USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 695 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 51 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 82 THR OG1 : rot -10:sc= -1.25 USER MOD Set 2.1: A 27 CYS SG : rot -81:sc= -0.0576 USER MOD Set 2.2: A 66 CYS SG : rot 86:sc= 0.712 USER MOD Set 3.1: A 23 ASN : amide:sc= -4.89! C(o=-8.5!,f=-8.3!) USER MOD Set 3.2: A 28 THR OG1 : rot -127:sc= -3.62 USER MOD Set 4.1: A 19 SER OG : rot -164:sc= -2.21! USER MOD Set 4.2: A 103 GLN : amide:sc= -3.71 K(o=-5.9,f=-14!) USER MOD Set 5.1: A 5 ASN : amide:sc= -3.17 K(o=-4,f=-1.5!) USER MOD Set 5.2: A 78 SER OG : rot 180:sc= -0.783 USER MOD Single : A 1 LEU N :NH3+ -125:sc=-0.00297 (180deg=-0.629) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -137:sc= -0.583 (180deg=-0.705) USER MOD Single : A 10 LYS NZ :NH3+ -147:sc= -6.69 (180deg=-10!) USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= -0.0511 (180deg=-0.288) USER MOD Single : A 14 LYS NZ :NH3+ -138:sc= -1.54 (180deg=-3.77!) USER MOD Single : A 21 SER OG : rot 180:sc= -1.12 USER MOD Single : A 34 GLN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 36 GLN : amide:sc= -2.32 K(o=-2.3,f=-3.7!) USER MOD Single : A 37 TYR OH : rot -86:sc= 1.02 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 172:sc= 1.15 (180deg=0.878) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 52 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.2) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -1.76 K(o=-1.8,f=-9.5!) USER MOD Single : A 67 TYR OH : rot -32:sc= 1.03 USER MOD Single : A 71 LYS NZ :NH3+ -140:sc= -0.138 (180deg=-0.513!) USER MOD Single : A 74 ASN : amide:sc= -2.69 K(o=-2.7,f=-1.1) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 174:sc= -0.948 (180deg=-1.12) USER MOD Single : A 104 TYR OH : rot -134:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -1.462 -10.157 -13.969 1.00 0.00 N ATOM 2 CA LEU A 1 -1.132 -9.199 -12.881 1.00 0.00 C ATOM 3 C LEU A 1 -0.780 -7.826 -13.444 1.00 0.00 C ATOM 4 O LEU A 1 0.315 -7.621 -13.968 1.00 0.00 O ATOM 5 CB LEU A 1 0.048 -9.756 -12.081 1.00 0.00 C ATOM 6 CG LEU A 1 -0.329 -10.747 -10.977 1.00 0.00 C ATOM 7 CD1 LEU A 1 -0.258 -12.175 -11.494 1.00 0.00 C ATOM 8 CD2 LEU A 1 0.581 -10.570 -9.770 1.00 0.00 C ATOM 0 H1 LEU A 1 -2.402 -10.567 -13.797 1.00 0.00 H new ATOM 0 H2 LEU A 1 -1.463 -9.659 -14.882 1.00 0.00 H new ATOM 0 H3 LEU A 1 -0.752 -10.916 -13.990 1.00 0.00 H new ATOM 0 HA LEU A 1 -2.002 -9.078 -12.236 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.735 -10.247 -12.770 1.00 0.00 H new ATOM 0 HB3 LEU A 1 0.588 -8.923 -11.632 1.00 0.00 H new ATOM 0 HG LEU A 1 -1.355 -10.545 -10.668 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.529 -12.865 -10.695 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -0.950 -12.295 -12.328 1.00 0.00 H new ATOM 0 HD13 LEU A 1 0.756 -12.390 -11.830 1.00 0.00 H new ATOM 0 HD21 LEU A 1 0.299 -11.282 -8.994 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.615 -10.745 -10.065 1.00 0.00 H new ATOM 0 HD23 LEU A 1 0.481 -9.555 -9.385 1.00 0.00 H new ATOM 22 N GLU A 2 -1.716 -6.889 -13.334 1.00 0.00 N ATOM 23 CA GLU A 2 -1.503 -5.535 -13.833 1.00 0.00 C ATOM 24 C GLU A 2 -0.670 -4.720 -12.852 1.00 0.00 C ATOM 25 O GLU A 2 -0.651 -5.004 -11.655 1.00 0.00 O ATOM 26 CB GLU A 2 -2.844 -4.836 -14.069 1.00 0.00 C ATOM 27 CG GLU A 2 -2.891 -4.022 -15.351 1.00 0.00 C ATOM 28 CD GLU A 2 -3.529 -4.776 -16.500 1.00 0.00 C ATOM 29 OE1 GLU A 2 -4.691 -5.213 -16.351 1.00 0.00 O ATOM 30 OE2 GLU A 2 -2.870 -4.931 -17.550 1.00 0.00 O ATOM 0 H GLU A 2 -2.628 -7.042 -12.904 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.963 -5.607 -14.777 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.635 -5.586 -14.096 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.055 -4.180 -13.225 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.448 -3.102 -15.172 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.878 -3.732 -15.630 1.00 0.00 H new ATOM 37 N LYS A 3 0.004 -3.698 -13.363 1.00 0.00 N ATOM 38 CA LYS A 3 0.821 -2.830 -12.526 1.00 0.00 C ATOM 39 C LYS A 3 0.860 -1.418 -13.092 1.00 0.00 C ATOM 40 O LYS A 3 1.150 -1.214 -14.270 1.00 0.00 O ATOM 41 CB LYS A 3 2.248 -3.367 -12.399 1.00 0.00 C ATOM 42 CG LYS A 3 2.328 -4.854 -12.098 1.00 0.00 C ATOM 43 CD LYS A 3 3.772 -5.307 -11.957 1.00 0.00 C ATOM 44 CE LYS A 3 3.938 -6.303 -10.822 1.00 0.00 C ATOM 45 NZ LYS A 3 4.859 -7.415 -11.189 1.00 0.00 N ATOM 0 H LYS A 3 0.001 -3.450 -14.352 1.00 0.00 H new ATOM 0 HA LYS A 3 0.365 -2.808 -11.536 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.784 -3.166 -13.327 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.762 -2.819 -11.609 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.784 -5.072 -11.179 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.844 -5.416 -12.896 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.104 -5.760 -12.891 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.410 -4.441 -11.778 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.323 -5.789 -9.941 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.964 -6.712 -10.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.946 -8.073 -10.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.480 -7.922 -12.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.796 -7.028 -11.421 1.00 0.00 H new ATOM 59 N PHE A 4 0.584 -0.446 -12.235 1.00 0.00 N ATOM 60 CA PHE A 4 0.601 0.953 -12.631 1.00 0.00 C ATOM 61 C PHE A 4 1.255 1.787 -11.539 1.00 0.00 C ATOM 62 O PHE A 4 1.507 1.287 -10.443 1.00 0.00 O ATOM 63 CB PHE A 4 -0.819 1.452 -12.923 1.00 0.00 C ATOM 64 CG PHE A 4 -1.663 1.656 -11.696 1.00 0.00 C ATOM 65 CD1 PHE A 4 -2.298 0.587 -11.085 1.00 0.00 C ATOM 66 CD2 PHE A 4 -1.826 2.921 -11.159 1.00 0.00 C ATOM 67 CE1 PHE A 4 -3.075 0.777 -9.960 1.00 0.00 C ATOM 68 CE2 PHE A 4 -2.603 3.115 -10.037 1.00 0.00 C ATOM 69 CZ PHE A 4 -3.228 2.044 -9.436 1.00 0.00 C ATOM 0 H PHE A 4 0.344 -0.603 -11.256 1.00 0.00 H new ATOM 0 HA PHE A 4 1.183 1.055 -13.547 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.757 2.394 -13.468 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.316 0.737 -13.578 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.184 -0.406 -11.493 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.339 3.765 -11.624 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.562 -0.065 -9.491 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.722 4.108 -9.628 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.836 2.196 -8.557 1.00 0.00 H new ATOM 79 N ASN A 5 1.540 3.048 -11.834 1.00 0.00 N ATOM 80 CA ASN A 5 2.179 3.920 -10.858 1.00 0.00 C ATOM 81 C ASN A 5 1.210 4.969 -10.333 1.00 0.00 C ATOM 82 O ASN A 5 0.467 5.588 -11.095 1.00 0.00 O ATOM 83 CB ASN A 5 3.402 4.601 -11.480 1.00 0.00 C ATOM 84 CG ASN A 5 4.676 4.323 -10.706 1.00 0.00 C ATOM 85 OD1 ASN A 5 5.699 3.956 -11.282 1.00 0.00 O ATOM 86 ND2 ASN A 5 4.619 4.498 -9.390 1.00 0.00 N ATOM 0 H ASN A 5 1.341 3.487 -12.733 1.00 0.00 H new ATOM 0 HA ASN A 5 2.498 3.304 -10.017 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.522 4.257 -12.507 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.233 5.677 -11.522 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.445 4.327 -8.816 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.749 4.804 -8.953 1.00 0.00 H new ATOM 93 N VAL A 6 1.235 5.168 -9.020 1.00 0.00 N ATOM 94 CA VAL A 6 0.372 6.147 -8.375 1.00 0.00 C ATOM 95 C VAL A 6 1.207 7.266 -7.774 1.00 0.00 C ATOM 96 O VAL A 6 1.874 7.077 -6.761 1.00 0.00 O ATOM 97 CB VAL A 6 -0.465 5.502 -7.255 1.00 0.00 C ATOM 98 CG1 VAL A 6 -1.516 6.470 -6.739 1.00 0.00 C ATOM 99 CG2 VAL A 6 -1.100 4.210 -7.735 1.00 0.00 C ATOM 0 H VAL A 6 1.847 4.661 -8.380 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.299 6.545 -9.137 1.00 0.00 H new ATOM 0 HB VAL A 6 0.202 5.261 -6.427 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.094 5.992 -5.949 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.028 7.360 -6.343 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.181 6.754 -7.555 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.687 3.771 -6.928 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.750 4.418 -8.585 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.320 3.512 -8.038 1.00 0.00 H new ATOM 109 N ASP A 7 1.169 8.434 -8.400 1.00 0.00 N ATOM 110 CA ASP A 7 1.937 9.568 -7.908 1.00 0.00 C ATOM 111 C ASP A 7 1.019 10.657 -7.370 1.00 0.00 C ATOM 112 O ASP A 7 0.111 11.115 -8.066 1.00 0.00 O ATOM 113 CB ASP A 7 2.812 10.135 -9.026 1.00 0.00 C ATOM 114 CG ASP A 7 2.034 10.374 -10.305 1.00 0.00 C ATOM 115 OD1 ASP A 7 1.287 11.373 -10.369 1.00 0.00 O ATOM 116 OD2 ASP A 7 2.171 9.562 -11.244 1.00 0.00 O ATOM 0 H ASP A 7 0.621 8.620 -9.240 1.00 0.00 H new ATOM 0 HA ASP A 7 2.572 9.219 -7.094 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.258 11.073 -8.695 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.632 9.446 -9.226 1.00 0.00 H new ATOM 121 N LEU A 8 1.271 11.087 -6.139 1.00 0.00 N ATOM 122 CA LEU A 8 0.473 12.144 -5.534 1.00 0.00 C ATOM 123 C LEU A 8 1.296 12.919 -4.519 1.00 0.00 C ATOM 124 O LEU A 8 2.298 12.423 -4.013 1.00 0.00 O ATOM 125 CB LEU A 8 -0.818 11.597 -4.894 1.00 0.00 C ATOM 126 CG LEU A 8 -0.677 10.431 -3.897 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.167 9.304 -4.472 1.00 0.00 C ATOM 128 CD2 LEU A 8 -0.110 10.913 -2.567 1.00 0.00 C ATOM 0 H LEU A 8 2.016 10.723 -5.545 1.00 0.00 H new ATOM 0 HA LEU A 8 0.172 12.825 -6.330 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.314 12.421 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.482 11.275 -5.697 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.676 10.034 -3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.245 8.499 -3.742 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.302 8.926 -5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.163 9.679 -4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.021 10.070 -1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.874 11.354 -2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.776 11.661 -2.137 1.00 0.00 H new ATOM 140 N MET A 9 0.882 14.143 -4.234 1.00 0.00 N ATOM 141 CA MET A 9 1.602 14.976 -3.286 1.00 0.00 C ATOM 142 C MET A 9 1.415 14.460 -1.866 1.00 0.00 C ATOM 143 O MET A 9 0.296 14.398 -1.357 1.00 0.00 O ATOM 144 CB MET A 9 1.138 16.427 -3.397 1.00 0.00 C ATOM 145 CG MET A 9 2.036 17.275 -4.285 1.00 0.00 C ATOM 146 SD MET A 9 2.994 18.487 -3.352 1.00 0.00 S ATOM 147 CE MET A 9 4.638 17.790 -3.487 1.00 0.00 C ATOM 0 H MET A 9 0.056 14.579 -4.643 1.00 0.00 H new ATOM 0 HA MET A 9 2.665 14.933 -3.525 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.122 16.448 -3.792 1.00 0.00 H new ATOM 0 HB3 MET A 9 1.102 16.868 -2.401 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.717 16.624 -4.833 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.425 17.792 -5.024 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.139 17.851 -2.521 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.567 16.747 -3.794 1.00 0.00 H new ATOM 0 HE3 MET A 9 5.210 18.348 -4.228 1.00 0.00 H new ATOM 157 N LYS A 10 2.520 14.075 -1.242 1.00 0.00 N ATOM 158 CA LYS A 10 2.486 13.546 0.112 1.00 0.00 C ATOM 159 C LYS A 10 2.906 14.591 1.139 1.00 0.00 C ATOM 160 O LYS A 10 3.962 15.211 1.016 1.00 0.00 O ATOM 161 CB LYS A 10 3.404 12.327 0.225 1.00 0.00 C ATOM 162 CG LYS A 10 2.697 11.075 0.713 1.00 0.00 C ATOM 163 CD LYS A 10 2.818 10.931 2.220 1.00 0.00 C ATOM 164 CE LYS A 10 1.462 10.937 2.890 1.00 0.00 C ATOM 165 NZ LYS A 10 1.091 12.286 3.383 1.00 0.00 N ATOM 0 H LYS A 10 3.452 14.120 -1.654 1.00 0.00 H new ATOM 0 HA LYS A 10 1.456 13.256 0.322 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.849 12.126 -0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.222 12.561 0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.645 11.115 0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.124 10.199 0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.338 10.003 2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.424 11.746 2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.708 10.589 2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.467 10.235 3.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.524 12.195 4.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.953 12.830 3.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.536 12.781 2.656 1.00 0.00 H new ATOM 179 N LYS A 11 2.082 14.755 2.162 1.00 0.00 N ATOM 180 CA LYS A 11 2.376 15.696 3.238 1.00 0.00 C ATOM 181 C LYS A 11 2.472 14.958 4.571 1.00 0.00 C ATOM 182 O LYS A 11 1.632 15.124 5.456 1.00 0.00 O ATOM 183 CB LYS A 11 1.312 16.792 3.318 1.00 0.00 C ATOM 184 CG LYS A 11 0.781 17.236 1.966 1.00 0.00 C ATOM 185 CD LYS A 11 1.780 18.125 1.244 1.00 0.00 C ATOM 186 CE LYS A 11 1.675 17.968 -0.263 1.00 0.00 C ATOM 187 NZ LYS A 11 0.643 18.868 -0.845 1.00 0.00 N ATOM 0 H LYS A 11 1.203 14.249 2.272 1.00 0.00 H new ATOM 0 HA LYS A 11 3.334 16.169 3.022 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.480 16.433 3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.732 17.656 3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.561 16.361 1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.157 17.774 2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.605 19.166 1.516 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.791 17.876 1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.642 18.182 -0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.432 16.933 -0.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.915 19.126 -1.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.275 18.379 -0.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.567 19.729 -0.266 1.00 0.00 H new ATOM 201 N ALA A 12 3.520 14.150 4.699 1.00 0.00 N ATOM 202 CA ALA A 12 3.781 13.374 5.910 1.00 0.00 C ATOM 203 C ALA A 12 2.543 12.638 6.440 1.00 0.00 C ATOM 204 O ALA A 12 1.943 13.053 7.432 1.00 0.00 O ATOM 205 CB ALA A 12 4.356 14.275 6.991 1.00 0.00 C ATOM 0 H ALA A 12 4.215 14.014 3.965 1.00 0.00 H new ATOM 0 HA ALA A 12 4.505 12.606 5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.547 13.689 7.890 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.289 14.715 6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.644 15.068 7.220 1.00 0.00 H new ATOM 211 N GLY A 13 2.194 11.525 5.796 1.00 0.00 N ATOM 212 CA GLY A 13 1.061 10.722 6.232 1.00 0.00 C ATOM 213 C GLY A 13 -0.205 11.518 6.480 1.00 0.00 C ATOM 214 O GLY A 13 -0.358 12.144 7.529 1.00 0.00 O ATOM 0 H GLY A 13 2.679 11.163 4.975 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.857 9.962 5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.333 10.198 7.148 1.00 0.00 H new ATOM 218 N LYS A 14 -1.120 11.482 5.518 1.00 0.00 N ATOM 219 CA LYS A 14 -2.386 12.192 5.649 1.00 0.00 C ATOM 220 C LYS A 14 -3.461 11.629 4.708 1.00 0.00 C ATOM 221 O LYS A 14 -4.073 10.600 4.994 1.00 0.00 O ATOM 222 CB LYS A 14 -2.191 13.687 5.397 1.00 0.00 C ATOM 223 CG LYS A 14 -1.241 13.997 4.259 1.00 0.00 C ATOM 224 CD LYS A 14 -1.647 15.267 3.523 1.00 0.00 C ATOM 225 CE LYS A 14 -1.851 16.434 4.478 1.00 0.00 C ATOM 226 NZ LYS A 14 -3.230 16.456 5.043 1.00 0.00 N ATOM 0 H LYS A 14 -1.009 10.971 4.642 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.735 12.046 6.671 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.159 14.139 5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.816 14.154 6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.229 14.109 4.649 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.223 13.160 3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.880 15.525 2.793 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.568 15.087 2.968 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.127 16.369 5.290 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.659 17.370 3.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.584 17.434 5.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.855 15.869 4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.214 16.081 6.013 1.00 0.00 H new ATOM 240 N GLU A 15 -3.695 12.326 3.597 1.00 0.00 N ATOM 241 CA GLU A 15 -4.697 11.939 2.613 1.00 0.00 C ATOM 242 C GLU A 15 -4.324 10.667 1.848 1.00 0.00 C ATOM 243 O GLU A 15 -5.120 10.175 1.047 1.00 0.00 O ATOM 244 CB GLU A 15 -4.946 13.093 1.646 1.00 0.00 C ATOM 245 CG GLU A 15 -5.849 14.173 2.221 1.00 0.00 C ATOM 246 CD GLU A 15 -5.643 15.520 1.553 1.00 0.00 C ATOM 247 OE1 GLU A 15 -5.520 15.553 0.310 1.00 0.00 O ATOM 248 OE2 GLU A 15 -5.606 16.539 2.272 1.00 0.00 O ATOM 0 H GLU A 15 -3.191 13.179 3.356 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.613 11.712 3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.991 13.538 1.368 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.394 12.702 0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.890 13.870 2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.660 14.269 3.290 1.00 0.00 H new ATOM 255 N LEU A 16 -3.119 10.132 2.071 1.00 0.00 N ATOM 256 CA LEU A 16 -2.692 8.918 1.363 1.00 0.00 C ATOM 257 C LEU A 16 -3.818 7.884 1.377 1.00 0.00 C ATOM 258 O LEU A 16 -3.969 7.101 0.442 1.00 0.00 O ATOM 259 CB LEU A 16 -1.435 8.330 2.014 1.00 0.00 C ATOM 260 CG LEU A 16 -0.138 8.518 1.222 1.00 0.00 C ATOM 261 CD1 LEU A 16 1.063 8.137 2.073 1.00 0.00 C ATOM 262 CD2 LEU A 16 -0.162 7.695 -0.055 1.00 0.00 C ATOM 0 H LEU A 16 -2.432 10.511 2.723 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.459 9.181 0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.310 8.783 2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.593 7.263 2.172 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.054 9.570 0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.977 8.276 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.095 8.769 2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.979 7.093 2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.769 7.844 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.271 6.640 0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.001 8.010 -0.675 1.00 0.00 H new ATOM 274 N GLY A 17 -4.622 7.927 2.437 1.00 0.00 N ATOM 275 CA GLY A 17 -5.764 7.040 2.585 1.00 0.00 C ATOM 276 C GLY A 17 -5.666 5.731 1.824 1.00 0.00 C ATOM 277 O GLY A 17 -6.484 5.456 0.945 1.00 0.00 O ATOM 0 H GLY A 17 -4.497 8.577 3.213 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.897 6.818 3.644 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.659 7.568 2.256 1.00 0.00 H new ATOM 281 N LEU A 18 -4.688 4.914 2.176 1.00 0.00 N ATOM 282 CA LEU A 18 -4.516 3.616 1.534 1.00 0.00 C ATOM 283 C LEU A 18 -3.995 2.604 2.536 1.00 0.00 C ATOM 284 O LEU A 18 -2.788 2.464 2.729 1.00 0.00 O ATOM 285 CB LEU A 18 -3.567 3.706 0.339 1.00 0.00 C ATOM 286 CG LEU A 18 -2.431 4.715 0.481 1.00 0.00 C ATOM 287 CD1 LEU A 18 -1.159 4.029 0.959 1.00 0.00 C ATOM 288 CD2 LEU A 18 -2.194 5.430 -0.840 1.00 0.00 C ATOM 0 H LEU A 18 -4.001 5.123 2.901 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.490 3.292 1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.135 2.720 0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.148 3.961 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.716 5.455 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.362 4.766 1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.339 3.563 1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.864 3.266 0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.381 6.147 -0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.929 4.701 -1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.102 5.955 -1.137 1.00 0.00 H new ATOM 300 N SER A 19 -4.917 1.900 3.174 1.00 0.00 N ATOM 301 CA SER A 19 -4.555 0.896 4.165 1.00 0.00 C ATOM 302 C SER A 19 -3.761 -0.226 3.510 1.00 0.00 C ATOM 303 O SER A 19 -4.240 -0.879 2.585 1.00 0.00 O ATOM 304 CB SER A 19 -5.808 0.343 4.845 1.00 0.00 C ATOM 305 OG SER A 19 -5.609 -0.989 5.291 1.00 0.00 O ATOM 0 H SER A 19 -5.921 2.004 3.024 1.00 0.00 H new ATOM 0 HA SER A 19 -3.930 1.364 4.926 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.074 0.976 5.692 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.646 0.374 4.148 1.00 0.00 H new ATOM 0 HG SER A 19 -6.476 -1.401 5.487 1.00 0.00 H new ATOM 311 N LEU A 20 -2.539 -0.437 3.988 1.00 0.00 N ATOM 312 CA LEU A 20 -1.677 -1.475 3.436 1.00 0.00 C ATOM 313 C LEU A 20 -1.686 -2.730 4.301 1.00 0.00 C ATOM 314 O LEU A 20 -2.006 -2.680 5.488 1.00 0.00 O ATOM 315 CB LEU A 20 -0.240 -0.958 3.292 1.00 0.00 C ATOM 316 CG LEU A 20 -0.069 0.293 2.423 1.00 0.00 C ATOM 317 CD1 LEU A 20 -1.106 0.333 1.309 1.00 0.00 C ATOM 318 CD2 LEU A 20 -0.155 1.544 3.279 1.00 0.00 C ATOM 0 H LEU A 20 -2.125 0.095 4.753 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.069 -1.735 2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.151 -0.744 4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.374 -1.756 2.873 1.00 0.00 H new ATOM 0 HG LEU A 20 0.917 0.253 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.961 1.231 0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.995 -0.548 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.106 0.345 1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.032 2.425 2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.127 1.582 3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.632 1.524 4.033 1.00 0.00 H new ATOM 330 N SER A 21 -1.325 -3.852 3.690 1.00 0.00 N ATOM 331 CA SER A 21 -1.278 -5.130 4.389 1.00 0.00 C ATOM 332 C SER A 21 0.038 -5.849 4.094 1.00 0.00 C ATOM 333 O SER A 21 0.741 -5.503 3.147 1.00 0.00 O ATOM 334 CB SER A 21 -2.466 -6.004 3.979 1.00 0.00 C ATOM 335 OG SER A 21 -3.193 -6.441 5.112 1.00 0.00 O ATOM 0 H SER A 21 -1.059 -3.902 2.707 1.00 0.00 H new ATOM 0 HA SER A 21 -1.338 -4.942 5.461 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.123 -5.441 3.316 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.109 -6.867 3.417 1.00 0.00 H new ATOM 0 HG SER A 21 -3.947 -6.996 4.823 1.00 0.00 H new ATOM 341 N PRO A 22 0.395 -6.858 4.908 1.00 0.00 N ATOM 342 CA PRO A 22 1.640 -7.613 4.728 1.00 0.00 C ATOM 343 C PRO A 22 1.605 -8.527 3.507 1.00 0.00 C ATOM 344 O PRO A 22 0.797 -9.454 3.435 1.00 0.00 O ATOM 345 CB PRO A 22 1.739 -8.440 6.010 1.00 0.00 C ATOM 346 CG PRO A 22 0.332 -8.596 6.471 1.00 0.00 C ATOM 347 CD PRO A 22 -0.379 -7.333 6.070 1.00 0.00 C ATOM 0 HA PRO A 22 2.491 -6.953 4.558 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.203 -9.408 5.821 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.348 -7.935 6.760 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.134 -9.468 6.013 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.289 -8.742 7.550 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.420 -7.524 5.808 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.382 -6.600 6.877 1.00 0.00 H new ATOM 355 N ASN A 23 2.494 -8.265 2.552 1.00 0.00 N ATOM 356 CA ASN A 23 2.573 -9.069 1.338 1.00 0.00 C ATOM 357 C ASN A 23 4.013 -9.490 1.058 1.00 0.00 C ATOM 358 O ASN A 23 4.957 -8.913 1.599 1.00 0.00 O ATOM 359 CB ASN A 23 2.013 -8.298 0.139 1.00 0.00 C ATOM 360 CG ASN A 23 0.937 -9.078 -0.587 1.00 0.00 C ATOM 361 OD1 ASN A 23 0.934 -9.160 -1.816 1.00 0.00 O ATOM 362 ND2 ASN A 23 0.015 -9.657 0.172 1.00 0.00 N ATOM 0 H ASN A 23 3.169 -7.502 2.597 1.00 0.00 H new ATOM 0 HA ASN A 23 1.971 -9.964 1.492 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.604 -7.347 0.479 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.823 -8.067 -0.553 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.735 -10.197 -0.259 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.057 -9.562 1.187 1.00 0.00 H new ATOM 369 N GLU A 24 4.170 -10.499 0.209 1.00 0.00 N ATOM 370 CA GLU A 24 5.491 -11.004 -0.148 1.00 0.00 C ATOM 371 C GLU A 24 6.152 -10.113 -1.195 1.00 0.00 C ATOM 372 O GLU A 24 7.364 -9.900 -1.169 1.00 0.00 O ATOM 373 CB GLU A 24 5.379 -12.432 -0.681 1.00 0.00 C ATOM 374 CG GLU A 24 4.607 -12.535 -1.987 1.00 0.00 C ATOM 375 CD GLU A 24 4.393 -13.969 -2.427 1.00 0.00 C ATOM 376 OE1 GLU A 24 5.347 -14.769 -2.329 1.00 0.00 O ATOM 377 OE2 GLU A 24 3.269 -14.293 -2.868 1.00 0.00 O ATOM 0 H GLU A 24 3.397 -10.985 -0.246 1.00 0.00 H new ATOM 0 HA GLU A 24 6.110 -10.999 0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.381 -12.836 -0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.891 -13.054 0.070 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.640 -12.046 -1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.146 -11.996 -2.767 1.00 0.00 H new ATOM 384 N ILE A 25 5.345 -9.608 -2.120 1.00 0.00 N ATOM 385 CA ILE A 25 5.844 -8.748 -3.189 1.00 0.00 C ATOM 386 C ILE A 25 5.720 -7.269 -2.834 1.00 0.00 C ATOM 387 O ILE A 25 6.198 -6.407 -3.573 1.00 0.00 O ATOM 388 CB ILE A 25 5.096 -9.014 -4.507 1.00 0.00 C ATOM 389 CG1 ILE A 25 3.598 -8.718 -4.338 1.00 0.00 C ATOM 390 CG2 ILE A 25 5.329 -10.451 -4.952 1.00 0.00 C ATOM 391 CD1 ILE A 25 2.715 -9.392 -5.367 1.00 0.00 C ATOM 0 H ILE A 25 4.340 -9.779 -2.152 1.00 0.00 H new ATOM 0 HA ILE A 25 6.900 -8.989 -3.315 1.00 0.00 H new ATOM 0 HB ILE A 25 5.481 -8.350 -5.281 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.286 -9.036 -3.343 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.443 -7.640 -4.392 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.797 -10.634 -5.886 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.396 -10.616 -5.104 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.961 -11.133 -4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.673 -9.133 -5.178 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.998 -9.056 -6.365 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.838 -10.473 -5.300 1.00 0.00 H new ATOM 403 N GLY A 26 5.085 -6.974 -1.705 1.00 0.00 N ATOM 404 CA GLY A 26 4.925 -5.594 -1.289 1.00 0.00 C ATOM 405 C GLY A 26 3.910 -5.435 -0.179 1.00 0.00 C ATOM 406 O GLY A 26 4.044 -6.037 0.885 1.00 0.00 O ATOM 0 H GLY A 26 4.679 -7.664 -1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.887 -5.205 -0.955 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.618 -4.993 -2.145 1.00 0.00 H new ATOM 410 N CYS A 27 2.893 -4.618 -0.426 1.00 0.00 N ATOM 411 CA CYS A 27 1.853 -4.378 0.566 1.00 0.00 C ATOM 412 C CYS A 27 0.477 -4.338 -0.087 1.00 0.00 C ATOM 413 O CYS A 27 0.124 -3.363 -0.752 1.00 0.00 O ATOM 414 CB CYS A 27 2.108 -3.065 1.323 1.00 0.00 C ATOM 415 SG CYS A 27 3.450 -2.048 0.657 1.00 0.00 S ATOM 0 H CYS A 27 2.767 -4.112 -1.303 1.00 0.00 H new ATOM 0 HA CYS A 27 1.880 -5.203 1.277 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.190 -2.477 1.320 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.332 -3.300 2.363 1.00 0.00 H new ATOM 0 HG CYS A 27 4.591 -2.500 1.086 1.00 0.00 H new ATOM 421 N THR A 28 -0.304 -5.394 0.116 1.00 0.00 N ATOM 422 CA THR A 28 -1.646 -5.466 -0.445 1.00 0.00 C ATOM 423 C THR A 28 -2.545 -4.419 0.202 1.00 0.00 C ATOM 424 O THR A 28 -2.732 -4.417 1.418 1.00 0.00 O ATOM 425 CB THR A 28 -2.239 -6.863 -0.241 1.00 0.00 C ATOM 426 OG1 THR A 28 -1.467 -7.837 -0.919 1.00 0.00 O ATOM 427 CG2 THR A 28 -3.666 -6.987 -0.732 1.00 0.00 C ATOM 0 H THR A 28 -0.030 -6.210 0.664 1.00 0.00 H new ATOM 0 HA THR A 28 -1.583 -5.266 -1.515 1.00 0.00 H new ATOM 0 HB THR A 28 -2.228 -7.027 0.837 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.050 -8.372 -1.497 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.024 -8.002 -0.557 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.299 -6.281 -0.194 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.704 -6.768 -1.799 1.00 0.00 H new ATOM 435 N ILE A 29 -3.098 -3.529 -0.613 1.00 0.00 N ATOM 436 CA ILE A 29 -3.972 -2.484 -0.104 1.00 0.00 C ATOM 437 C ILE A 29 -5.215 -3.090 0.534 1.00 0.00 C ATOM 438 O ILE A 29 -6.126 -3.544 -0.161 1.00 0.00 O ATOM 439 CB ILE A 29 -4.398 -1.509 -1.220 1.00 0.00 C ATOM 440 CG1 ILE A 29 -3.167 -0.953 -1.939 1.00 0.00 C ATOM 441 CG2 ILE A 29 -5.239 -0.376 -0.649 1.00 0.00 C ATOM 442 CD1 ILE A 29 -3.472 -0.387 -3.309 1.00 0.00 C ATOM 0 H ILE A 29 -2.957 -3.511 -1.623 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.409 -1.929 0.646 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.005 -2.055 -1.942 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.718 -0.173 -1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.426 -1.746 -2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.530 0.301 -1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.133 -0.787 -0.179 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.657 0.170 0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.554 -0.011 -3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.893 -1.170 -3.941 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.190 0.428 -3.214 1.00 0.00 H new ATOM 454 N ALA A 30 -5.248 -3.088 1.860 1.00 0.00 N ATOM 455 CA ALA A 30 -6.382 -3.629 2.594 1.00 0.00 C ATOM 456 C ALA A 30 -7.590 -2.708 2.469 1.00 0.00 C ATOM 457 O ALA A 30 -8.732 -3.148 2.587 1.00 0.00 O ATOM 458 CB ALA A 30 -6.015 -3.838 4.055 1.00 0.00 C ATOM 0 H ALA A 30 -4.502 -2.717 2.449 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.645 -4.595 2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.873 -4.243 4.591 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.181 -4.536 4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.727 -2.884 4.498 1.00 0.00 H new ATOM 464 N ASP A 31 -7.325 -1.425 2.227 1.00 0.00 N ATOM 465 CA ASP A 31 -8.390 -0.440 2.081 1.00 0.00 C ATOM 466 C ASP A 31 -7.843 0.905 1.632 1.00 0.00 C ATOM 467 O ASP A 31 -6.641 1.072 1.427 1.00 0.00 O ATOM 468 CB ASP A 31 -9.128 -0.244 3.407 1.00 0.00 C ATOM 469 CG ASP A 31 -10.328 -1.161 3.550 1.00 0.00 C ATOM 470 OD1 ASP A 31 -10.759 -1.739 2.530 1.00 0.00 O ATOM 471 OD2 ASP A 31 -10.839 -1.297 4.682 1.00 0.00 O ATOM 0 H ASP A 31 -6.383 -1.046 2.128 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.076 -0.821 1.324 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.438 -0.423 4.232 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.456 0.792 3.486 1.00 0.00 H new ATOM 476 N LEU A 32 -8.747 1.863 1.517 1.00 0.00 N ATOM 477 CA LEU A 32 -8.398 3.218 1.134 1.00 0.00 C ATOM 478 C LEU A 32 -9.552 4.152 1.460 1.00 0.00 C ATOM 479 O LEU A 32 -10.714 3.827 1.213 1.00 0.00 O ATOM 480 CB LEU A 32 -8.032 3.321 -0.350 1.00 0.00 C ATOM 481 CG LEU A 32 -8.623 2.245 -1.261 1.00 0.00 C ATOM 482 CD1 LEU A 32 -10.118 2.098 -1.021 1.00 0.00 C ATOM 483 CD2 LEU A 32 -8.340 2.576 -2.717 1.00 0.00 C ATOM 0 H LEU A 32 -9.743 1.722 1.687 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.515 3.511 1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.353 4.296 -0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.946 3.289 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.150 1.292 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.518 1.327 -1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.294 1.816 0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.615 3.046 -1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.766 1.802 -3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.788 3.538 -2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.263 2.625 -2.876 1.00 0.00 H new ATOM 495 N ILE A 33 -9.233 5.308 2.017 1.00 0.00 N ATOM 496 CA ILE A 33 -10.259 6.274 2.374 1.00 0.00 C ATOM 497 C ILE A 33 -10.419 7.306 1.271 1.00 0.00 C ATOM 498 O ILE A 33 -9.628 8.242 1.151 1.00 0.00 O ATOM 499 CB ILE A 33 -9.951 6.979 3.712 1.00 0.00 C ATOM 500 CG1 ILE A 33 -8.494 7.432 3.777 1.00 0.00 C ATOM 501 CG2 ILE A 33 -10.264 6.065 4.875 1.00 0.00 C ATOM 502 CD1 ILE A 33 -8.078 7.925 5.144 1.00 0.00 C ATOM 