.914 -2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.799 -7.511 -2.881 1.00 0.00 H new ATOM 618 N ASP A 42 -3.713 -6.019 -6.868 1.00 0.00 N ATOM 619 CA ASP A 42 -4.103 -5.577 -8.200 1.00 0.00 C ATOM 620 C ASP A 42 -5.622 -5.540 -8.338 1.00 0.00 C ATOM 621 O ASP A 42 -6.175 -4.546 -8.801 1.00 0.00 O ATOM 622 CB ASP A 42 -3.524 -6.501 -9.269 1.00 0.00 C ATOM 623 CG ASP A 42 -1.999 -6.574 -9.263 1.00 0.00 C ATOM 624 OD1 ASP A 42 -1.375 -5.523 -9.004 1.00 0.00 O ATOM 625 OD2 ASP A 42 -1.480 -7.678 -9.532 1.00 0.00 O ATOM 0 H ASP A 42 -3.158 -6.875 -6.868 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.707 -4.571 -8.341 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.927 -7.504 -9.126 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.858 -6.161 -10.249 1.00 0.00 H new ATOM 630 N GLU A 43 -6.304 -6.624 -7.958 1.00 0.00 N ATOM 631 CA GLU A 43 -7.757 -6.678 -8.026 1.00 0.00 C ATOM 632 C GLU A 43 -8.337 -5.495 -7.283 1.00 0.00 C ATOM 633 O GLU A 43 -9.183 -4.814 -7.832 1.00 0.00 O ATOM 634 CB GLU A 43 -8.311 -7.938 -7.366 1.00 0.00 C ATOM 635 CG GLU A 43 -9.833 -7.931 -7.129 1.00 0.00 C ATOM 636 CD GLU A 43 -10.688 -7.705 -8.378 1.00 0.00 C ATOM 637 OE1 GLU A 43 -10.150 -7.884 -9.491 1.00 0.00 O ATOM 638 OE2 GLU A 43 -11.879 -7.378 -8.191 1.00 0.00 O ATOM 0 H GLU A 43 -5.868 -7.474 -7.601 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.031 -6.671 -9.081 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.059 -8.797 -7.988 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.810 -8.079 -6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.119 -8.882 -6.680 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.067 -7.153 -6.403 1.00 0.00 H new ATOM 645 N ILE A 44 -7.940 -5.278 -6.031 1.00 0.00 N ATOM 646 CA ILE A 44 -8.434 -4.167 -5.222 1.00 0.00 C ATOM 647 C ILE A 44 -8.210 -2.862 -5.986 1.00 0.00 C ATOM 648 O ILE A 44 -9.094 -2.003 -6.049 1.00 0.00 O ATOM 649 CB ILE A 44 -7.746 -4.198 -3.848 1.00 0.00 C ATOM 650 CG1 ILE A 44 -8.349 -5.338 -3.007 1.00 0.00 C ATOM 651 CG2 ILE A 44 -7.892 -2.867 -3.118 1.00 0.00 C ATOM 652 CD1 ILE A 44 -9.629 -4.994 -2.244 1.00 0.00 C ATOM 0 H ILE A 44 -7.264 -5.870 -5.548 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.505 -4.251 -5.038 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.680 -4.372 -3.997 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.556 -6.181 -3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.599 -5.672 -2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.393 -2.926 -2.151 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.438 -2.074 -3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.949 -2.648 -2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.966 -5.868 -1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.431 -4.176 -1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -10.403 -4.693 -2.950 1.00 0.00 H new ATOM 664 N ALA A 45 -7.025 -2.721 -6.586 1.00 0.00 N ATOM 665 CA ALA A 45 -6.743 -1.594 -7.459 1.00 0.00 C ATOM 666 C ALA A 45 -7.844 -1.490 -8.513 1.00 0.00 C ATOM 667 O ALA A 45 -8.363 -0.411 -8.759 1.00 0.00 O ATOM 668 CB ALA A 45 -5.380 -1.775 -8.123 1.00 0.00 C ATOM 0 H ALA A 45 -6.250 -3.376 -6.479 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.718 -0.674 -6.875 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.177 -0.926 -8.775 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.607 -1.836 -7.357 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.381 -2.692 -8.712 1.00 0.00 H new ATOM 674 N GLY A 46 -8.204 -2.620 -9.124 1.00 0.00 N ATOM 675 CA GLY A 46 -9.293 -2.700 -10.081 1.00 0.00 C ATOM 676 C GLY A 46 -10.615 -2.256 -9.448 1.00 0.00 C ATOM 677 O GLY A 46 -11.209 -1.281 -9.908 1.00 0.00 O ATOM 0 H GLY A 46 -7.738 -3.513 -8.962 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.070 -2.072 -10.944 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.386 -3.723 -10.446 1.00 0.00 H new ATOM 681 N GLU A 47 -11.066 -2.952 -8.392 1.00 0.00 N ATOM 682 CA GLU A 47 -12.318 -2.703 -7.696 1.00 0.00 C ATOM 683 C GLU A 47 -12.616 -1.219 -7.531 1.00 0.00 C ATOM 684 O GLU A 47 -13.732 -0.788 -7.806 1.00 0.00 O ATOM 685 CB GLU A 47 -12.284 -3.333 -6.297 1.00 0.00 C ATOM 686 CG GLU A 47 -12.305 -4.865 -6.283 1.00 0.00 C ATOM 687 CD GLU A 47 -12.279 -5.415 -4.856 1.00 0.00 C ATOM 688 OE1 GLU A 47 -12.860 -4.748 -3.973 1.00 0.00 O ATOM 689 OE2 GLU A 47 -11.661 -6.484 -4.664 1.00 0.00 O ATOM 0 H GLU A 47 -10.542 -3.730 -7.992 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.099 -3.149 -8.311 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.387 -2.991 -5.781 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.138 -2.966 -5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.199 -5.222 -6.795 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.447 -5.246 -6.836 1.00 0.00 H new ATOM 696 N TYR A 48 -11.633 -0.458 -7.040 1.00 0.00 N ATOM 697 CA TYR A 48 -11.828 0.954 -6.723 1.00 0.00 C ATOM 698 C TYR A 48 -10.934 1.896 -7.547 1.00 0.00 C ATOM 699 O TYR A 48 -10.678 3.031 -7.124 1.00 0.00 O ATOM 700 CB TYR A 48 -11.610 1.143 -5.219 1.00 0.00 C ATOM 701 CG TYR A 48 -12.170 0.067 -4.301 1.00 0.00 C ATOM 702 CD1 TYR A 48 -13.506 0.145 -3.870 1.00 0.00 C ATOM 703 CD2 TYR A 48 -11.317 -0.901 -3.738 1.00 0.00 C ATOM 704 CE1 TYR A 48 -13.978 -0.714 -2.861 1.00 0.00 C ATOM 705 CE2 TYR A 48 -11.806 -1.794 -2.766 1.00 0.00 C ATOM 706 CZ TYR A 48 -13.138 -1.706 -2.332 1.00 0.00 C ATOM 707 OH TYR A 48 -13.570 -2.503 -1.315 1.00 0.00 O ATOM 0 H TYR A 48 -10.691 -0.802 -6.854 1.00 0.00 H new ATOM 0 HA TYR A 48 -12.847 1.229 -6.996 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.538 1.218 -5.039 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.050 2.098 -4.930 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.173 0.868 -4.316 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.285 -0.959 -4.052 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -14.988 -0.610 -2.493 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.154 -2.549 -2.353 1.00 0.00 H new ATOM 0 HH TYR A 48 -13.404 -3.442 -1.542 1.00 0.00 H new ATOM 717 N LYS A 49 -10.505 1.437 -8.731 1.00 0.00 N ATOM 718 CA LYS A 49 -9.610 2.136 -9.655 1.00 0.00 C ATOM 719 C LYS A 49 -9.932 3.623 -9.759 1.00 0.00 C ATOM 720 O LYS A 49 -9.037 4.464 -9.668 1.00 0.00 O ATOM 721 CB LYS A 49 -9.674 1.463 -11.040 1.00 0.00 C ATOM 722 CG LYS A 49 -11.077 1.458 -11.665 1.00 0.00 C ATOM 723 CD LYS A 49 -11.175 0.489 -12.847 1.00 0.00 C ATOM 724 CE LYS A 49 -12.507 0.677 -13.587 1.00 0.00 C ATOM 725 NZ LYS A 49 -13.666 0.607 -12.676 1.00 0.00 N ATOM 0 H LYS A 49 -10.788 0.523 -9.085 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.596 2.064 -9.261 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.988 1.976 -11.714 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.323 0.435 -10.950 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.810 1.181 -10.908 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.329 2.464 -11.999 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.344 0.657 -13.533 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.092 -0.538 -12.491 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.505 1.641 -14.096 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.605 -0.089 -14.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.543 0.552 -13.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.584 -0.237 -12.