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= -0.369 USER MOD Set 2.1: A 71 LYS NZ :NH3+ -167:sc= 0.128 (180deg=0.015) USER MOD Set 2.2: A 104 TYR OH : rot -123:sc= 0.0107 USER MOD Set 3.1: A 27 CYS SG : rot -90:sc= -5.02! USER MOD Set 3.2: A 66 CYS SG : rot 94:sc= 1.01 USER MOD Set 4.1: A 23 ASN : amide:sc= -3.75 K(o=-7.4,f=-12!) USER MOD Set 4.2: A 28 THR OG1 : rot -170:sc= -3.64 USER MOD Set 5.1: A 5 ASN :FLIP amide:sc= -2.59! F(o=-4.7,f=-1.5!) USER MOD Set 5.2: A 78 SER OG : rot -44:sc= 1.14 USER MOD Single : A 1 LEU N :NH3+ -155:sc= -0.567 (180deg=-1.09) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 169:sc= -0.729 (180deg=-0.82) USER MOD Single : A 10 LYS NZ :NH3+ -143:sc= -2.96! (180deg=-6.96!) USER MOD Single : A 11 LYS NZ :NH3+ 142:sc= 0.616 (180deg=0.0773) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 100:sc= -0.977 USER MOD Single : A 21 SER OG : rot 180:sc= -0.85 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 36 GLN : amide:sc= -8.66! C(o=-8.7!,f=-11!) USER MOD Single : A 37 TYR OH : rot -96:sc= 0.655 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.18) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.062) USER MOD Single : A 54 ASN : amide:sc= -0.312 X(o=-0.31,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.177 K(o=-0.18,f=-4.6!) USER MOD Single : A 67 TYR OH : rot -124:sc= -0.511 USER MOD Single : A 74 ASN : amide:sc= 0.247 K(o=0.25,f=-1.4) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -114:sc= -0.693 (180deg=-5.25!) USER MOD Single : A 103 GLN : amide:sc= -0.824 X(o=-0.82,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -0.783 -10.263 -13.833 1.00 0.00 N ATOM 2 CA LEU A 1 -1.259 -9.191 -12.920 1.00 0.00 C ATOM 3 C LEU A 1 -0.878 -7.810 -13.445 1.00 0.00 C ATOM 4 O LEU A 1 0.240 -7.604 -13.919 1.00 0.00 O ATOM 5 CB LEU A 1 -0.643 -9.417 -11.537 1.00 0.00 C ATOM 6 CG LEU A 1 -0.569 -10.878 -11.088 1.00 0.00 C ATOM 7 CD1 LEU A 1 0.059 -10.980 -9.707 1.00 0.00 C ATOM 8 CD2 LEU A 1 -1.953 -11.507 -11.094 1.00 0.00 C ATOM 0 H1 LEU A 1 -1.377 -11.108 -13.716 1.00 0.00 H new ATOM 0 H2 LEU A 1 -0.842 -9.932 -14.817 1.00 0.00 H new ATOM 0 H3 LEU A 1 0.204 -10.500 -13.606 1.00 0.00 H new ATOM 0 HA LEU A 1 -2.347 -9.232 -12.859 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.364 -9.001 -11.533 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -1.222 -8.857 -10.803 1.00 0.00 H new ATOM 0 HG LEU A 1 0.060 -11.424 -11.792 1.00 0.00 H new ATOM 0 HD11 LEU A 1 0.103 -12.026 -9.404 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.067 -10.567 -9.734 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -0.543 -10.420 -8.991 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -1.882 -12.546 -10.772 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -2.604 -10.960 -10.413 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -2.367 -11.467 -12.102 1.00 0.00 H new ATOM 22 N GLU A 2 -1.813 -6.870 -13.358 1.00 0.00 N ATOM 23 CA GLU A 2 -1.572 -5.510 -13.827 1.00 0.00 C ATOM 24 C GLU A 2 -0.729 -4.731 -12.829 1.00 0.00 C ATOM 25 O GLU A 2 -0.691 -5.058 -11.643 1.00 0.00 O ATOM 26 CB GLU A 2 -2.897 -4.777 -14.049 1.00 0.00 C ATOM 27 CG GLU A 2 -2.869 -3.810 -15.221 1.00 0.00 C ATOM 28 CD GLU A 2 -4.219 -3.675 -15.898 1.00 0.00 C ATOM 29 OE1 GLU A 2 -5.145 -3.118 -15.272 1.00 0.00 O ATOM 30 OE2 GLU A 2 -4.351 -4.126 -17.056 1.00 0.00 O ATOM 0 H GLU A 2 -2.743 -7.024 -12.968 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.031 -5.577 -14.771 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.686 -5.511 -14.214 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.156 -4.229 -13.143 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.542 -2.831 -14.871 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.133 -4.150 -15.950 1.00 0.00 H new ATOM 37 N LYS A 3 -0.067 -3.689 -13.315 1.00 0.00 N ATOM 38 CA LYS A 3 0.761 -2.849 -12.463 1.00 0.00 C ATOM 39 C LYS A 3 0.895 -1.452 -13.053 1.00 0.00 C ATOM 40 O LYS A 3 1.233 -1.289 -14.225 1.00 0.00 O ATOM 41 CB LYS A 3 2.151 -3.460 -12.268 1.00 0.00 C ATOM 42 CG LYS A 3 2.136 -4.956 -12.002 1.00 0.00 C ATOM 43 CD LYS A 3 3.546 -5.499 -11.837 1.00 0.00 C ATOM 44 CE LYS A 3 3.572 -6.727 -10.942 1.00 0.00 C ATOM 45 NZ LYS A 3 4.372 -7.833 -11.539 1.00 0.00 N ATOM 0 H LYS A 3 -0.088 -3.406 -14.295 1.00 0.00 H new ATOM 0 HA LYS A 3 0.271 -2.781 -11.492 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.750 -3.265 -13.157 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.644 -2.958 -11.435 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.556 -5.162 -11.102 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.640 -5.470 -12.825 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.956 -5.752 -12.815 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.187 -4.726 -11.413 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.990 -6.460 -9.971 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.552 -7.070 -10.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.365 -8.652 -10.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.959 -8.106 -12.