0 H ILE A 33 -8.279 5.599 2.231 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.192 5.724 2.496 1.00 0.00 H new ATOM 0 HB ILE A 33 -10.584 7.864 3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.850 6.602 3.487 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.336 8.227 3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.041 6.578 5.811 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.320 5.795 4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.657 5.163 4.802 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.032 8.231 5.118 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.698 8.776 5.428 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.204 7.125 5.873 1.00 0.00 H new ATOM 514 N GLN A 34 -11.450 7.109 0.460 1.00 0.00 N ATOM 515 CA GLN A 34 -11.735 7.999 -0.655 1.00 0.00 C ATOM 516 C GLN A 34 -12.072 9.399 -0.159 1.00 0.00 C ATOM 517 O GLN A 34 -12.533 9.576 0.967 1.00 0.00 O ATOM 518 CB GLN A 34 -12.879 7.431 -1.496 1.00 0.00 C ATOM 519 CG GLN A 34 -12.688 5.965 -1.865 1.00 0.00 C ATOM 520 CD GLN A 34 -13.774 5.451 -2.790 1.00 0.00 C ATOM 521 OE1 GLN A 34 -14.420 4.442 -2.508 1.00 0.00 O ATOM 522 NE2 GLN A 34 -13.983 6.147 -3.902 1.00 0.00 N ATOM 0 H GLN A 34 -12.107 6.334 0.556 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.844 8.073 -1.279 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.814 7.541 -0.946 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.975 8.018 -2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.717 5.838 -2.344 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.675 5.364 -0.956 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -13.424 6.978 -4.096 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.702 5.851 -4.562 1.00 0.00 H new ATOM 531 N GLY A 35 -11.815 10.394 -1.001 1.00 0.00 N ATOM 532 CA GLY A 35 -12.074 11.770 -0.621 1.00 0.00 C ATOM 533 C GLY A 35 -10.840 12.433 -0.039 1.00 0.00 C ATOM 534 O GLY A 35 -10.769 13.658 0.061 1.00 0.00 O ATOM 0 H GLY A 35 -11.432 10.272 -1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.412 12.331 -1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.882 11.800 0.110 1.00 0.00 H new ATOM 538 N GLN A 36 -9.861 11.612 0.341 1.00 0.00 N ATOM 539 CA GLN A 36 -8.616 12.104 0.912 1.00 0.00 C ATOM 540 C GLN A 36 -7.698 12.643 -0.179 1.00 0.00 C ATOM 541 O GLN A 36 -7.195 13.761 -0.081 1.00 0.00 O ATOM 542 CB GLN A 36 -7.930 10.982 1.700 1.00 0.00 C ATOM 543 CG GLN A 36 -8.360 10.910 3.155 1.00 0.00 C ATOM 544 CD GLN A 36 -9.865 10.809 3.314 1.00 0.00 C ATOM 545 OE1 GLN A 36 -10.488 9.859 2.840 1.00 0.00 O ATOM 546 NE2 GLN A 36 -10.456 11.790 3.985 1.00 0.00 N ATOM 0 H GLN A 36 -9.911 10.596 0.261 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.839 12.925 1.593 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.145 10.028 1.219 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.850 11.126 1.656 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.890 10.047 3.627 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.001 11.795 3.680 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.900 12.558 4.361 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.466 11.776 4.125 1.00 0.00 H new ATOM 555 N TYR A 37 -7.493 11.855 -1.225 1.00 0.00 N ATOM 556 CA TYR A 37 -6.643 12.278 -2.332 1.00 0.00 C ATOM 557 C TYR A 37 -7.301 11.960 -3.675 1.00 0.00 C ATOM 558 O TYR A 37 -7.911 10.904 -3.843 1.00 0.00 O ATOM 559 CB TYR A 37 -5.276 11.602 -2.241 1.00 0.00 C ATOM 560 CG TYR A 37 -4.231 12.399 -1.484 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.169 13.786 -1.577 1.00 0.00 C ATOM 562 CD2 TYR A 37 -3.288 11.756 -0.691 1.00 0.00 C ATOM 563 CE1 TYR A 37 -3.200 14.502 -0.902 1.00 0.00 C ATOM 564 CE2 TYR A 37 -2.315 12.466 -0.017 1.00 0.00 C ATOM 565 CZ TYR A 37 -2.274 13.839 -0.125 1.00 0.00 C ATOM 566 OH TYR A 37 -1.305 14.550 0.544 1.00 0.00 O ATOM 0 H TYR A 37 -7.900 10.926 -1.332 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.507 13.357 -2.263 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.395 10.632 -1.758 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.910 11.413 -3.250 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.890 14.311 -2.186 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.317 10.680 -0.600 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.168 15.579 -0.983 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.589 11.948 0.592 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.537 14.694 -0.048 1.00 0.00 H new ATOM 576 N PRO A 38 -7.189 12.882 -4.648 1.00 0.00 N ATOM 577 CA PRO A 38 -7.782 12.706 -5.979 1.00 0.00 C ATOM 578 C PRO A 38 -7.113 11.598 -6.790 1.00 0.00 C ATOM 579 O PRO A 38 -7.790 10.726 -7.337 1.00 0.00 O ATOM 580 CB PRO A 38 -7.562 14.064 -6.650 1.00 0.00 C ATOM 581 CG PRO A 38 -6.399 14.662 -5.940 1.00 0.00 C ATOM 582 CD PRO A 38 -6.485 14.172 -4.522 1.00 0.00 C ATOM 0 HA PRO A 38 -8.828 12.407 -5.913 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.358 13.949 -7.715 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.446 14.696 -6.561 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.460 14.357 -6.402 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.435 15.751 -5.980 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.497 14.049 -4.079 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.034 14.869 -3.889 1.00 0.00 H new ATOM 590 N GLU A 39 -5.787 11.639 -6.872 1.00 0.00 N ATOM 591 CA GLU A 39 -5.040 10.636 -7.627 1.00 0.00 C ATOM 592 C GLU A 39 -5.297 9.240 -7.075 1.00 0.00 C ATOM 593 O GLU A 39 -5.601 8.311 -7.823 1.00 0.00 O ATOM 594 CB GLU A 39 -3.543 10.945 -7.589 1.00 0.00 C ATOM 595 CG GLU A 39 -3.114 12.014 -8.580 1.00 0.00 C ATOM 596 CD GLU A 39 -3.245 13.415 -8.018 1.00 0.00 C ATOM 597 OE1 GLU A 39 -2.307 13.868 -7.327 1.00 0.00 O ATOM 598 OE2 GLU A 39 -4.284 14.062 -8.270 1.00 0.00 O ATOM 0 H GLU A 39 -5.209 12.352 -6.428 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.382 10.668 -8.661 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.273 11.266 -6.583 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.987 10.030 -7.792 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.079 11.839 -8.872 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.719 11.931 -9.483 1.00 0.00 H new ATOM 605 N ILE A 40 -5.173 9.100 -5.760 1.00 0.00 N ATOM 606 CA ILE A 40 -5.393 7.818 -5.105 1.00 0.00 C ATOM 607 C ILE A 40 -6.780 7.272 -5.429 1.00 0.00 C ATOM 608 O ILE A 40 -6.926 6.109 -5.806 1.00 0.00 O ATOM 609 CB ILE A 40 -5.233 7.937 -3.579 1.00 0.00 C ATOM 610 CG1 ILE A 40 -3.958 8.720 -3.241 1.00 0.00 C ATOM 611 CG2 ILE A 40 -5.213 6.552 -2.945 1.00 0.00 C ATOM 612 CD1 ILE A 40 -3.517 8.575 -1.804 1.00 0.00 C ATOM 0 H ILE A 40 -4.921 9.859 -5.127 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.640 7.128 -5.484 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.083 8.484 -3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.153 8.384 -3.894 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.123 9.776 -3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.099 6.648 -1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.147 6.037 -3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.378 5.979 -3.348 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.610 9.157 -1.641 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.304 8.938 -1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.318 7.525 -1.589 1.00 0.00 H new ATOM 624 N ASP A 41 -7.791 8.122 -5.290 1.00 0.00 N ATOM 625 CA ASP A 41 -9.164 7.728 -5.582 1.00 0.00 C ATOM 626 C ASP A 41 -9.302 7.315 -7.043 1.00 0.00 C ATOM 627 O ASP A 41 -10.129 6.470 -7.389 1.00 0.00 O ATOM 628 CB ASP A 41 -10.123 8.882 -5.274 1.00 0.00 C ATOM 629 CG ASP A 41 -10.859 8.693 -3.962 1.00 0.00 C ATOM 630 OD1 ASP A 41 -10.855 7.561 -3.435 1.00 0.00 O ATOM 631 OD2 ASP A 41 -11.442 9.679 -3.462 1.00 0.00 O ATOM 0 H ASP A 41 -7.686 9.087 -4.977 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.419 6.876 -4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.563 9.816 -5.241 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.848 8.973 -6.083 1.00 0.00 H new ATOM 636 N SER A 42 -8.482 7.922 -7.896 1.00 0.00 N ATOM 637 CA SER A 42 -8.499 7.632 -9.325 1.00 0.00 C ATOM 638 C SER A 42 -7.388 6.659 -9.708 1.00 0.00 C ATOM 639 O SER A 42 -7.193 6.366 -10.887 1.00 0.00 O ATOM 640 CB SER A 42 -8.329 8.924 -10.119 1.00 0.00 C ATOM 641 OG SER A 42 -9.568 9.598 -10.276 1.00 0.00 O ATOM 0 H SER A 42 -7.794 8.622 -7.619 1.00 0.00 H new ATOM 0 HA SER A 42 -9.459 7.172 -9.560 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.620 9.576 -9.610 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.908 8.699 -11.099 1.00 0.00 H new ATOM 0 HG SER A 42 -9.429 10.423 -10.787 1.00 0.00 H new ATOM 647 N LYS A 43 -6.644 6.182 -8.716 1.00 0.00 N ATOM 648 CA LYS A 43 -5.539 5.272 -8.973 1.00 0.00 C ATOM 649 C LYS A 43 -5.658 3.983 -8.171 1.00 0.00 C ATOM 650 O LYS A 43 -5.904 2.913 -8.730 1.00 0.00 O ATOM 651 CB LYS A 43 -4.220 5.970 -8.644 1.00 0.00 C ATOM 652 CG LYS A 43 -3.806 6.993 -9.684 1.00 0.00 C ATOM 653 CD LYS A 43 -2.510 6.611 -10.377 1.00 0.00 C ATOM 654 CE LYS A 43 -2.770 6.036 -11.760 1.00 0.00 C ATOM 655 NZ LYS A 43 -1.555 6.078 -12.620 1.00 0.00 N ATOM 0 H LYS A 43 -6.787 6.410 -7.732 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.568 5.001 -10.028 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.309 6.463 -7.676 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.434 5.220 -8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.597 7.095 -10.427 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.689 7.966 -9.208 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.868 7.488 -10.461 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.974 5.880 -9.772 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.112 5.005 -11.666 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.573 6.595 -12.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.736 5.557 -13.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.322 7.067 -12.