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.689 1.457 -12.078 1.00 0.00 H new ATOM 739 N ASP A 50 -11.222 3.915 -9.916 1.00 0.00 N ATOM 740 CA ASP A 50 -11.831 5.223 -10.069 1.00 0.00 C ATOM 741 C ASP A 50 -11.199 6.295 -9.180 1.00 0.00 C ATOM 742 O ASP A 50 -10.961 7.405 -9.648 1.00 0.00 O ATOM 743 CB ASP A 50 -13.327 5.070 -9.776 1.00 0.00 C ATOM 744 CG ASP A 50 -14.026 4.189 -10.809 1.00 0.00 C ATOM 745 OD1 ASP A 50 -13.712 2.977 -10.815 1.00 0.00 O ATOM 746 OD2 ASP A 50 -14.849 4.738 -11.571 1.00 0.00 O ATOM 0 H ASP A 50 -11.923 3.174 -9.941 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.664 5.572 -11.088 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.460 4.640 -8.783 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.796 6.054 -9.762 1.00 0.00 H new ATOM 751 N LYS A 51 -10.949 5.981 -7.904 1.00 0.00 N ATOM 752 CA LYS A 51 -10.327 6.930 -6.976 1.00 0.00 C ATOM 753 C LYS A 51 -9.316 6.274 -6.052 1.00 0.00 C ATOM 754 O LYS A 51 -8.143 6.643 -5.997 1.00 0.00 O ATOM 755 CB LYS A 51 -11.352 7.598 -6.024 1.00 0.00 C ATOM 756 CG LYS A 51 -12.601 8.203 -6.680 1.00 0.00 C ATOM 757 CD LYS A 51 -13.780 7.229 -6.827 1.00 0.00 C ATOM 758 CE LYS A 51 -14.304 6.678 -5.494 1.00 0.00 C ATOM 759 NZ LYS A 51 -15.593 5.988 -5.676 1.00 0.00 N ATOM 0 H LYS A 51 -11.169 5.075 -7.490 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.856 7.657 -7.637 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.675 6.855 -5.295 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.841 8.386 -5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.926 9.060 -6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.331 8.579 -7.667 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.595 7.736 -7.344 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.472 6.395 -7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.575 5.987 -5.070 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.422 7.494 -4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.925 5.625 -4.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.293 6.655 -6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.472 5.196 -6.339 1.00 0.00 H new ATOM 773 N LEU A 52 -9.809 5.259 -5.357 1.00 0.00 N ATOM 774 CA LEU A 52 -9.283 4.793 -4.096 1.00 0.00 C ATOM 775 C LEU A 52 -8.020 3.922 -4.219 1.00 0.00 C ATOM 776 O LEU A 52 -7.415 3.763 -5.275 1.00 0.00 O ATOM 777 CB LEU A 52 -10.523 4.188 -3.394 1.00 0.00 C ATOM 778 CG LEU A 52 -10.470 3.615 -1.979 1.00 0.00 C ATOM 779 CD1 LEU A 52 -9.972 4.654 -0.973 1.00 0.00 C ATOM 780 CD2 LEU A 52 -11.870 3.147 -1.565 1.00 0.00 C ATOM 0 H LEU A 52 -10.616 4.722 -5.674 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.855 5.580 -3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.287 4.966 -3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.888 3.389 -4.040 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.774 2.777 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.947 4.213 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.970 4.979 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.644 5.512 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.833 2.738 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.558 3.992 -1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.216 2.378 -2.256 1.00 0.00 H new ATOM 792 N LYS A 53 -7.686 3.321 -3.091 1.00 0.00 N ATOM 793 CA LYS A 53 -6.409 2.872 -2.624 1.00 0.00 C ATOM 794 C LYS A 53 -5.636 1.635 -3.072 1.00 0.00 C ATOM 795 O LYS A 53 -5.727 0.594 -2.441 1.00 0.00 O ATOM 796 CB LYS A 53 -6.700 2.672 -1.105 1.00 0.00 C ATOM 797 CG LYS A 53 -7.871 1.692 -0.838 1.00 0.00 C ATOM 798 CD LYS A 53 -7.540 0.452 -0.003 1.00 0.00 C ATOM 799 CE LYS A 53 -8.803 -0.355 0.338 1.00 0.00 C ATOM 800 NZ LYS A 53 -9.512 -0.811 -0.864 1.00 0.00 N ATOM 0 H LYS A 53 -8.407 3.115 -2.400 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.730 3.614 -3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.801 2.298 -0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.931 3.637 -0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.668 2.240 -0.336 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.267 1.362 -1.798 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.841 -0.180 -0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.042 0.755 0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.528 -1.218 0.945 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.472 0.259 0.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.859 -1.780 -0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.317 -0.180 -1.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.863 -0.796 -1.677 1.00 0.00 H new ATOM 814 N CYS A 54 -4.648 1.804 -3.954 1.00 0.00 N ATOM 815 CA CYS A 54 -3.723 0.710 -4.224 1.00 0.00 C ATOM 816 C CYS A 54 -2.415 1.185 -4.847 1.00 0.00 C ATOM 817 O CYS A 54 -2.451 1.906 -5.839 1.00 0.00 O ATOM 818 CB CYS A 54 -4.373 -0.275 -5.178 1.00 0.00 C ATOM 819 SG CYS A 54 -3.185 -1.605 -5.417 1.00 0.00 S ATOM 0 H CYS A 54 -4.473 2.662 -4.477 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.492 0.245 -3.265 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.307 -0.657 -4.766 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.616 0.205 -6.126 1.00 0.00 H new ATOM 0 HG CYS A 54 -3.817 -2.735 -5.537 1.00 0.00 H new ATOM 825 N VAL A 55 -1.275 0.794 -4.267 1.00 0.00 N ATOM 826 CA VAL A 55 0.044 1.005 -4.845 1.00 0.00 C ATOM 827 C VAL A 55 1.001 -0.062 -4.310 1.00 0.00 C ATOM 828 O VAL A 55 0.673 -0.780 -3.365 1.00 0.00 O ATOM 829 CB VAL A 55 0.577 2.427 -4.573 1.00 0.00 C ATOM 830 CG1 VAL A 55 0.745 3.139 -5.914 1.00 0.00 C ATOM 831 CG2 VAL A 55 -0.270 3.302 -3.640 1.00 0.00 C ATOM 0 H VAL A 55 -1.250 0.314 -3.367 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.032 0.912 -5.928 1.00 0.00 H new ATOM 0 HB VAL A 55 1.518 2.290 -4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.122 4.148 -5.746 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.452 2.587 -6.533 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.218 3.191 -6.421 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.205 4.276 -3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.265 3.431 -4.066 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.352 2.821 -2.665 1.00 0.00 H new ATOM 841 N LYS A 56 2.185 -0.175 -4.917 1.00 0.00 N ATOM 842 CA LYS A 56 3.178 -1.173 -4.553 1.00 0.00 C ATOM 843 C LYS A 56 4.573 -0.546 -4.503 1.00 0.00 C ATOM 844 O LYS A 56 5.138 -0.203 -5.541 1.00 0.00 O ATOM 845 CB LYS A 56 3.097 -2.312 -5.578 1.00 0.00 C ATOM 846 CG LYS A 56 2.534 -3.572 -4.910 1.00 0.00 C ATOM 847 CD LYS A 56 2.439 -4.761 -5.871 1.00 0.00 C ATOM 848 CE LYS A 56 1.373 -4.527 -6.945 1.00 0.00 C ATOM 849 NZ LYS A 56 1.129 -5.750 -7.728 1.00 0.00 N ATOM 0 H LYS A 56 2.478 0.433 -5.682 1.00 0.00 H new ATOM 0 HA LYS A 56 2.980 -1.571 -3.558 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.462 -2.017 -6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.086 -2.517 -5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.167 -3.843 -4.065 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.544 -3.354 -4.510 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.406 -4.925 -6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.201 -5.665 -5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.445 -4.202 -6.475 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.692 -3.724 -7.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.245 -5.647 -8.