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.352 -7.515 -11.683 1.00 0.00 H new ATOM 59 N PHE A 4 0.638 -0.445 -12.228 1.00 0.00 N ATOM 60 CA PHE A 4 0.738 0.940 -12.659 1.00 0.00 C ATOM 61 C PHE A 4 1.396 1.782 -11.574 1.00 0.00 C ATOM 62 O PHE A 4 1.628 1.299 -10.468 1.00 0.00 O ATOM 63 CB PHE A 4 -0.646 1.495 -13.010 1.00 0.00 C ATOM 64 CG PHE A 4 -1.538 1.722 -11.822 1.00 0.00 C ATOM 65 CD1 PHE A 4 -2.202 0.665 -11.218 1.00 0.00 C ATOM 66 CD2 PHE A 4 -1.718 2.996 -11.314 1.00 0.00 C ATOM 67 CE1 PHE A 4 -3.026 0.877 -10.130 1.00 0.00 C ATOM 68 CE2 PHE A 4 -2.542 3.213 -10.230 1.00 0.00 C ATOM 69 CZ PHE A 4 -3.197 2.154 -9.637 1.00 0.00 C ATOM 0 H PHE A 4 0.358 -0.564 -11.254 1.00 0.00 H new ATOM 0 HA PHE A 4 1.358 0.983 -13.554 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.523 2.438 -13.543 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.139 0.804 -13.694 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.073 -0.336 -11.603 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.207 3.830 -11.772 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.535 0.045 -9.666 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.675 4.213 -9.845 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.843 2.324 -8.788 1.00 0.00 H new ATOM 79 N ASN A 5 1.705 3.033 -11.892 1.00 0.00 N ATOM 80 CA ASN A 5 2.350 3.920 -10.931 1.00 0.00 C ATOM 81 C ASN A 5 1.389 4.996 -10.441 1.00 0.00 C ATOM 82 O ASN A 5 0.657 5.598 -11.228 1.00 0.00 O ATOM 83 CB ASN A 5 3.586 4.570 -11.561 1.00 0.00 C ATOM 84 CG ASN A 5 4.845 4.329 -10.751 1.00 0.00 C ATOM 85 OD1 ASN A 5 4.766 4.568 -9.447 1.00 0.00 O flip ATOM 86 ND2 ASN A 5 5.879 3.934 -11.291 1.00 0.00 N flip ATOM 0 H ASN A 5 1.521 3.455 -12.802 1.00 0.00 H new ATOM 0 HA ASN A 5 2.655 3.321 -10.073 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.725 4.178 -12.568 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.419 5.643 -11.657 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.896 3.763 -12.296 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.718 3.778 -10.733 1.00 0.00 H new ATOM 93 N VAL A 6 1.400 5.235 -9.134 1.00 0.00 N ATOM 94 CA VAL A 6 0.535 6.240 -8.528 1.00 0.00 C ATOM 95 C VAL A 6 1.356 7.305 -7.824 1.00 0.00 C ATOM 96 O VAL A 6 1.930 7.055 -6.764 1.00 0.00 O ATOM 97 CB VAL A 6 -0.434 5.621 -7.505 1.00 0.00 C ATOM 98 CG1 VAL A 6 -1.576 6.579 -7.200 1.00 0.00 C ATOM 99 CG2 VAL A 6 -0.956 4.283 -7.994 1.00 0.00 C ATOM 0 H VAL A 6 2.001 4.744 -8.472 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.040 6.684 -9.340 1.00 0.00 H new ATOM 0 HB VAL A 6 0.113 5.444 -6.579 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.250 6.123 -6.475 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.174 7.505 -6.789 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.123 6.796 -8.117 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.639 3.866 -7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.484 4.421 -8.937 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.121 3.599 -8.143 1.00 0.00 H new ATOM 109 N ASP A 7 1.406 8.493 -8.407 1.00 0.00 N ATOM 110 CA ASP A 7 2.157 9.587 -7.815 1.00 0.00 C ATOM 111 C ASP A 7 1.217 10.643 -7.253 1.00 0.00 C ATOM 112 O ASP A 7 0.342 11.145 -7.958 1.00 0.00 O ATOM 113 CB ASP A 7 3.088 10.218 -8.853 1.00 0.00 C ATOM 114 CG ASP A 7 2.389 10.494 -10.170 1.00 0.00 C ATOM 115 OD1 ASP A 7 1.141 10.448 -10.203 1.00 0.00 O ATOM 116 OD2 ASP A 7 3.089 10.757 -11.170 1.00 0.00 O ATOM 0 H ASP A 7 0.938 8.722 -9.284 1.00 0.00 H new ATOM 0 HA ASP A 7 2.757 9.184 -6.999 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.490 11.150 -8.456 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.935 9.555 -9.027 1.00 0.00 H new ATOM 121 N LEU A 8 1.413 10.994 -5.987 1.00 0.00 N ATOM 122 CA LEU A 8 0.584 12.010 -5.355 1.00 0.00 C ATOM 123 C LEU A 8 1.399 12.822 -4.363 1.00 0.00 C ATOM 124 O LEU A 8 2.406 12.353 -3.840 1.00 0.00 O ATOM 125 CB LEU A 8 -0.666 11.409 -4.679 1.00 0.00 C ATOM 126 CG LEU A 8 -0.466 10.213 -3.729 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.366 9.118 -4.376 1.00 0.00 C ATOM 128 CD2 LEU A 8 0.151 10.657 -2.408 1.00 0.00 C ATOM 0 H LEU A 8 2.132 10.594 -5.384 1.00 0.00 H new ATOM 0 HA LEU A 8 0.229 12.674 -6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.157 12.204 -4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.356 11.100 -5.465 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.451 9.797 -3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.486 8.291 -3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.137 8.762 -5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.346 9.514 -4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.280 9.792 -1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.121 11.118 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.506 11.379 -1.924 1.00 0.00 H new ATOM 140 N MET A 9 0.968 14.047 -4.118 1.00 0.00 N ATOM 141 CA MET A 9 1.673 14.920 -3.196 1.00 0.00 C ATOM 142 C MET A 9 1.554 14.405 -1.772 1.00 0.00 C ATOM 143 O MET A 9 0.472 14.405 -1.185 1.00 0.00 O ATOM 144 CB MET A 9 1.130 16.343 -3.297 1.00 0.00 C ATOM 145 CG MET A 9 1.962 17.234 -4.207 1.00 0.00 C ATOM 146 SD MET A 9 2.896 18.480 -3.299 1.00 0.00 S ATOM 147 CE MET A 9 4.527 17.742 -3.301 1.00 0.00 C ATOM 0 H MET A 9 0.137 14.458 -4.543 1.00 0.00 H new ATOM 0 HA MET A 9 2.729 14.929 -3.467 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.106 16.310 -3.668 1.00 0.00 H new ATOM 0 HB3 MET A 9 1.094 16.784 -2.301 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.652 16.616 -4.781 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.306 17.729 -4.923 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.257 18.472 -2.952 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.535 16.876 -2.639 1.00 0.00 H new ATOM 0 HE3 MET A 9 4.783 17.428 -4.313 1.00 0.00 H new ATOM 157 N LYS A 10 2.675 13.957 -1.230 1.00 0.00 N ATOM 158 CA LYS A 10 2.702 13.426 0.120 1.00 0.00 C ATOM 159 C LYS A 10 3.161 14.468 1.123 1.00 0.00 C ATOM 160 O LYS A 10 3.975 15.338 0.813 1.00 0.00 O ATOM 161 CB LYS A 10 3.616 12.206 0.194 1.00 0.00 C ATOM 162 CG LYS A 10 2.875 10.939 0.571 1.00 0.00 C ATOM 163 CD LYS A 10 2.599 10.897 2.068 1.00 0.00 C ATOM 164 CE LYS A 10 2.873 9.525 2.661 1.00 0.00 C ATOM 165 NZ LYS A 10 3.804 9.599 3.822 1.00 0.00 N ATOM 0 H LYS A 10 3.577 13.951 -1.706 1.00 0.00 H new ATOM 0 HA LYS A 10 1.683 13.134 0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.103 12.063 -0.771 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.404 12.392 0.924 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.935 10.886 0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.463 10.069 0.281 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.218 11.639 2.571 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.560 11.170 2.253 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.934 9.072 2.977 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.298 8.876 1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.437 8.774 3.