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.758 5.640 -12.116 1.00 0.00 H new ATOM 669 N LEU A 44 -5.452 4.084 -6.867 1.00 0.00 N ATOM 670 CA LEU A 44 -5.502 2.920 -5.993 1.00 0.00 C ATOM 671 C LEU A 44 -6.918 2.388 -5.811 1.00 0.00 C ATOM 672 O LEU A 44 -7.901 3.111 -5.969 1.00 0.00 O ATOM 673 CB LEU A 44 -4.892 3.255 -4.633 1.00 0.00 C ATOM 674 CG LEU A 44 -3.389 3.545 -4.651 1.00 0.00 C ATOM 675 CD1 LEU A 44 -2.817 3.452 -3.248 1.00 0.00 C ATOM 676 CD2 LEU A 44 -2.667 2.586 -5.588 1.00 0.00 C ATOM 0 H LEU A 44 -5.248 4.962 -6.389 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.920 2.134 -6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.409 4.123 -4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.078 2.423 -3.954 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.238 4.559 -5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.748 3.661 -3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.312 4.180 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.981 2.449 -2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.600 2.809 -5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.824 1.561 -5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.060 2.700 -6.598 1.00 0.00 H new ATOM 688 N GLN A 45 -6.995 1.106 -5.466 1.00 0.00 N ATOM 689 CA GLN A 45 -8.265 0.430 -5.242 1.00 0.00 C ATOM 690 C GLN A 45 -8.067 -0.741 -4.283 1.00 0.00 C ATOM 691 O GLN A 45 -6.971 -0.946 -3.765 1.00 0.00 O ATOM 692 CB GLN A 45 -8.848 -0.066 -6.566 1.00 0.00 C ATOM 693 CG GLN A 45 -9.806 0.917 -7.217 1.00 0.00 C ATOM 694 CD GLN A 45 -9.746 0.874 -8.731 1.00 0.00 C ATOM 695 OE1 GLN A 45 -9.677 -0.199 -9.332 1.00 0.00 O ATOM 696 NE2 GLN A 45 -9.771 2.044 -9.358 1.00 0.00 N ATOM 0 H GLN A 45 -6.179 0.509 -5.334 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.966 1.138 -4.800 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.031 -0.276 -7.257 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.369 -1.008 -6.393 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.823 0.698 -6.891 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.573 1.926 -6.876 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.829 2.909 -8.821 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.733 2.078 -10.377 1.00 0.00 H new ATOM 705 N ARG A 46 -9.126 -1.506 -4.052 1.00 0.00 N ATOM 706 CA ARG A 46 -9.047 -2.652 -3.153 1.00 0.00 C ATOM 707 C ARG A 46 -8.722 -3.927 -3.924 1.00 0.00 C ATOM 708 O ARG A 46 -9.492 -4.361 -4.781 1.00 0.00 O ATOM 709 CB ARG A 46 -10.362 -2.819 -2.390 1.00 0.00 C ATOM 710 CG ARG A 46 -10.720 -1.617 -1.531 1.00 0.00 C ATOM 711 CD ARG A 46 -12.004 -1.847 -0.748 1.00 0.00 C ATOM 712 NE ARG A 46 -13.004 -0.817 -1.022 1.00 0.00 N ATOM 713 CZ ARG A 46 -13.809 -0.824 -2.082 1.00 0.00 C ATOM 714 NH1 ARG A 46 -13.738 -1.807 -2.973 1.00 0.00 N ATOM 715 NH2 ARG A 46 -14.689 0.152 -2.253 1.00 0.00 N ATOM 0 H ARG A 46 -10.044 -1.356 -4.471 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.244 -2.469 -2.439 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.167 -2.999 -3.103 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.295 -3.703 -1.755 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.904 -1.408 -0.839 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.833 -0.737 -2.165 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.413 -2.825 -1.001 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.781 -1.861 0.319 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.090 -0.046 -0.360 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.064 -2.562 -2.847 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.358 -1.807 -3.783 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.750 0.909 -1.572 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.306 0.146 -3.065 1.00 0.00 H new ATOM 729 N GLY A 47 -7.576 -4.524 -3.610 1.00 0.00 N ATOM 730 CA GLY A 47 -7.165 -5.747 -4.278 1.00 0.00 C ATOM 731 C GLY A 47 -5.837 -5.607 -5.003 1.00 0.00 C ATOM 732 O GLY A 47 -5.510 -6.421 -5.867 1.00 0.00 O ATOM 0 H GLY A 47 -6.924 -4.182 -2.904 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.089 -6.549 -3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.934 -6.041 -4.992 1.00 0.00 H new ATOM 736 N ASP A 48 -5.070 -4.576 -4.656 1.00 0.00 N ATOM 737 CA ASP A 48 -3.775 -4.342 -5.283 1.00 0.00 C ATOM 738 C ASP A 48 -2.648 -4.486 -4.268 1.00 0.00 C ATOM 739 O ASP A 48 -2.891 -4.539 -3.064 1.00 0.00 O ATOM 740 CB ASP A 48 -3.737 -2.947 -5.904 1.00 0.00 C ATOM 741 CG ASP A 48 -4.556 -2.855 -7.177 1.00 0.00 C ATOM 742 OD1 ASP A 48 -5.526 -3.630 -7.313 1.00 0.00 O ATOM 743 OD2 ASP A 48 -4.229 -2.009 -8.033 1.00 0.00 O ATOM 0 H ASP A 48 -5.324 -3.891 -3.944 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.635 -5.088 -6.065 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.111 -2.221 -5.182 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.703 -2.677 -6.121 1.00 0.00 H new ATOM 748 N ILE A 49 -1.417 -4.554 -4.764 1.00 0.00 N ATOM 749 CA ILE A 49 -0.248 -4.696 -3.900 1.00 0.00 C ATOM 750 C ILE A 49 0.881 -3.784 -4.359 1.00 0.00 C ATOM 751 O ILE A 49 1.361 -3.898 -5.487 1.00 0.00 O ATOM 752 CB ILE A 49 0.271 -6.147 -3.878 1.00 0.00 C ATOM 753 CG1 ILE A 49 -0.895 -7.138 -3.796 1.00 0.00 C ATOM 754 CG2 ILE A 49 1.233 -6.348 -2.715 1.00 0.00 C ATOM 755 CD1 ILE A 49 -1.133 -7.896 -5.082 1.00 0.00 C ATOM 0 H ILE A 49 -1.202 -4.513 -5.760 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.566 -4.416 -2.896 1.00 0.00 H new ATOM 0 HB ILE A 49 0.810 -6.335 -4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.700 -7.850 -2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.803 -6.597 -3.529 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.591 -7.378 -2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.080 -5.670 -2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.718 -6.141 -1.777 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.972 -8.579 -4.952 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.359 -7.192 -5.883 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.239 -8.464 -5.340 1.00 0.00 H new ATOM 767 N ILE A 50 1.314 -2.885 -3.484 1.00 0.00 N ATOM 768 CA ILE A 50 2.393 -1.968 -3.822 1.00 0.00 C ATOM 769 C ILE A 50 3.729 -2.693 -3.824 1.00 0.00 C ATOM 770 O ILE A 50 4.323 -2.932 -2.774 1.00 0.00 O ATOM 771 CB ILE A 50 2.463 -0.783 -2.841 1.00 0.00 C ATOM 772 CG1 ILE A 50 1.093 -0.119 -2.715 1.00 0.00 C ATOM 773 CG2 ILE A 50 3.507 0.225 -3.299 1.00 0.00 C ATOM 774 CD1 ILE A 50 0.845 0.492 -1.357 1.00 0.00 C ATOM 0 H ILE A 50 0.938 -2.772 -2.543 1.00 0.00 H new ATOM 0 HA ILE A 50 2.183 -1.581 -4.819 1.00 0.00 H new ATOM 0 HB ILE A 50 2.757 -1.158 -1.861 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.002 0.656 -3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.319 -0.859 -2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.544 1.056 -2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.484 -0.257 -3.343 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.242 0.599 -4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.146 0.946 -1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.904 -0.283 -0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.598 1.255 -1.158 1.00 0.00 H new ATOM 786 N THR A 51 4.192 -3.037 -5.017 1.00 0.00 N ATOM 787 CA THR A 51 5.459 -3.743 -5.174 1.00 0.00 C ATOM 788 C THR A 51 6.601 -2.772 -5.468 1.00 0.00 C ATOM 789 O THR A 51 7.762 -3.172 -5.553 1.00 0.00 O ATOM 790 CB THR A 51 5.348 -4.786 -6.289 1.00 0.00 C ATOM 791 OG1 THR A 51 5.413 -4.168 -7.562 1.00 0.00 O ATOM 792 CG2 THR A 51 4.067 -5.589 -6.233 1.00 0.00 C ATOM 0 H THR A 51 3.709 -2.839 -5.893 1.00 0.00 H new ATOM 0 HA THR A 51 5.682 -4.249 -4.235 1.00 0.00 H new ATOM 0 HB THR A 51 6.188 -5.463 -6.135 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.342 -4.851 -8.261 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.053 -6.309 -7.051 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.011 -6.119 -5.282 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.213 -4.918 -6.326 1.00 0.00 H new ATOM 800 N LYS A 52 6.266 -1.492 -5.609 1.00 0.00 N ATOM 801 CA LYS A 52 7.259 -0.461 -5.879 1.00 0.00 C ATOM 802 C LYS A 52 6.874 0.831 -5.170 1.00 0.00 C ATOM 803 O LYS A 52 5.693 1.158 -5.057 1.00 0.00 O ATOM 804 CB LYS A 52 7.392 -0.218 -7.385 1.00 0.00 C ATOM 805 CG LYS A 52 8.733 -0.652 -7.954 1.00 0.00 C ATOM 806 CD LYS A 52 9.529 0.534 -8.478 1.00 0.00 C ATOM 807 CE LYS A 52 11.026 0.291 -8.371 1.00 0.00 C ATOM 808 NZ LYS A 52 11.761 0.825 -9.551 1.00 0.00 N ATOM 0 H LYS A 52 5.309 -1.145 -5.540 1.00 0.00 H new ATOM 0 HA LYS A 52 8.223 -0.801 -5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.596 -0.753 -7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.247 0.843 -7.588 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.308 -1.164 -7.182 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.572 -1.368 -8.760 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.263 0.721 -9.518 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.263 1.429 -7.915 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.406 0.760 -7.464 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.215 -0.779 -8.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.775 0.889 -9.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.624 0.189 -10.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.398 1.771 -9.787 1.00 0.00 H new ATOM 822 N PHE A 53 7.870 1.560 -4.683 1.00 0.00 N ATOM 823 CA PHE A 53 7.615 2.807 -3.975 1.00 0.00 C ATOM 824 C PHE A 53 8.767 3.791 -4.150 1.00 0.00 C ATOM 825 O PHE A 53 9.868 3.573 -3.645 1.00 0.00 O ATOM 826 CB PHE A 53 7.383 2.518 -2.491 1.00 0.00 C ATOM 827 CG PHE A 53 7.175 3.747 -1.657 1.00 0.00 C ATOM 828 CD1 PHE A 53 8.257 4.487 -1.213 1.00 0.00 C ATOM 829 CD2 PHE A 53 5.897 4.156 -1.314 1.00 0.00 C ATOM 830 CE1 PHE A 53 8.069 5.616 -0.442 1.00 0.00 C ATOM 831 CE2 PHE A 53 5.703 5.284 -0.544 1.00 0.00 C ATOM 832 CZ PHE A 53 6.790 6.015 -0.107 1.00 0.00 C ATOM 0 H PHE A 53 8.856 1.311 -4.765 1.00 0.00 H new ATOM 0 HA PHE A 53 6.722 3.266 -4.399 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.512 1.870 -2.389 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.238 1.966 -2.100 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.259 4.178 -1.473 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.044 3.586 -1.653 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.920 6.186 -0.101 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.702 5.595 -0.283 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.640 6.898 0.496 1.00 0.00 H new ATOM 842 N ASN A 54 8.501 4.878 -4.873 1.00 0.00 N ATOM 843 CA ASN A 54 9.507 5.905 -5.119 1.00 0.00 C ATOM 844 C ASN A 54 10.778 5.300 -5.712 1.00 0.00 C ATOM 845 O ASN A 54 11.888 5.609 -5.277 1.00 0.00 O ATOM 846 CB ASN A 54 9.829 6.651 -3.821 1.00 0.00 C ATOM 847 CG ASN A 54 9.663 8.152 -3.959 1.00 0.00 C ATOM 848 OD1 ASN A 54 10.569 8.848 -4.417 1.00 0.00 O ATOM 849 ND2 ASN A 54 8.502 8.659 -3.561 1.00 0.00 