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.919 -5.904 -8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.051 -6.564 -7.085 1.00 0.00 H new ATOM 863 N LEU A 57 5.137 -0.395 -3.303 1.00 0.00 N ATOM 864 CA LEU A 57 6.460 0.184 -3.116 1.00 0.00 C ATOM 865 C LEU A 57 7.506 -0.919 -3.075 1.00 0.00 C ATOM 866 O LEU A 57 7.483 -1.784 -2.202 1.00 0.00 O ATOM 867 CB LEU A 57 6.495 1.024 -1.838 1.00 0.00 C ATOM 868 CG LEU A 57 7.848 1.730 -1.644 1.00 0.00 C ATOM 869 CD1 LEU A 57 7.776 3.187 -2.108 1.00 0.00 C ATOM 870 CD2 LEU A 57 8.217 1.669 -0.166 1.00 0.00 C ATOM 0 H LEU A 57 4.683 -0.673 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 57 6.686 0.841 -3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.700 1.769 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.295 0.384 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 57 8.607 1.228 -2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.745 3.664 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.513 3.220 -3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.019 3.716 -1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.175 2.165 -0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.448 2.170 0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.292 0.628 0.148 1.00 0.00 H new ATOM 882 N ASN A 58 8.442 -0.896 -4.030 1.00 0.00 N ATOM 883 CA ASN A 58 9.535 -1.856 -4.014 1.00 0.00 C ATOM 884 C ASN A 58 10.481 -1.467 -2.879 1.00 0.00 C ATOM 885 O ASN A 58 11.153 -0.442 -2.939 1.00 0.00 O ATOM 886 CB ASN A 58 10.249 -1.919 -5.363 1.00 0.00 C ATOM 887 CG ASN A 58 11.332 -2.996 -5.324 1.00 0.00 C ATOM 888 OD1 ASN A 58 12.220 -2.965 -4.478 1.00 0.00 O ATOM 889 ND2 ASN A 58 11.262 -3.978 -6.214 1.00 0.00 N ATOM 0 H ASN A 58 8.461 -0.235 -4.806 1.00 0.00 H new ATOM 0 HA ASN A 58 9.149 -2.861 -3.840 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.532 -2.139 -6.154 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.693 -0.951 -5.595 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.955 -4.726 -6.203 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.515 -3.984 -6.909 1.00 0.00 H new ATOM 896 N THR A 59 10.531 -2.304 -1.849 1.00 0.00 N ATOM 897 CA THR A 59 11.257 -2.052 -0.614 1.00 0.00 C ATOM 898 C THR A 59 12.770 -2.052 -0.845 1.00 0.00 C ATOM 899 O THR A 59 13.498 -1.296 -0.210 1.00 0.00 O ATOM 900 CB THR A 59 10.832 -3.117 0.410 1.00 0.00 C ATOM 901 OG1 THR A 59 9.420 -3.199 0.450 1.00 0.00 O ATOM 902 CG2 THR A 59 11.313 -2.777 1.820 1.00 0.00 C ATOM 0 H THR A 59 10.052 -3.204 -1.853 1.00 0.00 H new ATOM 0 HA THR A 59 11.013 -1.061 -0.232 1.00 0.00 H new ATOM 0 HB THR A 59 11.279 -4.060 0.097 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.106 -3.789 -0.267 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.991 -3.555 2.512 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.401 -2.712 1.828 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.890 -1.821 2.128 1.00 0.00 H new ATOM 910 N ASP A 60 13.238 -2.885 -1.776 1.00 0.00 N ATOM 911 CA ASP A 60 14.646 -3.026 -2.126 1.00 0.00 C ATOM 912 C ASP A 60 15.132 -1.739 -2.801 1.00 0.00 C ATOM 913 O ASP A 60 16.246 -1.272 -2.582 1.00 0.00 O ATOM 914 CB ASP A 60 14.772 -4.243 -3.051 1.00 0.00 C ATOM 915 CG ASP A 60 16.143 -4.903 -2.975 1.00 0.00 C ATOM 916 OD1 ASP A 60 17.145 -4.213 -3.258 1.00 0.00 O ATOM 917 OD2 ASP A 60 16.151 -6.105 -2.623 1.00 0.00 O ATOM 0 H ASP A 60 12.629 -3.495 -2.320 1.00 0.00 H new ATOM 0 HA ASP A 60 15.268 -3.183 -1.245 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.007 -4.974 -2.789 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.579 -3.934 -4.078 1.00 0.00 H new ATOM 922 N GLU A 61 14.240 -1.158 -3.609 1.00 0.00 N ATOM 923 CA GLU A 61 14.433 0.100 -4.316 1.00 0.00 C ATOM 924 C GLU A 61 14.200 1.296 -3.397 1.00 0.00 C ATOM 925 O GLU A 61 14.700 2.384 -3.673 1.00 0.00 O ATOM 926 CB GLU A 61 13.409 0.186 -5.449 1.00 0.00 C ATOM 927 CG GLU A 61 13.900 0.960 -6.675 1.00 0.00 C ATOM 928 CD GLU A 61 14.939 0.175 -7.470 1.00 0.00 C ATOM 929 OE1 GLU A 61 14.530 -0.823 -8.102 1.00 0.00 O ATOM 930 OE2 GLU A 61 16.120 0.583 -7.428 1.00 0.00 O ATOM 0 H GLU A 61 13.327 -1.574 -3.792 1.00 0.00 H new ATOM 0 HA GLU A 61 15.457 0.126 -4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 61 13.136 -0.824 -5.755 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.503 0.661 -5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.052 1.194 -7.319 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.330 1.910 -6.356 1.00 0.00 H new ATOM 937 N SER A 62 13.357 1.115 -2.378 1.00 0.00 N ATOM 938 CA SER A 62 12.941 2.139 -1.426 1.00 0.00 C ATOM 939 C SER A 62 13.313 1.825 0.034 1.00 0.00 C ATOM 940 O SER A 62 12.465 1.949 0.923 1.00 0.00 O ATOM 941 CB SER A 62 11.429 2.300 -1.534 1.00 0.00 C ATOM 942 OG SER A 62 11.001 2.272 -2.879 1.00 0.00 O ATOM 0 H SER A 62 12.928 0.209 -2.188 1.00 0.00 H new ATOM 0 HA SER A 62 13.473 3.055 -1.684 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.936 1.503 -0.978 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.128 3.242 -1.075 1.00 0.00 H new ATOM 0 HG SER A 62 10.961 1.344 -3.190 1.00 0.00 H new ATOM 948 N PRO A 63 14.581 1.488 0.306 1.00 0.00 N ATOM 949 CA PRO A 63 15.098 1.255 1.644 1.00 0.00 C ATOM 950 C PRO A 63 14.920 2.524 2.454 1.00 0.00 C ATOM 951 O PRO A 63 14.638 2.501 3.644 1.00 0.00 O ATOM 952 CB PRO A 63 16.576 0.937 1.453 1.00 0.00 C ATOM 953 CG PRO A 63 16.963 1.584 0.128 1.00 0.00 C ATOM 954 CD PRO A 63 15.657 1.498 -0.660 1.00 0.00 C ATOM 0 HA PRO A 63 14.589 0.447 2.169 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.173 1.336 2.274 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.746 -0.139 1.429 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.294 2.614 0.258 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.774 1.049 -0.366 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.559 2.346 -1.338 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.634 0.596 -1.272 1.00 0.00 H new ATOM 962 N ASN A 64 15.102 3.629 1.743 1.00 0.00 N ATOM 963 CA ASN A 64 14.915 4.997 2.208 1.00 0.00 C ATOM 964 C ASN A 64 13.615 5.103 3.007 1.00 0.00 C ATOM 965 O ASN A 64 13.630 5.206 4.233 1.00 0.00 O ATOM 966 CB ASN A 64 14.875 5.940 0.995 1.00 0.00 C ATOM 967 CG ASN A 64 16.263 6.258 0.439 1.00 0.00 C ATOM 968 OD1 ASN A 64 17.253 5.645 0.823 1.00 0.00 O ATOM 969 ND2 ASN A 64 16.359 7.198 -0.495 1.00 0.00 N ATOM 0 H ASN A 64 15.402 3.592 0.769 1.00 0.00 H new ATOM 0 HA ASN A 64 15.743 5.281 2.857 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.270 5.487 0.209 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.382 6.869 1.281 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.267 7.419 -0.904 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.525 7.698 -0.803 1.00 0.00 H new ATOM 976 N VAL A 65 12.488 5.039 2.298 1.00 0.00 N ATOM 977 CA VAL A 65 11.150 5.113 2.865 1.00 0.00 C ATOM 978 C VAL A 65 11.014 4.101 3.998 1.00 0.00 C ATOM 979 O VAL A 65 10.565 4.419 5.099 1.00 0.00 O ATOM 980 CB VAL A 65 10.126 4.811 1.761 1.00 0.00 C ATOM 981 CG1 VAL A 65 8.702 4.862 2.314 1.00 0.00 C ATOM 982 CG2 VAL A 65 10.258 5.805 0.604 1.00 0.00 C ATOM 0 H VAL A 65 12.486 4.931 1.284 1.00 0.00 H new ATOM 0 HA VAL A 65 10.971 6.111 3.266 1.00 0.00 H new ATOM 0 HB VAL A 65 10.330 3.807 1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.993 4.645 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.593 4.122 3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.503 5.856 2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.522 5.569 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.087 6.817 0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.260 5.738 0.179 1.00 0.00 H new ATOM 992 N ALA A 66 11.402 2.865 3.691 1.00 0.00 N ATOM 993 CA ALA A 66 11.327 1.756 4.632 1.00 0.00 C ATOM 994 C ALA A 66 12.010 2.106 5.961 1.00 0.00 C ATOM 995 O ALA A 66 11.481 1.783 7.022 1.00 0.00 O ATOM 996 CB ALA A 66 11.937 0.500 4.007 1.00 0.00 C ATOM 0 H ALA A 66 11.778 2.606 2.779 1.00 0.00 H new ATOM 0 HA ALA A 66 10.278 1.559 4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.877 -0.325 4.717 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.388 0.241 3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.981 0.688 3.757 1.00 0.00 H new ATOM 1002 N SER A 67 13.161 2.781 5.908 1.00 0.00 N ATOM 1003 CA SER A 67 13.920 3.198 7.079 1.00 0.00 C ATOM 1004 C SER A 67 13.262 4.402 7.749 1.00 0.00 C ATOM 1005 O SER A 67 13.204 4.466 8.973 1.00 0.00 O ATOM 1006 CB SER A 67 15.360 3.530 6.677 1.00 0.00 C ATOM 1007 OG SER A 67 15.956 2.413 6.050 1.00 0.00 O ATOM 0 H SER A 67 13.597 3.057 5.028 1.00 0.00 H new ATOM 0 HA SER A 67 13.933 2.377 7.796 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.370 