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.370 10.469 3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.256 9.606 4.706 1.00 0.00 H new ATOM 179 N LYS A 11 2.636 14.355 2.330 1.00 0.00 N ATOM 180 CA LYS A 11 2.990 15.270 3.407 1.00 0.00 C ATOM 181 C LYS A 11 3.176 14.504 4.711 1.00 0.00 C ATOM 182 O LYS A 11 2.374 14.625 5.638 1.00 0.00 O ATOM 183 CB LYS A 11 1.915 16.346 3.573 1.00 0.00 C ATOM 184 CG LYS A 11 1.371 16.875 2.254 1.00 0.00 C ATOM 185 CD LYS A 11 2.352 17.820 1.582 1.00 0.00 C ATOM 186 CE LYS A 11 1.903 18.175 0.173 1.00 0.00 C ATOM 187 NZ LYS A 11 2.291 19.562 -0.202 1.00 0.00 N ATOM 0 H LYS A 11 1.961 13.637 2.592 1.00 0.00 H new ATOM 0 HA LYS A 11 3.930 15.758 3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.091 15.937 4.158 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.330 17.177 4.144 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.155 16.040 1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.429 17.393 2.430 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.448 18.730 2.175 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.338 17.358 1.546 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.341 17.472 -0.535 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.821 18.069 0.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.578 19.584 -1.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.481 20.199 -0.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.085 19.873 0.393 1.00 0.00 H new ATOM 201 N ALA A 12 4.240 13.711 4.770 1.00 0.00 N ATOM 202 CA ALA A 12 4.542 12.913 5.953 1.00 0.00 C ATOM 203 C ALA A 12 3.357 12.033 6.342 1.00 0.00 C ATOM 204 O ALA A 12 3.183 11.690 7.512 1.00 0.00 O ATOM 205 CB ALA A 12 4.934 13.817 7.113 1.00 0.00 C ATOM 0 H ALA A 12 4.911 13.603 4.009 1.00 0.00 H new ATOM 0 HA ALA A 12 5.382 12.260 5.715 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.157 13.208 7.989 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.816 14.397 6.840 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.111 14.494 7.341 1.00 0.00 H new ATOM 211 N GLY A 13 2.543 11.672 5.353 1.00 0.00 N ATOM 212 CA GLY A 13 1.383 10.838 5.613 1.00 0.00 C ATOM 213 C GLY A 13 0.187 11.641 6.085 1.00 0.00 C ATOM 214 O GLY A 13 0.196 12.187 7.188 1.00 0.00 O ATOM 0 H GLY A 13 2.666 11.942 4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.118 10.296 4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.637 10.092 6.367 1.00 0.00 H new ATOM 218 N LYS A 14 -0.844 11.717 5.248 1.00 0.00 N ATOM 219 CA LYS A 14 -2.048 12.464 5.593 1.00 0.00 C ATOM 220 C LYS A 14 -3.254 11.978 4.784 1.00 0.00 C ATOM 221 O LYS A 14 -3.903 10.997 5.144 1.00 0.00 O ATOM 222 CB LYS A 14 -1.822 13.961 5.363 1.00 0.00 C ATOM 223 CG LYS A 14 -1.019 14.273 4.113 1.00 0.00 C ATOM 224 CD LYS A 14 -1.401 15.628 3.533 1.00 0.00 C ATOM 225 CE LYS A 14 -1.197 16.749 4.542 1.00 0.00 C ATOM 226 NZ LYS A 14 -2.373 17.661 4.604 1.00 0.00 N ATOM 0 H LYS A 14 -0.870 11.272 4.330 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.262 12.293 6.648 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.789 14.459 5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.307 14.379 6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.045 14.264 4.350 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.186 13.496 3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.802 15.825 2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.444 15.608 3.217 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.017 16.321 5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.308 17.320 4.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.195 18.411 5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.530 18.089 3.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.217 17.121 4.884 1.00 0.00 H new ATOM 240 N GLU A 15 -3.545 12.682 3.693 1.00 0.00 N ATOM 241 CA GLU A 15 -4.656 12.361 2.817 1.00 0.00 C ATOM 242 C GLU A 15 -4.443 11.033 2.081 1.00 0.00 C ATOM 243 O GLU A 15 -5.331 10.571 1.370 1.00 0.00 O ATOM 244 CB GLU A 15 -4.868 13.505 1.826 1.00 0.00 C ATOM 245 CG GLU A 15 -6.076 14.369 2.146 1.00 0.00 C ATOM 246 CD GLU A 15 -6.342 15.416 1.081 1.00 0.00 C ATOM 247 OE1 GLU A 15 -5.480 16.301 0.889 1.00 0.00 O ATOM 248 OE2 GLU A 15 -7.411 15.353 0.439 1.00 0.00 O ATOM 0 H GLU A 15 -3.009 13.497 3.394 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.550 12.240 3.429 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.977 14.132 1.811 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.983 13.091 0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.955 13.733 2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.921 14.863 3.105 1.00 0.00 H new ATOM 255 N LEU A 16 -3.265 10.425 2.235 1.00 0.00 N ATOM 256 CA LEU A 16 -2.967 9.158 1.562 1.00 0.00 C ATOM 257 C LEU A 16 -4.136 8.184 1.715 1.00 0.00 C ATOM 258 O LEU A 16 -4.542 7.531 0.753 1.00 0.00 O ATOM 259 CB LEU A 16 -1.692 8.537 2.143 1.00 0.00 C ATOM 260 CG LEU A 16 -0.583 8.268 1.124 1.00 0.00 C ATOM 261 CD1 LEU A 16 -0.067 9.570 0.541 1.00 0.00 C ATOM 262 CD2 LEU A 16 0.548 7.478 1.765 1.00 0.00 C ATOM 0 H LEU A 16 -2.507 10.785 2.815 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.813 9.358 0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.302 9.200 