N ATOM 0 H ASN A 54 7.594 5.069 -5.299 1.00 0.00 H new ATOM 0 HA ASN A 54 9.101 6.611 -5.843 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.178 6.288 -3.026 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.853 6.428 -3.521 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.334 9.663 -3.629 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.779 8.045 -3.187 1.00 0.00 H new ATOM 856 N GLY A 55 10.608 4.435 -6.707 1.00 0.00 N ATOM 857 CA GLY A 55 11.748 3.800 -7.340 1.00 0.00 C ATOM 858 C GLY A 55 12.431 2.799 -6.429 1.00 0.00 C ATOM 859 O GLY A 55 13.615 2.503 -6.596 1.00 0.00 O ATOM 0 H GLY A 55 9.701 4.163 -7.086 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.421 3.296 -8.249 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.466 4.564 -7.640 1.00 0.00 H new ATOM 863 N ASP A 56 11.683 2.274 -5.463 1.00 0.00 N ATOM 864 CA ASP A 56 12.220 1.300 -4.522 1.00 0.00 C ATOM 865 C ASP A 56 11.351 0.048 -4.488 1.00 0.00 C ATOM 866 O ASP A 56 10.265 0.050 -3.908 1.00 0.00 O ATOM 867 CB ASP A 56 12.315 1.907 -3.122 1.00 0.00 C ATOM 868 CG ASP A 56 13.407 1.269 -2.288 1.00 0.00 C ATOM 869 OD1 ASP A 56 14.531 1.107 -2.807 1.00 0.00 O ATOM 870 OD2 ASP A 56 13.138 0.930 -1.116 1.00 0.00 O ATOM 0 H ASP A 56 10.702 2.508 -5.312 1.00 0.00 H new ATOM 0 HA ASP A 56 13.220 1.021 -4.855 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.504 2.977 -3.205 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.358 1.791 -2.613 1.00 0.00 H new ATOM 875 N ALA A 57 11.833 -1.019 -5.115 1.00 0.00 N ATOM 876 CA ALA A 57 11.100 -2.279 -5.161 1.00 0.00 C ATOM 877 C ALA A 57 10.751 -2.766 -3.759 1.00 0.00 C ATOM 878 O ALA A 57 11.633 -3.058 -2.952 1.00 0.00 O ATOM 879 CB ALA A 57 11.911 -3.332 -5.899 1.00 0.00 C ATOM 0 H ALA A 57 12.730 -1.037 -5.600 1.00 0.00 H new ATOM 0 HA ALA A 57 10.168 -2.108 -5.699 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.353 -4.268 -5.926 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.104 -2.995 -6.917 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.858 -3.489 -5.383 1.00 0.00 H new ATOM 885 N LEU A 58 9.453 -2.858 -3.477 1.00 0.00 N ATOM 886 CA LEU A 58 8.985 -3.316 -2.175 1.00 0.00 C ATOM 887 C LEU A 58 8.735 -4.825 -2.183 1.00 0.00 C ATOM 888 O LEU A 58 8.043 -5.352 -1.313 1.00 0.00 O ATOM 889 CB LEU A 58 7.700 -2.579 -1.781 1.00 0.00 C ATOM 890 CG LEU A 58 7.695 -1.075 -2.073 1.00 0.00 C ATOM 891 CD1 LEU A 58 6.274 -0.526 -2.049 1.00 0.00 C ATOM 892 CD2 LEU A 58 8.570 -0.331 -1.073 1.00 0.00 C ATOM 0 H LEU A 58 8.709 -2.621 -4.133 1.00 0.00 H new ATOM 0 HA LEU A 58 9.762 -3.097 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.862 -3.038 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.528 -2.726 -0.715 1.00 0.00 H new ATOM 0 HG LEU A 58 8.105 -0.921 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.294 0.543 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.675 -1.033 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.835 -0.695 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.553 0.735 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.191 -0.496 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.594 -0.700 -1.140 1.00 0.00 H new ATOM 904 N GLU A 59 9.299 -5.517 -3.172 1.00 0.00 N ATOM 905 CA GLU A 59 9.131 -6.962 -3.290 1.00 0.00 C ATOM 906 C GLU A 59 10.184 -7.708 -2.479 1.00 0.00 C ATOM 907 O GLU A 59 11.381 -7.462 -2.620 1.00 0.00 O ATOM 908 CB GLU A 59 9.207 -7.386 -4.757 1.00 0.00 C ATOM 909 CG GLU A 59 8.752 -8.815 -5.002 1.00 0.00 C ATOM 910 CD GLU A 59 9.433 -9.448 -6.199 1.00 0.00 C ATOM 911 OE1 GLU A 59 9.437 -8.823 -7.280 1.00 0.00 O ATOM 912 OE2 GLU A 59 9.963 -10.570 -6.057 1.00 0.00 O ATOM 0 H GLU A 59 9.876 -5.099 -3.902 1.00 0.00 H new ATOM 0 HA GLU A 59 8.149 -7.218 -2.892 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.594 -6.711 -5.354 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.234 -7.276 -5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.955 -9.414 -4.114 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.673 -8.827 -5.154 1.00 0.00 H new ATOM 919 N GLY A 60 9.726 -8.625 -1.633 1.00 0.00 N ATOM 920 CA GLY A 60 10.638 -9.400 -0.812 1.00 0.00 C ATOM 921 C GLY A 60 10.861 -8.787 0.558 1.00 0.00 C ATOM 922 O GLY A 60 11.224 -9.485 1.505 1.00 0.00 O ATOM 0 H GLY A 60 8.739 -8.845 -1.501 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.245 -10.410 -0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.595 -9.489 -1.325 1.00 0.00 H new ATOM 926 N LEU A 61 10.644 -7.479 0.665 1.00 0.00 N ATOM 927 CA LEU A 61 10.828 -6.776 1.929 1.00 0.00 C ATOM 928 C LEU A 61 9.590 -6.908 2.814 1.00 0.00 C ATOM 929 O LEU A 61 8.479 -7.094 2.319 1.00 0.00 O ATOM 930 CB LEU A 61 11.129 -5.298 1.674 1.00 0.00 C ATOM 931 CG LEU A 61 12.107 -5.024 0.532 1.00 0.00 C ATOM 932 CD1 LEU A 61 12.214 -3.531 0.266 1.00 0.00 C ATOM 933 CD2 LEU A 61 13.475 -5.611 0.851 1.00 0.00 C ATOM 0 H LEU A 61 10.341 -6.886 -0.108 1.00 0.00 H new ATOM 0 HA LEU A 61 11.673 -7.230 2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.192 -4.784 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.531 -4.862 2.589 1.00 0.00 H new ATOM 0 HG LEU A 61 11.728 -5.505 -0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.915 -3.356 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.234 -3.139 -0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.570 -3.026 1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.159 -5.407 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.861 -5.158 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.385 -6.688 0.990 1.00 0.00 H new ATOM 945 N PRO A 62 9.769 -6.810 4.144 1.00 0.00 N ATOM 946 CA PRO A 62 8.661 -6.914 5.100 1.00 0.00 C ATOM 947 C PRO A 62 7.666 -5.770 4.956 1.00 0.00 C ATOM 948 O PRO A 62 7.764 -4.964 4.031 1.00 0.00 O ATOM 949 CB PRO A 62 9.353 -6.847 6.466 1.00 0.00 C ATOM 950 CG PRO A 62 10.656 -6.174 6.204 1.00 0.00 C ATOM 951 CD PRO A 62 11.061 -6.584 4.817 1.00 0.00 C ATOM 0 HA PRO A 62 8.080 -7.823 4.948 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.756 -6.285 7.184 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.500 -7.843 6.884 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.558 -5.091 6.278 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.406 -6.477 6.935 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.643 -5.807 4.321 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.674 -7.485 4.826 1.00 0.00 H new ATOM 959 N PHE A 63 6.714 -5.698 5.879 1.00 0.00 N ATOM 960 CA PHE A 63 5.709 -4.643 5.852 1.00 0.00 C ATOM 961 C PHE A 63 6.158 -3.450 6.685 1.00 0.00 C ATOM 962 O PHE A 63 5.788 -2.312 6.403 1.00 0.00 O ATOM 963 CB PHE A 63 4.365 -5.156 6.367 1.00 0.00 C ATOM 964 CG PHE A 63 3.270 -4.130 6.289 1.00 0.00 C ATOM 965 CD1 PHE A 63 3.072 -3.226 7.321 1.00 0.00 C ATOM 966 CD2 PHE A 63 2.439 -4.069 5.182 1.00 0.00 C ATOM 967 CE1 PHE A 63 2.067 -2.280 7.248 1.00 0.00 C ATOM 968 CE2 PHE A 63 1.432 -3.126 5.105 1.00 0.00 C ATOM 969 CZ PHE A 63 1.246 -2.232 6.141 1.00 0.00 C ATOM 0 H PHE A 63 6.617 -6.355 6.653 1.00 0.00 H new ATOM 0 HA PHE A 63 5.589 -4.326 4.816 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.073 -6.034 5.790 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.479 -5.478 7.402 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.710 -3.261 8.192 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.580 -4.767 4.370 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.925 -1.579 8.057 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.792 -3.088 4.236 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.458 -1.496 6.084 1.00 0.00 H new ATOM 979 N GLN A 64 6.960 -3.714 7.712 1.00 0.00 N ATOM 980 CA GLN A 64 7.460 -2.654 8.579 1.00 0.00 C ATOM 981 C GLN A 64 8.146 -1.568 7.757 1.00 0.00 C ATOM 982 O GLN A 64 7.942 -0.375 7.989 1.00 0.00 O ATOM 983 CB GLN A 64 8.435 -3.224 9.612 1.00 0.00 C ATOM 984 CG GLN A 64 9.472 -4.165 9.019 1.00 0.00 C ATOM 985 CD GLN A 64 9.603 -5.457 9.802 1.00 0.00 C ATOM 986 OE1 GLN A 64 9.489 -6.549 9.245 1.00 0.00 O ATOM 987 NE2 GLN A 64 9.844 -5.338 11.103 1.00 0.00 N ATOM 0 H GLN A 64 7.277 -4.651 7.963 1.00 0.00 H new ATOM 0 HA GLN A 64 6.612 -2.212 9.102 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.947 -2.400 10.109 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.870 -3.756 10.377 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.201 -4.395 7.988 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.439 -3.662 8.990 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.931 -4.413 11.523 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.942 -6.172 11.682 1.00 0.00 H new ATOM 996 N VAL A 65 8.952 -1.991 6.789 1.00 0.00 N ATOM 997 CA VAL A 65 9.660 -1.054 5.926 1.00 0.00 C ATOM 998 C VAL A 65 8.680 -0.256 5.071 1.00 0.00 C ATOM 999 O VAL A 65 8.787 0.964 4.962 1.00 0.00 O ATOM 1000 CB VAL A 65 10.666 -1.780 5.009 1.00 0.00 C ATOM 1001 CG1 VAL A 65 9.952 -2.770 4.101 1.00 0.00 C ATOM 1002 CG2 VAL A 65 11.467 -0.777 4.192 1.00 0.00 C ATOM 0 H VAL A 65 9.131 -2.974 6.583 1.00 0.00 H new ATOM 0 HA VAL A 65 10.209 -0.372 6.575 1.00 0.00 H new ATOM 0 HB VAL A 65 11.360 -2.338 5.638 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.681 -3.270 3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.432 -3.511 4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.231 -2.239 3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.171 -1.309 3.552 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.790 -0.187 3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.015 -0.116 4.863 1.00 0.00 H new ATOM 1012 N CYS A 66 7.718 -0.955 4.474 1.00 0.00 N ATOM 1013 CA CYS A 66 6.712 -0.312 3.636 1.00 0.00 C ATOM 1014 C CYS A 66 5.916 0.708 4.439 1.00 0.00 C ATOM 1015 O CYS A 66 5.750 1.853 4.022 1.00 0.00 O ATOM 1016 CB CYS A 66 5.771 -1.359 3.037 1.00 0.00 C ATOM 1017 SG CYS A 66 6.560 -2.469 1.850 1.00 0.00 S ATOM 0 H CYS A 66 7.615 -1.966 4.556 1.00 0.00 H new ATOM 0 HA CYS A 66 7.223 0.208 2.826 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.345 -1.953 3.845 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.943 -0.848 2.545 1.00 0.00 H new ATOM 0 HG CYS A 66 7.098 -3.469 2.483 1.00 0.00 H new ATOM 1023 N TYR A 67 5.429 0.284 5.600 1.00 0.00 N ATOM 1024 CA TYR A 67 4.656 1.157 6.470 1.00 0.00 C ATOM 1025 C TYR A 67 5.473 2.389 6.859 1.00 0.00 C ATOM 1026 O TYR A 67 4.925 3.470 7.071 1.00 0.00 O ATOM 1027 CB TYR A 67 4.223 0.405 7.729 1.00 0.00 C ATOM 1028 CG TYR A 67 3.117 1.095 8.495 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.906 