4.385 6.001 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.936 3.813 7.558 1.00 0.00 H new ATOM 0 HG SER A 67 15.546 2.274 5.171 1.00 0.00 H new ATOM 1013 N GLU A 68 12.779 5.357 6.950 1.00 0.00 N ATOM 1014 CA GLU A 68 12.096 6.546 7.450 1.00 0.00 C ATOM 1015 C GLU A 68 10.907 6.132 8.321 1.00 0.00 C ATOM 1016 O GLU A 68 10.714 6.683 9.401 1.00 0.00 O ATOM 1017 CB GLU A 68 11.638 7.420 6.276 1.00 0.00 C ATOM 1018 CG GLU A 68 12.828 8.072 5.557 1.00 0.00 C ATOM 1019 CD GLU A 68 12.457 8.525 4.148 1.00 0.00 C ATOM 1020 OE1 GLU A 68 11.339 9.065 3.999 1.00 0.00 O ATOM 1021 OE2 GLU A 68 13.294 8.314 3.245 1.00 0.00 O ATOM 0 H GLU A 68 12.853 5.324 5.933 1.00 0.00 H new ATOM 0 HA GLU A 68 12.784 7.130 8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.073 6.813 5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.964 8.195 6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.177 8.928 6.134 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.655 7.363 5.506 1.00 0.00 H new ATOM 1028 N TYR A 69 10.117 5.160 7.854 1.00 0.00 N ATOM 1029 CA TYR A 69 9.000 4.639 8.636 1.00 0.00 C ATOM 1030 C TYR A 69 9.528 3.656 9.688 1.00 0.00 C ATOM 1031 O TYR A 69 9.000 3.596 10.795 1.00 0.00 O ATOM 1032 CB TYR A 69 7.960 4.010 7.702 1.00 0.00 C ATOM 1033 CG TYR A 69 7.028 5.055 7.113 1.00 0.00 C ATOM 1034 CD1 TYR A 69 7.368 5.711 5.915 1.00 0.00 C ATOM 1035 CD2 TYR A 69 5.988 5.570 7.913 1.00 0.00 C ATOM 1036 CE1 TYR A 69 6.703 6.894 5.543 1.00 0.00 C ATOM 1037 CE2 TYR A 69 5.333 6.760 7.548 1.00 0.00 C ATOM 1038 CZ TYR A 69 5.714 7.437 6.378 1.00 0.00 C ATOM 1039 OH TYR A 69 5.173 8.651 6.081 1.00 0.00 O ATOM 0 H TYR A 69 10.233 4.721 6.940 1.00 0.00 H new ATOM 0 HA TYR A 69 8.499 5.446 9.170 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.468 3.480 6.896 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.377 3.271 8.252 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.141 5.305 5.280 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.692 5.048 8.811 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.954 7.385 4.614 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.539 7.152 8.166 1.00 0.00 H new ATOM 0 HH TYR A 69 4.502 8.884 6.756 1.00 0.00 H new ATOM 1049 N GLY A 70 10.571 2.896 9.349 1.00 0.00 N ATOM 1050 CA GLY A 70 11.273 2.008 10.263 1.00 0.00 C ATOM 1051 C GLY A 70 10.684 0.604 10.280 1.00 0.00 C ATOM 1052 O GLY A 70 10.400 0.067 11.349 1.00 0.00 O ATOM 0 H GLY A 70 10.957 2.885 8.405 1.00 0.00 H new ATOM 0 HA2 GLY A 70 12.323 1.954 9.977 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.237 2.426 11.269 1.00 0.00 H new ATOM 1056 N ILE A 71 10.505 0.004 9.101 1.00 0.00 N ATOM 1057 CA ILE A 71 9.984 -1.344 8.965 1.00 0.00 C ATOM 1058 C ILE A 71 11.134 -2.330 8.725 1.00 0.00 C ATOM 1059 O ILE A 71 12.306 -1.979 8.854 1.00 0.00 O ATOM 1060 CB ILE A 71 8.945 -1.358 7.833 1.00 0.00 C ATOM 1061 CG1 ILE A 71 9.567 -1.108 6.450 1.00 0.00 C ATOM 1062 CG2 ILE A 71 7.858 -0.315 8.126 1.00 0.00 C ATOM 1063 CD1 ILE A 71 8.632 -1.542 5.321 1.00 0.00 C ATOM 0 H ILE A 71 10.722 0.451 8.210 1.00 0.00 H new ATOM 0 HA ILE A 71 9.488 -1.661 9.882 1.00 0.00 H new ATOM 0 HB ILE A 71 8.508 -2.356 7.800 1.00 0.00 H new ATOM 0 HG12 ILE A 71 9.800 -0.049 6.342 1.00 0.00 H new ATOM 0 HG13 ILE A 71 10.509 -1.651 6.371 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.120 -0.323 7.324 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.370 -0.554 9.071 1.00 0.00 H new ATOM 0 HG23 ILE A 71 8.311 0.674 8.192 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.108 -1.349 4.360 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.420 -2.607 5.413 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.700 -0.980 5.384 1.00 0.00 H new ATOM 1075 N ARG A 72 10.799 -3.572 8.360 1.00 0.00 N ATOM 1076 CA ARG A 72 11.771 -4.610 8.052 1.00 0.00 C ATOM 1077 C ARG A 72 11.101 -5.684 7.192 1.00 0.00 C ATOM 1078 O ARG A 72 11.205 -5.642 5.969 1.00 0.00 O ATOM 1079 CB ARG A 72 12.394 -5.173 9.343 1.00 0.00 C ATOM 1080 CG ARG A 72 11.455 -5.183 10.565 1.00 0.00 C ATOM 1081 CD ARG A 72 11.911 -6.241 11.574 1.00 0.00 C ATOM 1082 NE ARG A 72 11.707 -7.588 11.024 1.00 0.00 N ATOM 1083 CZ ARG A 72 12.480 -8.662 11.225 1.00 0.00 C ATOM 1084 NH1 ARG A 72 13.472 -8.648 12.121 1.00 0.00 N ATOM 1085 NH2 ARG A 72 12.230 -9.755 10.500 1.00 0.00 N ATOM 0 H ARG A 72 9.831 -3.882 8.271 1.00 0.00 H new ATOM 0 HA ARG A 72 12.598 -4.193 7.477 1.00 0.00 H new ATOM 0 HB2 ARG A 72 12.730 -6.192 9.153 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.279 -4.586 9.588 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.449 -4.200 11.036 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.434 -5.390 10.246 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.964 -6.094 11.815 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.353 -6.132 12.504 1.00 0.00 H new ATOM 0 HE ARG A 72 10.891 -7.718 10.426 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.653 -7.807 12.669 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.048 -9.479 12.257 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.470 -9.753 9.820 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.799 -10.592 10.627 1.00 0.00 H new ATOM 1099 N SER A 73 10.423 -6.648 7.820 1.00 0.00 N ATOM 1100 CA SER A 73 9.726 -7.705 7.112 1.00 0.00 C ATOM 1101 C SER A 73 8.697 -7.111 6.148 1.00 0.00 C ATOM 1102 O SER A 73 8.174 -6.017 6.371 1.00 0.00 O ATOM 1103 CB SER A 73 9.017 -8.610 8.123 1.00 0.00 C ATOM 1104 OG SER A 73 9.848 -8.851 9.247 1.00 0.00 O ATOM 0 H SER A 73 10.347 -6.711 8.835 1.00 0.00 H new ATOM 0 HA SER A 73 10.449 -8.286 6.540 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.086 -8.144 8.446 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.753 -9.556 7.650 1.00 0.00 H new ATOM 0 HG SER A 73 9.378 -9.430 9.883 1.00 0.00 H new ATOM 1110 N ILE A 74 8.387 -7.859 5.092 1.00 0.00 N ATOM 1111 CA ILE A 74 7.405 -7.488 4.094 1.00 0.00 C ATOM 1112 C ILE A 74 6.651 -8.770 3.728 1.00 0.00 C ATOM 1113 O ILE A 74 7.210 -9.854 3.911 1.00 0.00 O ATOM 1114 CB ILE A 74 8.078 -6.806 2.887 1.00 0.00 C ATOM 1115 CG1 ILE A 74 9.274 -7.587 2.331 1.00 0.00 C ATOM 1116 CG2 ILE A 74 8.498 -5.380 3.275 1.00 0.00 C ATOM 1117 CD1 ILE A 74 9.674 -6.997 0.975 1.00 0.00 C ATOM 0 H ILE A 74 8.826 -8.761 4.908 1.00 0.00 H new ATOM 0 HA ILE A 74 6.698 -6.749 4.472 1.00 0.00 H new ATOM 0 HB ILE A 74 7.342 -6.777 2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.112 -7.535 3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 74 9.016 -8.640 2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.974 -4.896 2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.618 -4.809 3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.200 -5.421 4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.525 -7.549 0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.835 -7.072 0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.948 -5.949 1.101 1.00 0.00 H new ATOM 1129 N PRO A 75 5.402 -8.704 3.237 1.00 0.00 N ATOM 1130 CA PRO A 75 4.636 -7.505 2.944 1.00 0.00 C ATOM 1131 C PRO A 75 4.292 -6.704 4.190 1.00 0.00 C ATOM 1132 O PRO A 75 3.994 -7.262 5.246 1.00 0.00 O ATOM 1133 CB PRO A 75 3.346 -7.960 2.265 1.00 0.00 C ATOM 1134 CG PRO A 75 3.185 -9.406 2.729 1.00 0.00 C ATOM 1135 CD PRO A 75 4.617 -9.887 2.953 1.00 0.00 C ATOM 0 HA PRO A 75 5.233 -6.849 2.310 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.497 -7.346 2.565 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.419 -7.893 1.180 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.596 -9.468 3.644 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.674 -10.011 1.980 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.665 -10.594 3.781 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.996 -10.403 2.071 1.00 0.00 H new ATOM 1143 N THR A 76 4.388 -5.389 4.030 1.00 