2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.953 7.598 2.631 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.998 7.673 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.721 9.358 -0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.883 10.095 0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.332 10.194 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.328 7.295 1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.962 8.046 2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.165 6.526 2.131 1.00 0.00 H new ATOM 274 N GLY A 17 -4.682 8.120 2.926 1.00 0.00 N ATOM 275 CA GLY A 17 -5.821 7.258 3.214 1.00 0.00 C ATOM 276 C GLY A 17 -5.845 5.955 2.427 1.00 0.00 C ATOM 277 O GLY A 17 -6.784 5.701 1.672 1.00 0.00 O ATOM 0 H GLY A 17 -4.351 8.658 3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.823 7.024 4.279 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.738 7.809 3.007 1.00 0.00 H new ATOM 281 N LEU A 18 -4.832 5.121 2.622 1.00 0.00 N ATOM 282 CA LEU A 18 -4.769 3.831 1.946 1.00 0.00 C ATOM 283 C LEU A 18 -4.203 2.767 2.883 1.00 0.00 C ATOM 284 O LEU A 18 -3.000 2.727 3.142 1.00 0.00 O ATOM 285 CB LEU A 18 -3.927 3.922 0.673 1.00 0.00 C ATOM 286 CG LEU A 18 -2.469 4.339 0.885 1.00 0.00 C ATOM 287 CD1 LEU A 18 -1.522 3.235 0.438 1.00 0.00 C ATOM 288 CD2 LEU A 18 -2.172 5.629 0.138 1.00 0.00 C ATOM 0 H LEU A 18 -4.044 5.313 3.241 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.782 3.545 1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.942 2.952 0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.397 4.635 -0.005 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.314 4.511 1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.492 3.553 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.717 2.332 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.678 3.028 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.132 5.912 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.347 5.481 -0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.824 6.421 0.506 1.00 0.00 H new ATOM 300 N SER A 19 -5.084 1.914 3.398 1.00 0.00 N ATOM 301 CA SER A 19 -4.684 0.856 4.319 1.00 0.00 C ATOM 302 C SER A 19 -3.909 -0.238 3.596 1.00 0.00 C ATOM 303 O SER A 19 -4.425 -0.875 2.676 1.00 0.00 O ATOM 304 CB SER A 19 -5.914 0.262 5.010 1.00 0.00 C ATOM 305 OG SER A 19 -5.658 -1.052 5.478 1.00 0.00 O ATOM 0 H SER A 19 -6.083 1.936 3.192 1.00 0.00 H new ATOM 0 HA SER A 19 -4.029 1.294 5.072 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.206 0.897 5.846 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.752 0.245 4.314 1.00 0.00 H new ATOM 0 HG SER A 19 -5.464 -1.025 6.438 1.00 0.00 H new ATOM 311 N LEU A 20 -2.665 -0.445 4.017 1.00 0.00 N ATOM 312 CA LEU A 20 -1.806 -1.453 3.410 1.00 0.00 C ATOM 313 C LEU A 20 -1.587 -2.640 4.345 1.00 0.00 C ATOM 314 O LEU A 20 -1.936 -2.590 5.524 1.00 0.00 O ATOM 315 CB LEU A 20 -0.461 -0.829 3.033 1.00 0.00 C ATOM 316 CG LEU A 20 -0.555 0.372 2.094 1.00 0.00 C ATOM 317 CD1 LEU A 20 0.831 0.898 1.758 1.00 0.00 C ATOM 318 CD2 LEU A 20 -1.310 -0.007 0.830 1.00 0.00 C ATOM 0 H LEU A 20 -2.229 0.075 4.779 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.302 -1.823 2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.049 -0.520 3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.159 -1.592 2.563 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.104 1.167 2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.743 1.753 1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.336 1.205 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.410 0.113 1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.370 0.858 0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.786 -0.816 0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.316 -0.334 1.092 1.00 0.00 H new ATOM 330 N SER A 21 -1.006 -3.706 3.802 1.00 0.00 N ATOM 331 CA SER A 21 -0.733 -4.913 4.573 1.00 0.00 C ATOM 332 C SER A 21 0.530 -5.604 4.058 1.00 0.00 C ATOM 333 O SER A 21 1.036 -5.264 2.991 1.00 0.00 O ATOM 334 CB SER A 21 -1.925 -5.872 4.499 1.00 0.00 C ATOM 335 OG SER A 21 -2.458 -6.123 5.787 1.00 0.00 O ATOM 0 H SER A 21 -0.714 -3.757 2.826 1.00 0.00 H new ATOM 0 HA SER A 21 -0.574 -4.628 5.613 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.698 -5.447 3.859 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.613 -6.811 4.042 1.00 0.00 H new ATOM 0 HG SER A 21 -3.219 -6.736 5.712 1.00 0.00 H new ATOM 341 N PRO A 22 1.057 -6.584 4.814 1.00 0.00 N ATOM 342 CA PRO A 22 2.269 -7.315 4.425 1.00 0.00 C ATOM 343 C PRO A 22 2.047 -8.228 3.223 1.00 0.00 C ATOM 344 O PRO A 22 1.046 -8.941 3.148 1.00 0.00 O ATOM 345 CB PRO A 22 2.597 -8.144 5.668 1.00 0.00 C ATOM 346 CG PRO A 22 1.295 -8.309 6.370 1.00 0.00 C ATOM 347 CD PRO A 22 0.518 -7.050 6.105 1.00 0.00 C ATOM 0 HA PRO A 22 3.067 -6.638 4.120 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.026 -9.109 5.398 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.326 -7.637 6.300 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.760 -9.183 5.999 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.445 -8.457 7.439 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.553 -7.243 6.048 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.667 -6.312 6.893 1.00 0.00 H new ATOM 355 N ASN A 23 2.992 -8.206 2.287 1.00 0.00 N ATOM 356 CA ASN A 23 2.907 -9.038 1.089 1.00 0.00 C ATOM 357 C ASN A 23 4.291 -9.524 0.664 1.00 0.00 C ATOM 358 O ASN A 23 5.310 -8.974 1.083 1.00 0.00 O ATOM 359 CB ASN A 23 2.248 -8.270 -0.060 1.00 0.00 C ATOM 360 CG ASN A 23 0.995 -8.956 -0.562 1.00 0.00 C ATOM 361 OD1 ASN A 23 0.774 -9.071 -1.768 1.00 0.00 O ATOM 362 ND2 ASN A 23 0.163 -9.416 0.364 1.00 0.00 N ATOM 0 H ASN A 23 3.826 -7.621 2.335 1.00 0.00 H new ATOM 0 HA ASN A 23 2.292 -9.905 