1.396 7.884 1.00 0.00 C ATOM 1030 CD2 TYR A 67 3.285 1.448 9.828 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.895 2.028 8.580 1.00 0.00 C ATOM 1032 CE2 TYR A 67 2.277 2.080 10.531 1.00 0.00 C ATOM 1033 CZ TYR A 67 1.084 2.368 9.902 1.00 0.00 C ATOM 1034 OH TYR A 67 0.077 2.997 10.599 1.00 0.00 O ATOM 0 H TYR A 67 5.557 -0.662 5.959 1.00 0.00 H new ATOM 0 HA TYR A 67 3.769 1.481 5.926 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.891 -0.595 7.449 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.086 0.283 8.384 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.753 1.131 6.848 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.219 1.225 10.323 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.040 2.255 8.090 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.423 2.347 11.567 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.438 3.565 9.989 1.00 0.00 H new ATOM 1044 N ALA A 68 6.789 2.208 6.963 1.00 0.00 N ATOM 1045 CA ALA A 68 7.685 3.296 7.344 1.00 0.00 C ATOM 1046 C ALA A 68 7.865 4.315 6.222 1.00 0.00 C ATOM 1047 O ALA A 68 7.711 5.516 6.441 1.00 0.00 O ATOM 1048 CB ALA A 68 9.036 2.734 7.755 1.00 0.00 C ATOM 0 H ALA A 68 7.257 1.319 6.789 1.00 0.00 H new ATOM 0 HA ALA A 68 7.228 3.815 8.187 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.699 3.551 8.038 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.907 2.061 8.603 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.472 2.186 6.919 1.00 0.00 H new ATOM 1054 N LEU A 69 8.193 3.841 5.023 1.00 0.00 N ATOM 1055 CA LEU A 69 8.389 4.740 3.891 1.00 0.00 C ATOM 1056 C LEU A 69 7.072 5.388 3.492 1.00 0.00 C ATOM 1057 O LEU A 69 7.033 6.565 3.128 1.00 0.00 O ATOM 1058 CB LEU A 69 9.002 4.003 2.696 1.00 0.00 C ATOM 1059 CG LEU A 69 8.408 2.625 2.401 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.675 2.630 1.069 1.00 0.00 C ATOM 1061 CD2 LEU A 69 9.500 1.563 2.407 1.00 0.00 C ATOM 0 H LEU A 69 8.327 2.852 4.812 1.00 0.00 H new ATOM 0 HA LEU A 69 9.086 5.519 4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.889 4.626 1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.072 3.889 2.871 1.00 0.00 H new ATOM 0 HG LEU A 69 7.689 2.386 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.260 1.640 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.868 3.362 1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.371 2.891 0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.061 0.588 2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.242 1.800 1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.980 1.540 3.385 1.00 0.00 H new ATOM 1073 N PHE A 70 5.989 4.623 3.580 1.00 0.00 N ATOM 1074 CA PHE A 70 4.670 5.140 3.245 1.00 0.00 C ATOM 1075 C PHE A 70 4.258 6.194 4.265 1.00 0.00 C ATOM 1076 O PHE A 70 3.591 7.174 3.930 1.00 0.00 O ATOM 1077 CB PHE A 70 3.642 4.008 3.204 1.00 0.00 C ATOM 1078 CG PHE A 70 3.427 3.449 1.826 1.00 0.00 C ATOM 1079 CD1 PHE A 70 2.679 4.147 0.891 1.00 0.00 C ATOM 1080 CD2 PHE A 70 3.978 2.230 1.463 1.00 0.00 C ATOM 1081 CE1 PHE A 70 2.486 3.640 -0.380 1.00 0.00 C ATOM 1082 CE2 PHE A 70 3.785 1.718 0.194 1.00 0.00 C ATOM 1083 CZ PHE A 70 3.039 2.425 -0.729 1.00 0.00 C ATOM 0 H PHE A 70 5.999 3.648 3.879 1.00 0.00 H new ATOM 0 HA PHE A 70 4.711 5.597 2.256 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.968 3.206 3.867 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.692 4.375 3.592 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.242 5.098 1.159 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.565 1.674 2.180 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.902 4.195 -1.100 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.217 0.766 -0.076 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.889 2.027 -1.722 1.00 0.00 H new ATOM 1093 N LYS A 71 4.678 5.990 5.511 1.00 0.00 N ATOM 1094 CA LYS A 71 4.375 6.927 6.585 1.00 0.00 C ATOM 1095 C LYS A 71 5.360 8.092 6.564 1.00 0.00 C ATOM 1096 O LYS A 71 5.028 9.209 6.960 1.00 0.00 O ATOM 1097 CB LYS A 71 4.431 6.223 7.942 1.00 0.00 C ATOM 1098 CG LYS A 71 3.146 5.501 8.312 1.00 0.00 C ATOM 1099 CD LYS A 71 3.032 5.297 9.815 1.00 0.00 C ATOM 1100 CE LYS A 71 4.237 4.556 10.373 1.00 0.00 C ATOM 1101 NZ LYS A 71 4.037 4.155 11.793 1.00 0.00 N ATOM 0 H LYS A 71 5.230 5.182 5.800 1.00 0.00 H new ATOM 0 HA LYS A 71 3.367 7.312 6.431 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.251 5.505 7.935 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.658 6.959 8.713 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.290 6.075 7.956 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.113 4.534 7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.939 6.265 10.308 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.124 4.737 10.039 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.428 3.669 9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.120 5.190 10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.922 4.296 12.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.285 4.736 12.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.764 3.152 11.835 1.00 0.00 H new ATOM 1115 N GLY A 72 6.575 7.817 6.098 1.00 0.00 N ATOM 1116 CA GLY A 72 7.597 8.844 6.030 1.00 0.00 C ATOM 1117 C GLY A 72 7.633 9.544 4.684 1.00 0.00 C ATOM 1118 O GLY A 72 8.604 10.226 4.359 1.00 0.00 O ATOM 0 H GLY A 72 6.869 6.899 5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.419 9.581 6.814 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.571 8.396 6.228 1.00 0.00 H new ATOM 1122 N ALA A 73 6.570 9.381 3.901 1.00 0.00 N ATOM 1123 CA ALA A 73 6.482 10.009 2.590 1.00 0.00 C ATOM 1124 C ALA A 73 6.117 11.483 2.725 1.00 0.00 C ATOM 1125 O ALA A 73 5.265 11.848 3.535 1.00 0.00 O ATOM 1126 CB ALA A 73 5.464 9.284 1.726 1.00 0.00 C ATOM 0 H ALA A 73 5.758 8.818 4.154 1.00 0.00 H new ATOM 0 HA ALA A 73 7.457 9.942 2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.408 9.764 0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.766 8.244 1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.486 9.323 2.206 1.00 0.00 H new ATOM 1132 N ASN A 74 6.767 12.330 1.935 1.00 0.00 N ATOM 1133 CA ASN A 74 6.503 13.763 1.973 1.00 0.00 C ATOM 1134 C ASN A 74 7.182 14.469 0.806 1.00 0.00 C ATOM 1135 O ASN A 74 8.384 14.734 0.838 1.00 0.00 O ATOM 1136 CB ASN A 74 6.967 14.371 3.297 1.00 0.00 C ATOM 1137 CG ASN A 74 8.386 13.978 3.650 1.00 0.00 C ATOM 1138 OD1 ASN A 74 9.328 14.738 3.434 1.00 0.00 O ATOM 1139 ND2 ASN A 74 8.539 12.782 4.197 1.00 0.00 N ATOM 0 H ASN A 74 7.480 12.049 1.261 1.00 0.00 H new ATOM 0 HA ASN A 74 5.426 13.904 1.887 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.898 15.457 3.238 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.296 14.052 4.095 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.469 12.456 4.459 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.726 12.187 4.357 1.00 0.00 H new ATOM 1146 N GLY A 75 6.401 14.758 -0.223 1.00 0.00 N ATOM 1147 CA GLY A 75 6.928 15.424 -1.400 1.00 0.00 C ATOM 1148 C GLY A 75 6.858 14.541 -2.630 1.00 0.00 C ATOM 1149 O GLY A 75 7.860 13.954 -3.037 1.00 0.00 O ATOM 0 H GLY A 75 5.405 14.542 -0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.367 16.341 -1.580 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.963 15.714 -1.220 1.00 0.00 H new ATOM 1153 N LYS A 76 5.669 14.440 -3.215 1.00 0.00 N ATOM 1154 CA LYS A 76 5.465 13.614 -4.395 1.00 0.00 C ATOM 1155 C LYS A 76 5.775 12.153 -4.078 1.00 0.00 C ATOM 1156 O LYS A 76 6.915 11.798 -3.779 1.00 0.00 O ATOM 1157 CB LYS A 76 6.340 14.112 -5.543 1.00 0.00 C ATOM 1158 CG LYS A 76 5.652 14.061 -6.897 1.00 0.00 C ATOM 1159 CD LYS A 76 4.952 15.374 -7.219 1.00 0.00 C ATOM 1160 CE LYS A 76 3.440 15.213 -7.232 1.00 0.00 C ATOM 1161 NZ LYS A 76 2.960 14.577 -8.489 1.00 0.00 N ATOM 0 H LYS A 76 4.831 14.922 -2.889 1.00 0.00 H new ATOM 0 HA LYS A 76 4.421 13.686 -4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.645 15.138 -5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.249 13.511 -5.583 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.387 13.840 -7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.925 13.249 -6.906 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.232 16.127 -6.482 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.288 15.738 -8.190 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.132 14.609 -6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.970 16.190 -7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.925 14.485 -8.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.231 15.166 -9.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.388 13.634 -8.587 1.00 0.00 H new ATOM 1175 N VAL A 77 4.746 11.316 -4.128 1.00 0.00 N ATOM 1176 CA VAL A 77 4.892 9.896 -3.826 1.00 0.00 C ATOM 1177 C VAL A 77 4.388 9.024 -4.970 1.00 0.00 C ATOM 1178 O VAL A 77 3.184 8.909 -5.186 1.00 0.00 O ATOM 1179 CB VAL A 77 4.119 9.519 -2.548 1.00 0.00 C ATOM 1180 CG1 VAL A 77 5.032 9.566 -1.338 1.00 0.00 C ATOM 1181 CG2 VAL A 77 2.920 10.428 -2.353 1.00 0.00 C ATOM 0 H VAL A 77 3.797 11.597 -4.376 1.00 0.00 H new ATOM 0 HA VAL A 77 5.957 9.717 -3.680 1.00 0.00 H new ATOM 0 HB VAL A 77 3.753 8.498 -2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.467 9.297 -0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.853 8.862 -1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.433 10.573 -1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.390 10.142 -1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.257 11.461 -2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.250 10.335 -3.208 1.00 0.00 H new ATOM 1191 N SER A 78 5.316 8.396 -5.684 1.00 0.00 N ATOM 1192 CA SER A 78 4.960 7.519 -6.796 1.00 0.00 C ATOM 1193 C SER A 78 5.075 6.057 -6.375 1.00 0.00 C ATOM 1194 O SER A 78 6.173 5.550 -6.158 1.00 0.00 O ATOM 1195 CB SER A 78 5.866 7.792 -7.998 1.00 0.00 C ATOM 1196 OG SER A 78 5.468 7.024 -9.120 1.00 0.00 O ATOM 0 H SER A 78 6.318 8.477 -5.514 1.00 0.00 H new ATOM 0 HA SER A 78 3.928 7.722 -7.081 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.833 8.852 -8.249 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.899 7.557 -7.740 1.00 0.00 H new ATOM 0 HG SER A 78 6.061 7.217 -9.876 1.00 0.00 H new ATOM 1202 N MET A 79 3.932 5.388 -6.248 1.00 0.00 N ATOM 1203 CA MET A 79 3.911 3.990 -5.833 1.00 0.00 C ATOM 1204 C MET A 79 3.345 3.089 -6.926 1.00 0.00 C ATOM 1205 O MET A 79 2.219 3.285 -7.381 1.00 0.00 O ATOM 1206 CB MET A 79 3.082 3.827 -4.557 1.00 0.00 C ATOM 1207 CG MET A 79 3.097 5.052 -3.657 