0.00 N ATOM 1144 CA THR A 76 3.986 -4.391 5.001 1.00 0.00 C ATOM 1145 C THR A 76 3.077 -3.476 4.186 1.00 0.00 C ATOM 1146 O THR A 76 3.531 -2.740 3.311 1.00 0.00 O ATOM 1147 CB THR A 76 5.196 -3.708 5.660 1.00 0.00 C ATOM 1148 OG1 THR A 76 5.807 -4.605 6.572 1.00 0.00 O ATOM 1149 CG2 THR A 76 4.745 -2.484 6.460 1.00 0.00 C ATOM 0 H THR A 76 4.767 -4.975 3.178 1.00 0.00 H new ATOM 0 HA THR A 76 3.461 -4.789 5.870 1.00 0.00 H new ATOM 0 HB THR A 76 5.890 -3.413 4.873 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.655 -4.925 6.198 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.612 -2.011 6.921 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.255 -1.774 5.794 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.046 -2.794 7.236 1.00 0.00 H new ATOM 1157 N ILE A 77 1.775 -3.611 4.421 1.00 0.00 N ATOM 1158 CA ILE A 77 0.713 -2.965 3.681 1.00 0.00 C ATOM 1159 C ILE A 77 0.213 -1.783 4.499 1.00 0.00 C ATOM 1160 O ILE A 77 -0.527 -1.968 5.466 1.00 0.00 O ATOM 1161 CB ILE A 77 -0.405 -3.993 3.412 1.00 0.00 C ATOM 1162 CG1 ILE A 77 0.133 -5.343 2.900 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -1.373 -3.392 2.391 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -0.980 -6.388 2.785 1.00 0.00 C ATOM 0 H ILE A 77 1.422 -4.205 5.171 1.00 0.00 H new ATOM 0 HA ILE A 77 1.065 -2.595 2.718 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.909 -4.202 4.355 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.602 -5.202 1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.906 -5.707 3.577 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.173 -4.103 2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.799 -2.472 2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.837 -3.172 1.468 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.562 -7.326 2.421 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.432 -6.548 3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.740 -6.035 2.088 1.00 0.00 H new ATOM 1176 N MET A 78 0.615 -0.566 4.129 1.00 0.00 N ATOM 1177 CA MET A 78 0.179 0.619 4.847 1.00 0.00 C ATOM 1178 C MET A 78 -0.918 1.326 4.072 1.00 0.00 C ATOM 1179 O MET A 78 -0.946 1.271 2.842 1.00 0.00 O ATOM 1180 CB MET A 78 1.330 1.603 5.039 1.00 0.00 C ATOM 1181 CG MET A 78 2.607 1.017 5.640 1.00 0.00 C ATOM 1182 SD MET A 78 3.873 2.279 5.926 1.00 0.00 S ATOM 1183 CE MET A 78 5.244 1.230 6.432 1.00 0.00 C ATOM 0 H MET A 78 1.237 -0.382 3.342 1.00 0.00 H new ATOM 0 HA MET A 78 -0.188 0.293 5.820 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.574 2.043 4.072 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.987 2.415 5.681 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.369 0.524 6.582 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.003 0.253 4.971 1.00 0.00 H new ATOM 0 HE1 MET A 78 6.115 1.849 6.649 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.964 0.671 7.325 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.485 0.533 5.629 1.00 0.00 H new ATOM 1193 N VAL A 79 -1.788 2.023 4.802 1.00 0.00 N ATOM 1194 CA VAL A 79 -2.786 2.892 4.202 1.00 0.00 C ATOM 1195 C VAL A 79 -2.407 4.312 4.587 1.00 0.00 C ATOM 1196 O VAL A 79 -2.129 4.606 5.754 1.00 0.00 O ATOM 1197 CB VAL A 79 -4.248 2.537 4.565 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -4.941 3.524 5.518 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -5.105 2.556 3.292 1.00 0.00 C ATOM 0 H VAL A 79 -1.817 1.998 5.821 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.776 2.763 3.120 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.177 1.565 5.053 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.960 3.188 5.711 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.390 3.571 6.457 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.965 4.514 5.062 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.136 2.306 3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.071 3.550 2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.718 1.825 2.582 1.00 0.00 H new ATOM 1209 N PHE A 80 -2.364 5.168 3.573 1.00 0.00 N ATOM 1210 CA PHE A 80 -2.122 6.586 3.701 1.00 0.00 C ATOM 1211 C PHE A 80 -3.336 7.271 3.100 1.00 0.00 C ATOM 1212 O PHE A 80 -3.950 6.704 2.202 1.00 0.00 O ATOM 1213 CB PHE A 80 -0.868 6.987 2.922 1.00 0.00 C ATOM 1214 CG PHE A 80 0.462 6.555 3.515 1.00 0.00 C ATOM 1215 CD1 PHE A 80 0.866 5.209 3.469 1.00 0.00 C ATOM 1216 CD2 PHE A 80 1.384 7.538 3.916 1.00 0.00 C ATOM 1217 CE1 PHE A 80 2.196 4.865 3.774 1.00 0.00 C ATOM 1218 CE2 PHE A 80 2.708 7.193 4.223 1.00 0.00 C ATOM 1219 CZ PHE A 80 3.108 5.848 4.185 1.00 0.00 C ATOM 0 H PHE A 80 -2.503 4.875 2.606 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.967 6.867 4.743 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.944 6.574 1.916 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.861 8.072 2.821 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.157 4.440 3.200 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.069 8.569 3.988 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.517 3.837 3.691 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.419 7.961 4.488 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.112 5.572 4.471 1.00 0.00 H new ATOM 1229 N LYS A 81 -3.702 8.445 3.605 1.00 0.00 N ATOM 1230 CA LYS A 81 -4.784 9.275 3.090 1.00 0.00 C ATOM 1231 C LYS A 81 -4.575 10.639 3.712 1.00 0.00 C ATOM 1232 O LYS A 81 -3.971 10.724 4.781 1.00 0.00 O ATOM 1233 CB LYS A 81 -6.183 8.717 3.398 1.00 0.00 C ATOM 1234 CG LYS A 81 -6.693 8.877 4.832 1.00 0.00 C ATOM 1235 CD LYS A 81 -5.765 8.155 5.808 1.00 0.00 C ATOM 1236 CE LYS A 81 -6.520 7.755 7.073 1.00 0.00 C ATOM 1237 NZ LYS A 81 -7.106 8.918 7.762 1.00 0.00 N ATOM 0 H LYS A 81 -3.236 8.859 4.413 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.751 9.310 2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.895 9.200 2.729 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.186 7.655 3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.750 9.935 5.089 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.702 8.474 4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.347 7.268 5.332 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.927 8.802 6.068 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.311 7.051 6.815 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.841 7.237 7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.506 8.616 8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.368 9.632 7.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.859 9.328 7.173 1.00 0.00 H new ATOM 1251 N GLY A 82 -5.041 11.711 3.070 1.00 0.00 N ATOM 1252 CA GLY A 82 -4.724 13.021 3.609 1.00 0.00 C ATOM 1253 C GLY A 82 -3.197 13.157 3.669 1.00 0.00 C ATOM 1254 O GLY A 82 -2.641 13.704 4.621 1.00 0.00 O ATOM 0 H GLY A 82 -5.608 11.699 2.222 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.151 13.804 2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.156 13.138 4.603 1.00 0.00 H new ATOM 1258 N GLY A 83 -2.516 12.583 2.673 1.00 0.00 N ATOM 1259 CA GLY A 83 -1.073 12.512 2.570 1.00 0.00 C ATOM 1260 C GLY A 83 -0.427 11.538 3.554 1.00 0.00 C ATOM 1261 O GLY A 83 0.335 10.665 3.151 1.00 0.00 O ATOM 0 H GLY A 83 -2.986 12.137 1.885 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.805 12.218 1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.658 13.507 2.734 1.00 0.00 H new ATOM 1265 N LYS A 84 -0.720 11.671 4.847 1.00 0.00 N ATOM 1266 CA LYS A 84 -0.055 10.902 5.893 1.00 0.00 C ATOM 1267 C LYS A 84 -0.582 9.469 6.043 1.00 0.00 C ATOM 1268 O LYS A 84 -1.623 9.097 5.503 1.00 0.00 O ATOM 1269 CB LYS A 84 -0.168 11.658 7.222 1.00 0.00 C ATOM 1270 CG LYS A 84 0.532 13.021 7.130 1.00 0.00 C ATOM 1271 CD LYS A 84 0.863 13.577 8.521 1.00 0.00 C ATOM 1272 CE LYS A 84 -0.406 13.874 9.329 1.00 0.00 C ATOM 1273 NZ LYS A 84 -0.083 14.490 10.627 1.00 0.00 N ATOM 0 H LYS A 84 -1.427 12.317 5.197 1.00 0.00 H new ATOM 0 HA LYS A 84 0.989 10.799 5.597 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.218 11.799 7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.279 11.067 8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.449 12.922 6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.108 13.725 6.598 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.480 12.860 9.062 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.451 14.489 8.418 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.055 14.540 8.760 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.961 12.950 9.