1.329 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.000 -7.263 0.274 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.958 -8.168 -0.881 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.699 -9.886 0.087 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.385 -9.299 1.353 1.00 0.00 H new ATOM 369 N GLU A 24 4.315 -10.557 -0.172 1.00 0.00 N ATOM 370 CA GLU A 24 5.567 -11.124 -0.660 1.00 0.00 C ATOM 371 C GLU A 24 6.154 -10.279 -1.787 1.00 0.00 C ATOM 372 O GLU A 24 7.350 -10.347 -2.071 1.00 0.00 O ATOM 373 CB GLU A 24 5.340 -12.552 -1.154 1.00 0.00 C ATOM 374 CG GLU A 24 4.408 -12.638 -2.353 1.00 0.00 C ATOM 375 CD GLU A 24 4.133 -14.068 -2.774 1.00 0.00 C ATOM 376 OE1 GLU A 24 3.504 -14.808 -1.990 1.00 0.00 O ATOM 377 OE2 GLU A 24 4.547 -14.447 -3.890 1.00 0.00 O ATOM 0 H GLU A 24 3.478 -11.020 -0.527 1.00 0.00 H new ATOM 0 HA GLU A 24 6.276 -11.133 0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.301 -12.994 -1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.928 -13.148 -0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.466 -12.146 -2.112 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.847 -12.094 -3.190 1.00 0.00 H new ATOM 384 N ILE A 25 5.303 -9.490 -2.434 1.00 0.00 N ATOM 385 CA ILE A 25 5.734 -8.639 -3.539 1.00 0.00 C ATOM 386 C ILE A 25 5.595 -7.160 -3.199 1.00 0.00 C ATOM 387 O ILE A 25 5.817 -6.297 -4.049 1.00 0.00 O ATOM 388 CB ILE A 25 4.922 -8.935 -4.809 1.00 0.00 C ATOM 389 CG1 ILE A 25 3.422 -8.803 -4.520 1.00 0.00 C ATOM 390 CG2 ILE A 25 5.258 -10.323 -5.330 1.00 0.00 C ATOM 391 CD1 ILE A 25 2.534 -9.347 -5.616 1.00 0.00 C ATOM 0 H ILE A 25 4.310 -9.422 -2.213 1.00 0.00 H new ATOM 0 HA ILE A 25 6.786 -8.863 -3.715 1.00 0.00 H new ATOM 0 HB ILE A 25 5.184 -8.209 -5.579 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.194 -9.324 -3.590 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.184 -7.751 -4.362 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.678 -10.524 -6.230 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.321 -10.376 -5.564 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.016 -11.065 -4.569 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.489 -9.216 -5.336 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.731 -8.810 -6.544 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.741 -10.407 -5.760 1.00 0.00 H new ATOM 403 N GLY A 26 5.226 -6.868 -1.958 1.00 0.00 N ATOM 404 CA GLY A 26 5.065 -5.492 -1.540 1.00 0.00 C ATOM 405 C GLY A 26 4.106 -5.358 -0.379 1.00 0.00 C ATOM 406 O GLY A 26 4.293 -5.981 0.667 1.00 0.00 O ATOM 0 H GLY A 26 5.036 -7.561 -1.234 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.035 -5.084 -1.257 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.702 -4.899 -2.379 1.00 0.00 H new ATOM 410 N CYS A 27 3.070 -4.547 -0.559 1.00 0.00 N ATOM 411 CA CYS A 27 2.077 -4.344 0.489 1.00 0.00 C ATOM 412 C CYS A 27 0.671 -4.268 -0.093 1.00 0.00 C ATOM 413 O CYS A 27 0.309 -3.290 -0.746 1.00 0.00 O ATOM 414 CB CYS A 27 2.381 -3.073 1.283 1.00 0.00 C ATOM 415 SG CYS A 27 2.903 -1.672 0.271 1.00 0.00 S ATOM 0 H CYS A 27 2.896 -4.022 -1.416 1.00 0.00 H new ATOM 0 HA CYS A 27 2.127 -5.201 1.161 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.492 -2.789 1.845 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.162 -3.291 2.011 1.00 0.00 H new ATOM 0 HG CYS A 27 4.197 -1.686 0.145 1.00 0.00 H new ATOM 421 N THR A 28 -0.122 -5.306 0.156 1.00 0.00 N ATOM 422 CA THR A 28 -1.492 -5.355 -0.337 1.00 0.00 C ATOM 423 C THR A 28 -2.376 -4.377 0.430 1.00 0.00 C ATOM 424 O THR A 28 -2.292 -4.281 1.654 1.00 0.00 O ATOM 425 CB THR A 28 -2.056 -6.774 -0.209 1.00 0.00 C ATOM 426 OG1 THR A 28 -1.362 -7.668 -1.059 1.00 0.00 O ATOM 427 CG2 THR A 28 -3.531 -6.874 -0.545 1.00 0.00 C ATOM 0 H THR A 28 0.162 -6.123 0.696 1.00 0.00 H new ATOM 0 HA THR A 28 -1.484 -5.069 -1.389 1.00 0.00 H new ATOM 0 HB THR A 28 -1.923 -7.039 0.840 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.832 -8.527 -1.084 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.861 -7.907 -0.432 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.102 -6.235 0.129 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.693 -6.552 -1.574 1.00 0.00 H new ATOM 435 N ILE A 29 -3.225 -3.661 -0.294 1.00 0.00 N ATOM 436 CA ILE A 29 -4.126 -2.699 0.323 1.00 0.00 C ATOM 437 C ILE A 29 -5.256 -3.415 1.057 1.00 0.00 C ATOM 438 O ILE A 29 -6.182 -3.934 0.435 1.00 0.00 O ATOM 439 CB ILE A 29 -4.727 -1.742 -0.725 1.00 0.00 C ATOM 440 CG1 ILE A 29 -3.616 -1.110 -1.567 1.00 0.00 C ATOM 441 CG2 ILE A 29 -5.563 -0.667 -0.048 1.00 0.00 C ATOM 442 CD1 ILE A 29 -4.128 -0.265 -2.713 1.00 0.00 C ATOM 0 H ILE A 29 -3.308 -3.728 -1.308 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.541 -2.117 1.035 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.377 -2.315 -1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.991 -0.492 -0.923 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.980 -1.900 -1.966 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.979 -0.000 -0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.374 -1.135 0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.936 -0.094 0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.284 0.150 -3.264 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.729 -0.883 -3.380 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.740 0.547 -2.321 1.00 0.00 H new ATOM 454 N ALA A 30 -5.171 -3.439 2.383 1.00 0.00 N ATOM 455 CA ALA A 30 -6.187 -4.093 3.199 1.00 0.00 C ATOM 456 C ALA A 30 -7.503 -3.329 3.150 1.00 0.00 C ATOM 457 O ALA A 30 -8.577 -3.912 3.292 1.00 0.00 O ATOM 458 CB ALA A 30 -5.705 -4.230 4.635 1.00 0.00 C ATOM 0 H ALA A 30 -4.411 -3.014 2.914 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.360 -5.089 2.791 