1.00 0.00 C ATOM 1208 SD MET A 79 1.725 6.172 -3.987 1.00 0.00 S ATOM 1209 CE MET A 79 0.648 5.794 -2.608 1.00 0.00 C ATOM 0 H MET A 79 3.012 5.790 -6.426 1.00 0.00 H new ATOM 0 HA MET A 79 4.941 3.690 -5.641 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.051 3.601 -4.830 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.458 2.971 -3.997 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.058 4.733 -2.615 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.038 5.586 -3.792 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.199 6.481 -2.609 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.285 4.770 -2.700 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.201 5.901 -1.675 1.00 0.00 H new ATOM 1219 N GLU A 80 4.122 2.087 -7.331 1.00 0.00 N ATOM 1220 CA GLU A 80 3.677 1.151 -8.358 1.00 0.00 C ATOM 1221 C GLU A 80 2.885 0.012 -7.728 1.00 0.00 C ATOM 1222 O GLU A 80 3.450 -0.867 -7.078 1.00 0.00 O ATOM 1223 CB GLU A 80 4.865 0.592 -9.147 1.00 0.00 C ATOM 1224 CG GLU A 80 4.781 0.857 -10.641 1.00 0.00 C ATOM 1225 CD GLU A 80 6.139 0.833 -11.314 1.00 0.00 C ATOM 1226 OE1 GLU A 80 6.931 -0.086 -11.019 1.00 0.00 O ATOM 1227 OE2 GLU A 80 6.409 1.731 -12.141 1.00 0.00 O ATOM 0 H GLU A 80 5.057 1.904 -6.966 1.00 0.00 H new ATOM 0 HA GLU A 80 3.032 1.692 -9.050 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.786 1.029 -8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.928 -0.483 -8.980 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.137 0.109 -11.103 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.314 1.827 -10.809 1.00 0.00 H new ATOM 1234 N VAL A 81 1.572 0.041 -7.917 1.00 0.00 N ATOM 1235 CA VAL A 81 0.697 -0.985 -7.361 1.00 0.00 C ATOM 1236 C VAL A 81 0.396 -2.077 -8.378 1.00 0.00 C ATOM 1237 O VAL A 81 0.235 -1.808 -9.568 1.00 0.00 O ATOM 1238 CB VAL A 81 -0.631 -0.396 -6.851 1.00 0.00 C ATOM 1239 CG1 VAL A 81 -0.481 0.096 -5.422 1.00 0.00 C ATOM 1240 CG2 VAL A 81 -1.107 0.720 -7.757 1.00 0.00 C ATOM 0 H VAL A 81 1.089 0.763 -8.451 1.00 0.00 H new ATOM 0 HA VAL A 81 1.237 -1.417 -6.519 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.383 -1.185 -6.864 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.429 0.509 -5.078 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.193 -0.736 -4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.287 0.868 -5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.047 1.121 -7.377 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.358 1.512 -7.783 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.259 0.331 -8.764 1.00 0.00 H new ATOM 1250 N THR A 82 0.321 -3.311 -7.896 1.00 0.00 N ATOM 1251 CA THR A 82 0.041 -4.457 -8.751 1.00 0.00 C ATOM 1252 C THR A 82 -1.363 -4.995 -8.488 1.00 0.00 C ATOM 1253 O THR A 82 -1.686 -5.388 -7.367 1.00 0.00 O ATOM 1254 CB THR A 82 1.079 -5.557 -8.510 1.00 0.00 C ATOM 1255 OG1 THR A 82 2.387 -5.093 -8.797 1.00 0.00 O ATOM 1256 CG2 THR A 82 0.841 -6.801 -9.338 1.00 0.00 C ATOM 0 H THR A 82 0.451 -3.544 -6.912 1.00 0.00 H new ATOM 0 HA THR A 82 0.098 -4.135 -9.791 1.00 0.00 H new ATOM 0 HB THR A 82 0.977 -5.817 -7.456 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.335 -4.221 -9.241 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.613 -7.538 -9.117 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.137 -7.217 -9.097 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.876 -6.545 -10.397 1.00 0.00 H new ATOM 1264 N ARG A 83 -2.193 -5.008 -9.526 1.00 0.00 N ATOM 1265 CA ARG A 83 -3.562 -5.496 -9.405 1.00 0.00 C ATOM 1266 C ARG A 83 -3.702 -6.888 -10.016 1.00 0.00 C ATOM 1267 O ARG A 83 -3.972 -7.026 -11.209 1.00 0.00 O ATOM 1268 CB ARG A 83 -4.534 -4.529 -10.086 1.00 0.00 C ATOM 1269 CG ARG A 83 -5.987 -4.975 -10.015 1.00 0.00 C ATOM 1270 CD ARG A 83 -6.825 -4.318 -11.100 1.00 0.00 C ATOM 1271 NE ARG A 83 -8.156 -4.912 -11.195 1.00 0.00 N ATOM 1272 CZ ARG A 83 -9.190 -4.322 -11.791 1.00 0.00 C ATOM 1273 NH1 ARG A 83 -9.052 -3.124 -12.345 1.00 0.00 N ATOM 1274 NH2 ARG A 83 -10.368 -4.931 -11.832 1.00 0.00 N ATOM 0 H ARG A 83 -1.941 -4.686 -10.461 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.804 -5.558 -8.344 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.441 -3.547 -9.622 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.248 -4.416 -11.132 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.041 -6.059 -10.118 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.398 -4.727 -9.036 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.917 -3.252 -10.892 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.316 -4.413 -12.059 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.302 -5.833 -10.781 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.150 -2.650 -12.316 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.848 -2.678 -12.800 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.481 -5.851 -11.407 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.160 -4.479 -12.289 1.00 0.00 H new ATOM 1288 N PRO A 84 -3.520 -7.941 -9.203 1.00 0.00 N ATOM 1289 CA PRO A 84 -3.631 -9.325 -9.672 1.00 0.00 C ATOM 1290 C PRO A 84 -5.070 -9.715 -9.990 1.00 0.00 C ATOM 1291 O PRO A 84 -5.978 -8.885 -9.929 1.00 0.00 O ATOM 1292 CB PRO A 84 -3.108 -10.143 -8.491 1.00 0.00 C ATOM 1293 CG PRO A 84 -3.356 -9.288 -7.298 1.00 0.00 C ATOM 1294 CD PRO A 84 -3.196 -7.869 -7.765 1.00 0.00 C ATOM 0 HA PRO A 84 -3.080 -9.486 -10.598 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.628 -11.097 -8.409 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -2.047 -10.367 -8.604 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.356 -9.457 -6.898 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -2.650 -9.518 -6.500 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -3.868 -7.194 -7.235 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.182 -7.504 -7.600 1.00 0.00 H new ATOM 1572 N GLN A 103 -8.767 1.174 9.689 1.00 0.00 N ATOM 1573 CA GLN A 103 -7.717 0.419 9.028 1.00 0.00 C ATOM 1574 C GLN A 103 -6.332 0.939 9.375 1.00 0.00 C ATOM 1575 O GLN A 103 -6.188 2.003 9.975 1.00 0.00 O ATOM 1576 CB GLN A 103 -7.931 0.493 7.517 1.00 0.00 C ATOM 1577 CG GLN A 103 -9.216 -0.168 7.063 1.00 0.00 C ATOM 1578 CD GLN A 103 -9.042 -1.648 6.773 1.00 0.00 C ATOM 1579 OE1 GLN A 103 -8.683 -2.038 5.662 1.00 0.00 O ATOM 1580 NE2 GLN A 103 -9.296 -2.480 7.776 1.00 0.00 N ATOM 0 HA GLN A 103 -7.772 -0.613 9.374 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -7.939 1.538 7.209 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.089 0.019 7.014 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -9.977 -0.040 7.832 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -9.581 0.333 6.167 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -9.591 -2.113 8.681 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -9.196 -3.486 7.642 1.00 0.00 H new ATOM 1589 N TYR A 104 -5.311 0.191 8.970 1.00 0.00 N ATOM 1590 CA TYR A 104 -3.938 0.599 9.212 1.00 0.00 C ATOM 1591 C TYR A 104 -3.555 1.640 8.177 1.00 0.00 C ATOM 1592 O TYR A 104 -3.181 1.309 7.052 1.00 0.00 O ATOM 1593 CB TYR A 104 -2.987 -0.598 9.132 1.00 0.00 C ATOM 1594 CG TYR A 104 -1.740 -0.438 9.973 1.00 0.00 C ATOM 1595 CD1 TYR A 104 -1.821 0.001 11.288 1.00 0.00 C ATOM 1596 CD2 TYR A 104 -0.481 -0.726 9.455 1.00 0.00 C ATOM 1597 CE1 TYR A 104 -0.688 0.147 12.064 1.00 0.00 C ATOM 1598 CE2 TYR A 104 0.656 -0.581 10.226 1.00 0.00 C ATOM 1599 CZ TYR A 104 0.548 -0.145 11.528 1.00 0.00 C ATOM 1600 OH TYR A 104 1.680 0.001 12.298 1.00 0.00 O ATOM 0 H TYR A 104 -5.410 -0.696 8.476 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.858 1.018 10.215 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.518 -1.495 9.451 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.697 -0.752 8.093 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -2.787 0.232 11.711 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.391 -1.068 8.435 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.770 0.488 13.085 1.00 0.00 H new ATOM 0 HE2 TYR A 104 1.626 -0.809 9.809 1.00 0.00 H new ATOM 0 HH TYR A 104 2.369 0.469 11.781 1.00 0.00 H new ATOM 1610 N TRP A 105 -3.676 2.902 8.556 1.00 0.00 N ATOM 1611 CA TRP A 105 -3.372 3.996 7.652 1.00 0.00 C ATOM 1612 C TRP A 105 -1.978 4.556 7.917 1.00 0.00 C ATOM 1613 O TRP A 105 -1.560 4.691 9.067 1.00 0.00 O ATOM 1614 CB TRP A 105 -4.420 5.100 7.806 1.00 0.00 C ATOM 1615 CG TRP A 105 -5.838 4.611 7.706 1.00 0.00 C ATOM 1616 CD1 TRP A 105 -6.677 4.275 8.734 1.00 0.00 C ATOM 1617 CD2 TRP A 105 -6.584 4.393 6.504 1.00 0.00 C ATOM 1618 NE1 TRP A 105 -7.902 3.904 8.243 1.00 0.00 N ATOM 1619 CE2 TRP A 105 -7.867 3.959 6.881 1.00 0.00 C ATOM 1620 CE3 TRP A 105 -6.302 4.528 5.149 1.00 0.00 C ATOM 1621 CZ2 TRP A 105 -8.852 3.665 5.951 1.00 0.00 C ATOM 1622 CZ3 TRP A 105 -7.285 4.223 4.234 1.00 0.00 C ATOM 1623 CH2 TRP A 105 -8.543 3.799 4.640 1.00 0.00 C ATOM 0 H TRP A 105 -3.983 3.193 9.484 1.00 0.00 H new ATOM 0 HA TRP A 105 -3.394 3.615 6.631 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -4.281 5.587 8.771 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.252 5.857 7.040 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.412 4.299 9.781 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -8.708 3.631 8.805 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -5.330 4.866 4.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -9.834 3.340 6.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -7.073 4.316 3.179 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -9.291 3.571 3.894 1.00 0.00 H new ATOM 1634 N VAL A 106 -1.265 4.878 6.843 1.00 0.00 N ATOM 1635 CA VAL A 106 0.082 5.426 6.955 1.00 0.00 C ATOM 1636 C VAL A 106 0.048 6.945 7.091 1.00 0.00 C ATOM 1637 O VAL A 106 1.077 7.588 6.790 1.00 0.00 O ATOM 1638 CB VAL A 106 0.944 5.051 5.737 1.00 0.00 C ATOM 1639 CG1 VAL A 106 1.317 3.577 5.778 1.00 0.00 C ATOM 1640 CG2 VAL A 106 0.219 5.390 4.444 1.00 0.00 C ATOM 1641 OXT VAL A 106 -1.004 7.479 7.497 1.00 0.00 O ATOM 0 H VAL A 106 -1.597 4.769 5.885 1.00 0.00 H new ATOM 0 HA VAL A 106 0.526 4.993 7.852 1.00 0.00 H new ATOM 0 HB VAL A 106 1.864 5.635 5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.926 3.332 4.908 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.882 3.370 6.687 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.410 2.972 5.768 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.845 5.118 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.719 4.836 4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.011 6.459 4.413 1.00 0.00 H new