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.962 14.679 11.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.516 13.843 11.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.425 15.384 10.470 1.00 0.00 H new ATOM 1287 N LYS A 85 0.204 8.671 6.776 1.00 0.00 N ATOM 1288 CA LYS A 85 -0.004 7.259 7.068 1.00 0.00 C ATOM 1289 C LYS A 85 -0.998 7.082 8.214 1.00 0.00 C ATOM 1290 O LYS A 85 -1.080 7.933 9.098 1.00 0.00 O ATOM 1291 CB LYS A 85 1.344 6.653 7.500 1.00 0.00 C ATOM 1292 CG LYS A 85 1.383 5.116 7.436 1.00 0.00 C ATOM 1293 CD LYS A 85 2.286 4.509 8.520 1.00 0.00 C ATOM 1294 CE LYS A 85 1.518 4.140 9.796 1.00 0.00 C ATOM 1295 NZ LYS A 85 0.919 5.308 10.462 1.00 0.00 N ATOM 0 H LYS A 85 1.058 9.025 7.207 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.397 6.767 6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.133 7.054 6.863 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.565 6.971 8.519 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.372 4.724 7.548 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.739 4.805 6.454 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.773 3.618 8.124 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.075 5.219 8.769 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.732 3.427 9.547 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.194 3.640 10.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.778 5.098 11.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.553 6.126 10.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.002 5.526 10.022 1.00 0.00 H new ATOM 1309 N CYS A 86 -1.702 5.948 8.237 1.00 0.00 N ATOM 1310 CA CYS A 86 -2.574 5.566 9.340 1.00 0.00 C ATOM 1311 C CYS A 86 -2.383 4.076 9.610 1.00 0.00 C ATOM 1312 O CYS A 86 -1.633 3.700 10.509 1.00 0.00 O ATOM 1313 CB CYS A 86 -4.015 5.929 9.001 1.00 0.00 C ATOM 1314 SG CYS A 86 -5.129 5.227 10.240 1.00 0.00 S ATOM 0 H CYS A 86 -1.679 5.265 7.480 1.00 0.00 H new ATOM 0 HA CYS A 86 -2.322 6.107 10.252 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.129 7.013 8.968 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.272 5.551 8.011 1.00 0.00 H new ATOM 0 HG CYS A 86 -6.324 5.711 10.073 1.00 0.00 H new ATOM 1320 N GLU A 87 -3.025 3.223 8.814 1.00 0.00 N ATOM 1321 CA GLU A 87 -2.894 1.785 8.946 1.00 0.00 C ATOM 1322 C GLU A 87 -1.517 1.331 8.466 1.00 0.00 C ATOM 1323 O GLU A 87 -0.938 1.928 7.559 1.00 0.00 O ATOM 1324 CB GLU A 87 -4.002 1.090 8.157 1.00 0.00 C ATOM 1325 CG GLU A 87 -5.389 1.436 8.711 1.00 0.00 C ATOM 1326 CD GLU A 87 -5.567 0.840 10.106 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -5.789 -0.386 10.174 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -5.483 1.616 11.082 1.00 0.00 O ATOM 0 H GLU A 87 -3.649 3.515 8.062 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.992 1.512 9.997 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.944 1.385 7.109 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.854 0.011 8.193 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.512 2.518 8.752 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.161 1.053 8.043 1.00 0.00 H new ATOM 1335 N THR A 88 -1.027 0.250 9.073 1.00 0.00 N ATOM 1336 CA THR A 88 0.251 -0.388 8.796 1.00 0.00 C ATOM 1337 C THR A 88 0.070 -1.879 9.084 1.00 0.00 C ATOM 1338 O THR A 88 0.492 -2.371 10.130 1.00 0.00 O ATOM 1339 CB THR A 88 1.373 0.286 9.613 1.00 0.00 C ATOM 1340 OG1 THR A 88 2.516 -0.544 9.653 1.00 0.00 O ATOM 1341 CG2 THR A 88 0.971 0.613 11.059 1.00 0.00 C ATOM 0 H THR A 88 -1.544 -0.227 9.812 1.00 0.00 H new ATOM 0 HA THR A 88 0.559 -0.274 7.757 1.00 0.00 H new ATOM 0 HB THR A 88 1.582 1.226 9.103 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.221 -0.105 10.173 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.809 1.085 11.572 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.119 1.293 11.055 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.699 -0.306 11.578 1.00 0.00 H new ATOM 1349 N ILE A 89 -0.613 -2.575 8.173 1.00 0.00 N ATOM 1350 CA ILE A 89 -0.888 -4.000 8.269 1.00 0.00 C ATOM 1351 C ILE A 89 0.369 -4.731 7.787 1.00 0.00 C ATOM 1352 O ILE A 89 1.156 -4.170 7.026 1.00 0.00 O ATOM 1353 CB ILE A 89 -2.146 -4.327 7.440 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -3.285 -3.330 7.721 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -2.675 -5.745 7.704 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -3.627 -3.124 9.203 1.00 0.00 C ATOM 0 H ILE A 89 -0.997 -2.148 7.330 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.103 -4.322 9.288 1.00 0.00 H new ATOM 0 HB ILE A 89 -1.833 -4.253 6.399 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.016 -2.366 7.290 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.181 -3.672 7.203 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.561 -5.922 7.095 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.906 -6.474 7.447 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.933 -5.847 8.758 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.441 -2.404 9.292 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.933 -4.074 9.641 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.750 -2.747 9.730 1.00 0.00 H new ATOM 1368 N ILE A 90 0.587 -5.963 8.245 1.00 0.00 N ATOM 1369 CA ILE A 90 1.796 -6.727 7.940 1.00 0.00 C ATOM 1370 C ILE A 90 1.407 -8.173 7.640 1.00 0.00 C ATOM 1371 O ILE A 90 0.443 -8.681 8.211 1.00 0.00 O ATOM 1372 CB ILE A 90 2.792 -6.630 9.123 1.00 0.00 C ATOM 1373 CG1 ILE A 90 3.111 -5.153 9.436 1.00 0.00 C ATOM 1374 CG2 ILE A 90 4.095 -7.382 8.804 1.00 0.00 C ATOM 1375 CD1 ILE A 90 4.139 -4.956 10.555 1.00 0.00 C ATOM 0 H ILE A 90 -0.074 -6.462 8.841 1.00 0.00 H new ATOM 0 HA ILE A 90 2.293 -6.317 7.061 1.00 0.00 H new ATOM 0 HB ILE A 90 2.326 -7.090 9.994 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.480 -4.673 8.530 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.188 -4.644 9.713 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.779 -7.300 9.649 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.872 -8.433 8.618 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.559 -6.947 7.919 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.306 -3.890 10.712 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.765 -5.404 11.476 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.078 -5.433 10.275 1.00 0.00 H new ATOM 1387 N GLY A 91 2.162 -8.826 6.753 1.00 0.00 N ATOM 1388 CA GLY A 91 1.942 -10.212 6.375 1.00 0.00 C ATOM 1389 C GLY A 91 0.822 -10.342 5.347 1.00 0.00 C ATOM 1390 O GLY A 91 0.200 -9.354 4.955 1.00 0.00 O ATOM 0 H GLY A 91 2.953 -8.395 6.274 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.862 -10.629 5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.693 -10.796 7.261 1.00 0.00 H new ATOM 1394 N ALA A 92 0.608 -11.566 4.857 1.00 0.00 N ATOM 1395 CA ALA A 92 -0.461 -11.839 3.910 1.00 0.00 C ATOM 1396 C ALA A 92 -1.810 -11.664 4.614 1.00 0.00 C ATOM 1397 O ALA A 92 -1.898 -11.842 5.828 1.00 0.00 O ATOM 1398 CB ALA A 92 -0.308 -13.257 3.356 1.00 0.00 C ATOM 0 H ALA A 92 1.167 -12.382 5.106 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.410 -11.141 3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.110 -13.459 2.647 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.654 -13.349 2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.358 -13.975 4.175 1.00 0.00 H new ATOM 1404 N VAL A 93 -2.863 -11.330 3.862 1.00 0.00 N ATOM 1405 CA VAL A 93 -4.195 -11.096 4.403 1.00 0.00 C ATOM 1406 C VAL A 93 -5.238 -11.529 3.375 1.00 0.00 C ATOM 1407 O VAL A 93 -4.943 -11.502 2.179 1.00 0.00 O ATOM 1408 CB VAL A 93 -4.447 -9.591 4.650 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -4.959 -9.267 6.048 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -3.261 -8.675 4.320 1.00 0.00 C ATOM 0 H VAL A 93 -2.809 -11.215 2.850 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.267 -11.654 5.336 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.239 -9.374 3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.110 -8.191 6.140 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.904 -9.782 6.218 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.229 -9.595 6.788 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.533 -7.640 4.525 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.404 -8.954 4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.002 -8.780 3.266 1.00 0.00 H new ATOM 1420 N PRO A 94 -6.466 -11.862 3.802 1.00 0.00 N ATOM 1421 CA PRO A 94 -7.581 -12.012 2.903 1.00 0.00 C ATOM 1422 C PRO A 94 -7.976 -10.601 2.490 1.00 0.00 C ATOM 1423 O PRO A 94 -7.953 -9.670 3.301 1.00 0.00 O ATOM 1424 CB PRO A 94 -8.724 -12.649 3.696 1.00 0.00 C ATOM 1425 CG PRO A 94 -8.036 -13.156 4.968 1.00 0.00 C ATOM 1426 CD PRO A 94 -6.927 -12.118 5.146 1.00 0.00 C ATOM 0 HA PRO A 94 -7.349 -12.626 2.033 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -9.507 -11.925 3.924 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -9.193 -13.462 3.142 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.715 -13.181 5.820 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.639 -14.164 4.846 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.303 -11.210 5.618 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.124 -12.497 5.778 1.00 0.00 H new ATOM 1434 N LYS A 95 -8.390 -10.447 1.241 1.00 0.00 N ATOM 1435 CA LYS A 95 -8.806 -9.153 0.746 1.00 0.00 C ATOM 1436 C LYS A 95 -9.950 -8.598 1.584 1.00 0.00 C ATOM 1437 O LYS A 95 -10.015 -7.405 1.861 1.00 0.00 O ATOM 1438 CB LYS A 95 -9.249 -9.295 -0.717 1.00 0.00 C ATOM 1439 CG LYS A 95 -10.419 -10.262 -0.971 1.00 0.00 C ATOM 1440 CD LYS A 95 -10.642 -10.557 -2.463 1.00 0.00 C ATOM 1441 CE LYS A 95 -11.004 -9.314 -3.289 1.00 0.00 C ATOM 1442 NZ LYS A 95 -9.816 -8.586 -3.766 1.00 0.00 N ATOM 0 H LYS A 95 -8.445 -11.202 0.558 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.968 -8.459 0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.529 -8.310 -1.089 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.394 -9.627 -1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.230 -11.198 -0.446 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.331 -9.839 -0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.738 -11.006 -2.875 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.438 -11.294 -2.564 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.609 -9.614 -4.144 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.617 -8.646 -2.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -10.109 -7.838 -4.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.323 -8.159 -2.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -9.176 -9.246 -4.252 1.00 0.00 H new ATOM 1456 N ALA A 96 -10.847 -9.498 1.982 1.00 0.00 N ATOM 1457 CA ALA A 96 -12.007 -9.173 2.803 1.00 0.00 C ATOM 1458 C ALA A 96 -11.580 -8.346 4.020 1.00 0.00 C ATOM 1459 O ALA A 96 -12.110 -7.264 4.270 1.00 0.00 O ATOM 1460 CB ALA A 96 -12.704 -10.467 3.234 1.00 0.00 C ATOM 0 H ALA A 96 -10.786 -10.487 1.739 1.00 0.00 H new ATOM 0 HA ALA A 96 -12.709 -8.575 2.222 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -13.572 -10.226 3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.027 -11.018 2.351 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -12.010 -11.079 3.810 1.00 0.00 H new ATOM 1466 N THR A 97 -10.597 -8.852 4.767 1.00 0.00 N ATOM 1467 CA THR A 97 -10.069 -8.191 5.943 1.00 0.00 C ATOM 1468 C THR A 97 -9.526 -6.812 5.570 1.00 0.00 C ATOM 1469 O THR A 97 -9.864 -5.829 6.225 1.00 0.00 O ATOM 1470 CB THR A 97 -8.984 -9.086 6.550 1.00 0.00 C ATOM 1471 OG1 THR A 97 -9.481 -10.410 6.607 1.00 0.00 O ATOM 1472 CG2 THR A 97 -8.588 -8.635 7.958 1.00 0.00 C ATOM 0 H THR A 97 -10.145 -9.744 4.563 1.00 0.00 H new ATOM 0 HA THR A 97 -10.854 -8.036 6.683 1.00 0.00 H new ATOM 0 HB THR A 97 -8.094 -9.023 5.923 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.869 -10.967 7.133 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.816 -9.298 8.349 1.00 0.00 H new ATOM 0 HG22 THR A 97 -8.205 -7.615 7.919 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.461 -8.670 8.610 1.00 0.00 H new ATOM 1480 N ILE A 98 -8.698 -6.729 4.523 1.00 0.00 N ATOM 1481 CA ILE A 98 -8.140 -5.457 4.070 1.00 0.00 C ATOM 1482 C ILE A 98 -9.274 -4.458 3.813 1.00 0.00 C ATOM 1483 O ILE A 98 -9.267 -3.358 4.366 1.00 0.00 O ATOM 1484 CB ILE A 98 -7.245 -5.698 2.833 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -5.839 -6.147 3.277 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -7.137 -4.462 1.926 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -4.962 -5.033 3.872 1.00 0.00 C ATOM 0 H ILE A 98 -8.400 -7.535 3.973 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.505 -5.018 4.840 1.00 0.00 H new ATOM 0 HB ILE A 98 -7.720 -6.485 2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.944 -6.941 4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -5.323 -6.577 2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.496 -4.691 1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.129 -4.184 1.570 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.709 -3.633 2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.993 -5.445 4.155 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.820 -4.247 3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.450 -4.617 4.753 1.00 0.00 H new ATOM 1499 N VAL A 99 -10.260 -4.848 3.003 1.00 0.00 N ATOM 1500 CA VAL A 99 -11.408 -4.017 2.677 1.00 0.00 C ATOM 1501 C VAL A 99 -12.049 -3.511 3.972 1.00 0.00 C ATOM 1502 O VAL A 99 -12.131 -2.303 4.179 1.00 0.00 O ATOM 1503 CB VAL A 99 -12.373 -4.817 1.781 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -13.739 -4.140 1.643 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -11.767 -4.974 0.383 1.00 0.00 C ATOM 0 H VAL A 99 -10.279 -5.763 2.552 1.00 0.00 H new ATOM 0 HA VAL A 99 -11.111 -3.135 2.110 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.519 -5.787 2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.381 -4.744 1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -14.198 -4.042 2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.612 -3.151 1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -12.451 -5.540 -0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -11.600 -3.989 -0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -10.817 -5.504 0.456 1.00 0.00 H new ATOM 1515 N GLN A 100 -12.448 -4.416 4.871 1.00 0.00 N ATOM 1516 CA GLN A 100 -13.048 -4.043 6.151 1.00 0.00 C ATOM 1517 C GLN A 100 -12.174 -3.045 6.917 1.00 0.00 C ATOM 1518 O GLN A 100 -12.657 -2.033 7.429 1.00 0.00 O ATOM 1519 CB GLN A 100 -13.270 -5.310 6.991 1.00 0.00 C ATOM 1520 CG GLN A 100 -14.288 -6.290 6.391 1.00 0.00 C ATOM 1521 CD GLN A 100 -15.718 -5.885 6.709 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -16.392 -6.525 7.508 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -16.194 -4.812 6.094 1.00 0.00 N ATOM 0 H GLN A 100 -12.364 -5.423 4.731 1.00 0.00 H new ATOM 0 HA GLN A 100 -14.002 -3.554 5.956 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.316 -5.823 7.113 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.605 -5.019 7.986 