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.474 -4.720 5.232 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.793 -4.827 4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.502 -3.241 5.046 1.00 0.00 H new ATOM 464 N ASP A 31 -7.412 -2.019 2.946 1.00 0.00 N ATOM 465 CA ASP A 31 -8.597 -1.173 2.874 1.00 0.00 C ATOM 466 C ASP A 31 -8.274 0.147 2.196 1.00 0.00 C ATOM 467 O ASP A 31 -7.107 0.479 1.984 1.00 0.00 O ATOM 468 CB ASP A 31 -9.152 -0.909 4.274 1.00 0.00 C ATOM 469 CG ASP A 31 -10.361 -1.766 4.594 1.00 0.00 C ATOM 470 OD1 ASP A 31 -10.662 -2.688 3.807 1.00 0.00 O ATOM 471 OD2 ASP A 31 -11.009 -1.514 5.632 1.00 0.00 O ATOM 0 H ASP A 31 -6.530 -1.521 2.828 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.350 -1.697 2.285 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.372 -1.098 5.011 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.424 0.143 4.360 1.00 0.00 H new ATOM 476 N LEU A 32 -9.309 0.902 1.856 1.00 0.00 N ATOM 477 CA LEU A 32 -9.119 2.181 1.206 1.00 0.00 C ATOM 478 C LEU A 32 -10.247 3.152 1.520 1.00 0.00 C ATOM 479 O LEU A 32 -11.423 2.853 1.313 1.00 0.00 O ATOM 480 CB LEU A 32 -8.996 1.992 -0.305 1.00 0.00 C ATOM 481 CG LEU A 32 -7.702 2.532 -0.903 1.00 0.00 C ATOM 482 CD1 LEU A 32 -7.106 1.540 -1.892 1.00 0.00 C ATOM 483 CD2 LEU A 32 -7.939 3.880 -1.569 1.00 0.00 C ATOM 0 H LEU A 32 -10.283 0.648 2.021 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.196 2.611 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.072 0.929 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.839 2.483 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.987 2.672 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.183 1.948 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.891 0.601 -1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.816 1.359 -2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.003 4.248 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.675 3.768 -2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.309 4.591 -0.830 1.00 0.00 H new ATOM 495 N ILE A 33 -9.866 4.329 1.995 1.00 0.00 N ATOM 496 CA ILE A 33 -10.822 5.374 2.314 1.00 0.00 C ATOM 497 C ILE A 33 -10.926 6.332 1.140 1.00 0.00 C ATOM 498 O ILE A 33 -10.063 7.175 0.948 1.00 0.00 O ATOM 499 CB ILE A 33 -10.414 6.162 3.579 1.00 0.00 C ATOM 500 CG1 ILE A 33 -8.957 6.627 3.489 1.00 0.00 C ATOM 501 CG2 ILE A 33 -10.635 5.327 4.818 1.00 0.00 C ATOM 502 CD1 ILE A 33 -8.428 7.218 4.777 1.00 0.00 C ATOM 0 H ILE A 33 -8.893 4.583 2.168 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.784 4.900 2.510 1.00 0.00 H new ATOM 0 HB ILE A 33 -11.045 7.048 3.646 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.332 5.781 3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.870 7.370 2.696 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.342 5.898 5.699 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.689 5.059 4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.034 4.420 4.757 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.391 7.525 4.638 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.029 8.084 5.054 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.482 6.471 5.569 1.00 0.00 H new ATOM 514 N GLN A 34 -11.969 6.181 0.342 1.00 0.00 N ATOM 515 CA GLN A 34 -12.149 7.031 -0.829 1.00 0.00 C ATOM 516 C GLN A 34 -12.585 8.437 -0.433 1.00 0.00 C ATOM 517 O GLN A 34 -13.434 8.616 0.441 1.00 0.00 O ATOM 518 CB GLN A 34 -13.150 6.394 -1.788 1.00 0.00 C ATOM 519 CG GLN A 34 -12.670 5.063 -2.343 1.00 0.00 C ATOM 520 CD GLN A 34 -13.614 4.484 -3.378 1.00 0.00 C ATOM 521 OE1 GLN A 34 -14.772 4.891 -3.475 1.00 0.00 O ATOM 522 NE2 GLN A 34 -13.123 3.529 -4.159 1.00 0.00 N ATOM 0 H GLN A 34 -12.701 5.484 0.479 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.189 7.123 -1.338 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -14.098 6.246 -1.271 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -13.341 7.079 -2.614 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.685 5.195 -2.790 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.556 4.353 -1.524 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.157 3.222 -4.044 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.712 3.102 -4.874 1.00 0.00 H new ATOM 531 N GLY A 35 -11.980 9.432 -1.077 1.00 0.00 N ATOM 532 CA GLY A 35 -12.290 10.818 -0.775 1.00 0.00 C ATOM 533 C GLY A 35 -11.211 11.451 0.081 1.00 0.00 C ATOM 534 O GLY A 35 -11.493 12.299 0.928 1.00 0.00 O ATOM 0 H GLY A 35 -11.278 9.301 -1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.397 11.379 -1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.247 10.874 -0.257 1.00 0.00 H new ATOM 538 N GLN A 36 -9.974 11.014 -0.134 1.00 0.00 N ATOM 539 CA GLN A 36 -8.832 11.512 0.628 1.00 0.00 C ATOM 540 C GLN A 36 -7.757 12.107 -0.287 1.00 0.00 C ATOM 541 O GLN A 36 -6.954 12.923 0.147 1.00 0.00 O ATOM 542 CB GLN A 36 -8.257 10.374 1.481 1.00 0.00 C ATOM 543 CG GLN A 36 -8.224 9.035 0.766 1.00 0.00 C ATOM 544 CD GLN A 36 -7.391 9.043 -0.498 1.00 0.00 C ATOM 545 OE1 GLN A 36 -6.173 9.197 -0.450 1.00 0.00 O ATOM 546 NE2 GLN A 36 -8.050 8.856 -1.637 1.00 0.00 N ATOM 0 H GLN A 36 -9.735 10.312 -0.834 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.173 12.316 1.280 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.245 10.637 1.788 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.851 10.277 2.390 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.830 8.279 1.446 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.243 8.740 0.517 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.062 8.733 -1.626 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.543 8.836 -2.522 1.00 0.00 H new ATOM 555 N TYR A 37 -7.759 11.712 -1.554 1.00 0.00 N ATOM 556 CA TYR A 37 -6.792 12.228 -2.522 1.00 0.00 C ATOM 557 C TYR A 37 -7.296 11.984 -3.942 1.00 0.00 C ATOM 558 O TYR A 37 -7.934 10.969 -4.217 1.00 0.00 O ATOM 559 CB TYR A 37 -5.417 11.575 -2.326 1.00 0.00 C ATOM 560 CG TYR A 37 -4.429 12.399 -1.510 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.393 13.790 -1.590 1.00 0.00 C ATOM 562 CD2 TYR A 37 -3.509 11.775 -0.673 1.00 0.00 C ATOM 563 CE1 TYR A 37 -3.476 14.524 -0.862 1.00 0.00 C ATOM 564 CE2 TYR A 37 -2.594 12.504 0.059 1.00 0.00 C ATOM 565 CZ TYR A 37 -2.580 13.877 -0.040 1.00 0.00 C ATOM 566 OH TYR A 37 -1.665 14.607 0.685 1.00 0.00 O ATOM 0 H TYR A 37 -8.419 11.036 -1.938 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.683 13.301 -2.361 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.555 10.610 -1.837 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.982 11.377 -3.305 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.094 14.303 -2.232 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.511 10.698 -0.595 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.462 15.601 -0.937 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.892 12.000 0.707 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.816 14.643 0.198 1.00 0.00 H new ATOM 576 N PRO A 38 -7.032 12.926 -4.861 1.00 0.00 N ATOM 577 CA PRO A 38 -7.479 12.815 -6.254 1.00 0.00 C ATOM 578 C PRO A 38 -6.811 11.667 -7.002 1.00 0.00 C ATOM 579 O PRO A 38 -7.480 10.877 -7.668 1.00 0.00 O ATOM 580 CB PRO A 38 -7.081 14.159 -6.867 1.00 0.00 C ATOM 581 CG PRO A 38 -5.988 14.674 -5.998 1.00 0.00 C ATOM 582 CD PRO A 38 -6.290 14.175 -4.615 1.00 0.00 C ATOM 0 HA PRO A 38 -8.546 12.601 -6.316 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.742 14.038 -7.896 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.925 14.848 -6.888 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.017 14.316 -6.339 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.952 15.763 -6.021 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.379 13.996 -4.044 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.885 14.892 -4.049 1.00 0.00 H new ATOM 590 N GLU A 39 -5.490 11.580 -6.897 1.00 0.00 N ATOM 591 CA GLU A 39 -4.742 10.527 -7.572 1.00 0.00 C ATOM 592 C GLU A 39 -5.061 9.163 -6.969 1.00 0.00 C ATOM 593 O GLU A 39 -5.429 8.231 -7.680 1.00 0.00 O ATOM 594 CB GLU A 39 -3.240 10.796 -7.480 1.00 0.00 C ATOM 595 CG GLU A 39 -2.840 12.186 -7.948 1.00 0.00 C ATOM 596 CD GLU A 39 -3.047 12.381 -9.437 1.00 0.00 C ATOM 597 OE1 GLU A 39 -2.552 11.543 -10.221 1.00 0.00 O ATOM 598 OE2 GLU A 39 -3.704 13.373 -9.820 1.00 0.00 O ATOM 0 H GLU A 39 -4.916 12.224 -6.352 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.039 10.522 -8.621 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.918 10.663 -6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.709 10.054 -8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.421 12.930 -7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.792 12.360 -7.705 1.00 0.00 H new ATOM 605 N ILE A 40 -4.916 9.058 -5.654 1.00 0.00 N ATOM 606 CA ILE A 40 -5.188 7.811 -4.947 1.00 0.00 C ATOM 607 C ILE A 40 -6.596 7.300 -5.240 1.00 0.00 C ATOM 608 O ILE A 40 -6.805 6.101 -5.418 1.00 0.00 O ATOM 609 CB ILE A 40 -5.027 7.994 -3.428 1.00 0.00 C ATOM 610 CG1 ILE A 40 -3.689 8.677 -3.119 1.00 0.00 C ATOM 611 CG2 ILE A 40 -5.144 6.651 -2.718 1.00 0.00 C ATOM 612 CD1 ILE A 40 -3.247 8.540 -1.680 1.00 0.00 C ATOM 0 H ILE A 40 -4.611 9.824 -5.053 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.464 7.078 -5.303 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.826 8.636 -3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.920 8.256 -3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.768 9.736 -3.365 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.028 6.796 -1.644 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.122 6.216 -2.922 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.365 5.979 -3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.293 9.049 -1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.995 8.987 -1.025 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.134 7.484 -1.433 1.00 0.00 H new ATOM 624 N ASP A 41 -7.558 8.217 -5.292 1.00 0.00 N ATOM 625 CA ASP A 41 -8.945 7.854 -5.563 1.00 0.00 C ATOM 626 C ASP A 41 -9.124 7.449 -7.024 1.00 0.00 C ATOM 627 O ASP A 41 -9.971 6.619 -7.350 1.00 0.00 O ATOM 628 CB ASP A 41 -9.875 9.020 -5.227 1.00 0.00 C ATOM 629 CG ASP A 41 -11.327 8.593 -5.141 1.00 0.00 C ATOM 630 OD1 ASP A 41 -11.926 8.306 -6.200 1.00 0.00 O ATOM 631 OD2 ASP A 41 -11.867 8.546 -4.016 1.00 0.00 O ATOM 0 H ASP A 41 -7.403 9.215 -5.150 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.202 7.002 -4.933 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.572 9.461 -4.278 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.771 9.795 -5.986 1.00 0.00 H new ATOM 636 N SER A 42 -8.317 8.042 -7.897 1.00 0.00 N ATOM 637 CA SER A 42 -8.380 7.748 -9.324 1.00 0.00 C ATOM 638 C SER A 42 -7.310 6.736 -9.726 1.00 0.00 C ATOM 639 O SER A 42 -7.152 6.424 -10.907 1.00 0.00 O ATOM 640 CB SER A 42 -8.194 9.031 -10.135 1.00 0.00 C ATOM 641 OG SER A 42 -9.438 9.662 -10.389 1.00 0.00 O ATOM 0 H SER A 42 -7.610 8.731 -7.641 1.00 0.00 H new ATOM 0 HA SER A 42 -9.360 7.320 -9.533 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.540 9.715 -9.594 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.701 8.799 -11.079 1.00 0.00 H new ATOM 0 HG SER A 42 -9.290 10.480 -10.907 1.00 0.00 H new ATOM 647 N LYS A 43 -6.565 6.238 -8.744 1.00 0.00 N ATOM 648 CA LYS A 43 -5.500 5.282 -9.009 1.00 0.00 C ATOM 649 C LYS A 43 -5.627 4.043 -8.129 1.00 0.00 C ATOM 650 O LYS A 43 -5.980 2.963 -8.603 1.00 0.00 O ATOM 651 CB LYS A 43 -4.143 5.947 -8.774 1.00 0.00 C ATOM 652 CG LYS A 43 -3.800 7.004 -9.811 1.00 0.00 C ATOM 653 CD LYS A 43 -2.464 6.731 -10.485 1.00 0.00 C ATOM 654 CE LYS A 43 -2.652 6.246 -11.913 1.00 0.00 C ATOM 655 NZ LYS A 43 -1.410 6.396 -12.720 1.00 0.00 N ATOM 0 H LYS A 43 -6.680 6.481 -7.760 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.582 4.964 -10.048 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.138 6.404 -7.785 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.367 5.182 -8.776 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.586 7.040 -10.566 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.772 7.984 -9.334 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.862 7.640 -10.484 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.913 5.983 -9.915 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.954 5.199 -11.904 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.460 6.807 -12.