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -14.155 -6.335 5.310 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.100 -7.292 6.778 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -15.608 -4.300 5.434 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -17.146 -4.498 6.281 1.00 0.00 H new ATOM 1532 N THR A 101 -10.877 -3.337 6.966 1.00 0.00 N ATOM 1533 CA THR A 101 -9.901 -2.535 7.692 1.00 0.00 C ATOM 1534 C THR A 101 -9.895 -1.101 7.158 1.00 0.00 C ATOM 1535 O THR A 101 -9.791 -0.168 7.949 1.00 0.00 O ATOM 1536 CB THR A 101 -8.510 -3.200 7.662 1.00 0.00 C ATOM 1537 OG1 THR A 101 -8.605 -4.490 8.230 1.00 0.00 O ATOM 1538 CG2 THR A 101 -7.500 -2.410 8.494 1.00 0.00 C ATOM 0 H THR A 101 -10.471 -4.147 6.497 1.00 0.00 H new ATOM 0 HA THR A 101 -10.187 -2.481 8.742 1.00 0.00 H new ATOM 0 HB THR A 101 -8.179 -3.238 6.624 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.094 -5.081 7.620 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.529 -2.904 8.453 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.410 -1.400 8.094 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.839 -2.362 9.529 1.00 0.00 H new ATOM 1546 N VAL A 102 -10.024 -0.898 5.843 1.00 0.00 N ATOM 1547 CA VAL A 102 -10.062 0.456 5.294 1.00 0.00 C ATOM 1548 C VAL A 102 -11.454 1.065 5.416 1.00 0.00 C ATOM 1549 O VAL A 102 -11.570 2.265 5.636 1.00 0.00 O ATOM 1550 CB VAL A 102 -9.614 0.468 3.836 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -9.609 1.904 3.281 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -8.207 -0.110 3.719 1.00 0.00 C ATOM 0 H VAL A 102 -10.103 -1.643 5.150 1.00 0.00 H new ATOM 0 HA VAL A 102 -9.369 1.062 5.878 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.315 -0.137 3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -9.287 1.891 2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.614 2.322 3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -8.923 2.518 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.894 -0.098 2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.517 0.490 4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.203 -1.136 4.087 1.00 0.00 H new ATOM 1562 N GLU A 103 -12.512 0.270 5.257 1.00 0.00 N ATOM 1563 CA GLU A 103 -13.887 0.747 5.364 1.00 0.00 C ATOM 1564 C GLU A 103 -14.113 1.424 6.714 1.00 0.00 C ATOM 1565 O GLU A 103 -14.828 2.418 6.809 1.00 0.00 O ATOM 1566 CB GLU A 103 -14.838 -0.423 5.147 1.00 0.00 C ATOM 1567 CG GLU A 103 -14.888 -0.740 3.647 1.00 0.00 C ATOM 1568 CD GLU A 103 -15.728 -1.974 3.339 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -15.711 -2.903 4.176 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -16.357 -1.978 2.259 1.00 0.00 O ATOM 0 H GLU A 103 -12.437 -0.726 5.050 1.00 0.00 H new ATOM 0 HA GLU A 103 -14.082 1.496 4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.500 -1.295 5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.834 -0.175 5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -15.297 0.117 3.111 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -13.874 -0.893 3.277 1.00 0.00 H new ATOM 1577 N LYS A 104 -13.464 0.910 7.756 1.00 0.00 N ATOM 1578 CA LYS A 104 -13.430 1.552 9.068 1.00 0.00 C ATOM 1579 C LYS A 104 -13.118 3.057 8.931 1.00 0.00 C ATOM 1580 O LYS A 104 -13.659 3.879 9.666 1.00 0.00 O ATOM 1581 CB LYS A 104 -12.341 0.863 9.894 1.00 0.00 C ATOM 1582 CG LYS A 104 -12.242 1.378 11.334 1.00 0.00 C ATOM 1583 CD LYS A 104 -10.964 0.801 11.949 1.00 0.00 C ATOM 1584 CE LYS A 104 -10.704 1.330 13.364 1.00 0.00 C ATOM 1585 NZ LYS A 104 -11.769 0.939 14.302 1.00 0.00 N ATOM 0 H LYS A 104 -12.945 0.033 7.714 1.00 0.00 H new ATOM 0 HA LYS A 104 -14.400 1.459 9.555 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -12.536 -0.209 9.914 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.379 1.003 9.400 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -12.215 2.468 11.349 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -13.115 1.072 11.910 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.037 -0.286 11.979 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.115 1.046 11.311 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.747 0.951 13.723 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.626 2.417 13.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.522 1.258 15.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -12.666 1.378 14.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -11.873 -0.096 14.298 1.00 0.00 H new ATOM 1599 N TYR A 105 -12.229 3.400 7.993 1.00 0.00 N ATOM 1600 CA TYR A 105 -11.756 4.741 7.680 1.00 0.00 C ATOM 1601 C TYR A 105 -12.402 5.318 6.407 1.00 0.00 C ATOM 1602 O TYR A 105 -11.904 6.314 5.890 1.00 0.00 O ATOM 1603 CB TYR A 105 -10.228 4.671 7.521 1.00 0.00 C ATOM 1604 CG TYR A 105 -9.499 4.200 8.755 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -9.379 5.056 9.861 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -8.981 2.895 8.814 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -8.737 4.612 11.029 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -8.368 2.443 9.992 1.00 0.00 C ATOM 1609 CZ TYR A 105 -8.216 3.310 11.087 1.00 0.00 C ATOM 1610 OH TYR A 105 -7.564 2.898 12.210 1.00 0.00 O ATOM 0 H TYR A 105 -11.795 2.696 7.395 1.00 0.00 H new ATOM 0 HA TYR A 105 -12.039 5.412 8.491 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.990 4.001 6.694 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.857 5.659 7.248 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.781 6.057 9.814 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.055 2.243 7.956 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.645 5.271 11.880 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -8.012 1.426 10.057 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.759 2.400 11.957 1.00 0.00 H new ATOM 1620 N LEU A 106 -13.489 4.725 5.899 1.00 0.00 N ATOM 1621 CA LEU A 106 -14.237 5.194 4.736 1.00 0.00 C ATOM 1622 C LEU A 106 -15.652 4.625 4.812 1.00 0.00 C ATOM 1623 O LEU A 106 -15.915 3.501 4.386 1.00 0.00 O ATOM 1624 CB LEU A 106 -13.596 4.778 3.400 1.00 0.00 C ATOM 1625 CG LEU A 106 -12.555 5.736 2.793 1.00 0.00 C ATOM 1626 CD1 LEU A 106 -12.470 5.414 1.295 1.00 0.00 C ATOM 1627 CD2 LEU A 106 -12.904 7.226 2.910 1.00 0.00 C ATOM 0 H LEU A 106 -13.882 3.876 6.304 1.00 0.00 H new ATOM 0 HA LEU A 106 -14.239 6.284 4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -13.121 3.807 3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -14.394 4.639 2.671 1.00 0.00 H new ATOM 0 HG LEU A 106 -11.628 5.584 3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.741 6.072 0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -12.162 4.377 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -13.446 5.564 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -12.113 7.822 2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -13.846 7.421 2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -13.002 7.495 3.962 1.00 0.00 H new ATOM 1639 N ASN A 107 -16.558 5.440 5.336 1.00 0.00 N ATOM 1640 CA ASN A 107 -17.974 5.188 5.513 1.00 0.00 C ATOM 1641 C ASN A 107 -18.591 6.574 5.721 1.00 0.00 C ATOM 1642 O ASN A 107 -19.837 6.669 5.707 1.00 0.00 O ATOM 1643 CB ASN A 107 -18.203 4.266 6.724 1.00 0.00 C ATOM 1644 CG ASN A 107 -19.562 3.563 6.723 1.00 0.00 C ATOM 1645 OD1 ASN A 107 -19.639 2.363 6.971 1.00 0.00 O ATOM 1646 ND2 ASN A 107 -20.654 4.271 6.461 1.00 0.00 N ATOM 1647 OXT ASN A 107 -17.782 7.515 5.897 1.00 0.00 O ATOM 0 H ASN A 107 -16.296 6.366 5.673 1.00 0.00 H new ATOM 0 HA ASN A 107 -18.426 4.678 4.662 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -17.416 3.513 6.748 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -18.110 4.853 7.638 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -21.568 3.819 6.465 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -20.579 5.267 6.256 1.00 0.00 H new TER 1654 ASN A 107