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.560 5.992 -13.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.173 7.405 -12.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.628 5.896 -12.250 1.00 0.00 H new ATOM 669 N LEU A 44 -5.322 4.208 -6.848 1.00 0.00 N ATOM 670 CA LEU A 44 -5.381 3.106 -5.895 1.00 0.00 C ATOM 671 C LEU A 44 -6.778 2.502 -5.819 1.00 0.00 C ATOM 672 O LEU A 44 -7.779 3.191 -6.016 1.00 0.00 O ATOM 673 CB LEU A 44 -4.941 3.591 -4.509 1.00 0.00 C ATOM 674 CG LEU A 44 -3.424 3.760 -4.309 1.00 0.00 C ATOM 675 CD1 LEU A 44 -2.899 2.723 -3.333 1.00 0.00 C ATOM 676 CD2 LEU A 44 -2.672 3.663 -5.630 1.00 0.00 C ATOM 0 H LEU A 44 -5.030 5.098 -6.444 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.702 2.327 -6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.424 4.548 -4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.310 2.886 -3.764 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.255 4.755 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.825 2.857 -3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.399 2.842 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.096 1.724 -3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.604 3.787 -5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.853 2.687 -6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.020 4.445 -6.305 1.00 0.00 H new ATOM 688 N GLN A 45 -6.832 1.204 -5.529 1.00 0.00 N ATOM 689 CA GLN A 45 -8.098 0.489 -5.421 1.00 0.00 C ATOM 690 C GLN A 45 -7.955 -0.719 -4.499 1.00 0.00 C ATOM 691 O GLN A 45 -6.896 -1.345 -4.439 1.00 0.00 O ATOM 692 CB GLN A 45 -8.574 0.038 -6.804 1.00 0.00 C ATOM 693 CG GLN A 45 -9.591 0.976 -7.432 1.00 0.00 C ATOM 694 CD GLN A 45 -9.713 0.783 -8.931 1.00 0.00 C ATOM 695 OE1 GLN A 45 -9.110 1.516 -9.716 1.00 0.00 O ATOM 696 NE2 GLN A 45 -10.498 -0.209 -9.338 1.00 0.00 N ATOM 0 H GLN A 45 -6.009 0.625 -5.364 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.839 1.167 -4.996 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.712 -0.046 -7.466 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.012 -0.957 -6.722 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.564 0.815 -6.968 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.306 2.007 -7.224 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.979 -0.792 -8.653 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.619 -0.387 -10.335 1.00 0.00 H new ATOM 705 N ARG A 46 -9.025 -1.042 -3.779 1.00 0.00 N ATOM 706 CA ARG A 46 -9.014 -2.173 -2.860 1.00 0.00 C ATOM 707 C ARG A 46 -8.709 -3.475 -3.597 1.00 0.00 C ATOM 708 O ARG A 46 -9.508 -3.947 -4.404 1.00 0.00 O ATOM 709 CB ARG A 46 -10.358 -2.287 -2.138 1.00 0.00 C ATOM 710 CG ARG A 46 -10.369 -1.632 -0.767 1.00 0.00 C ATOM 711 CD ARG A 46 -11.445 -2.223 0.130 1.00 0.00 C ATOM 712 NE ARG A 46 -12.790 -1.861 -0.313 1.00 0.00 N ATOM 713 CZ ARG A 46 -13.557 -2.634 -1.083 1.00 0.00 C ATOM 714 NH1 ARG A 46 -13.121 -3.815 -1.504 1.00 0.00 N ATOM 715 NH2 ARG A 46 -14.767 -2.220 -1.433 1.00 0.00 N ATOM 0 H ARG A 46 -9.910 -0.536 -3.815 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.228 -2.000 -2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.132 -1.832 -2.755 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.615 -3.341 -2.030 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.394 -1.757 -0.296 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.535 -0.560 -0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.348 -3.309 0.144 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.295 -1.876 1.152 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.166 -0.961 -0.015 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.191 -4.139 -1.239 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.716 -4.398 -2.093 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.108 -1.313 -1.113 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.357 -2.808 -2.022 1.00 0.00 H new ATOM 729 N GLY A 47 -7.544 -4.050 -3.311 1.00 0.00 N ATOM 730 CA GLY A 47 -7.152 -5.293 -3.950 1.00 0.00 C ATOM 731 C GLY A 47 -5.909 -5.141 -4.807 1.00 0.00 C ATOM 732 O GLY A 47 -5.808 -5.739 -5.877 1.00 0.00 O ATOM 0 H GLY A 47 -6.865 -3.677 -2.648 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.972 -6.049 -3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.974 -5.654 -4.569 1.00 0.00 H new ATOM 736 N ASP A 48 -4.961 -4.340 -4.332 1.00 0.00 N ATOM 737 CA ASP A 48 -3.719 -4.112 -5.060 1.00 0.00 C ATOM 738 C ASP A 48 -2.520 -4.181 -4.121 1.00 0.00 C ATOM 739 O ASP A 48 -2.647 -3.951 -2.920 1.00 0.00 O ATOM 740 CB ASP A 48 -3.756 -2.753 -5.759 1.00 0.00 C ATOM 741 CG ASP A 48 -4.284 -2.847 -7.178 1.00 0.00 C ATOM 742 OD1 ASP A 48 -5.502 -3.065 -7.343 1.00 0.00 O ATOM 743 OD2 ASP A 48 -3.478 -2.701 -8.120 1.00 0.00 O ATOM 0 H ASP A 48 -5.029 -3.838 -3.447 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.617 -4.896 -5.811 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.382 -2.069 -5.186 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.752 -2.328 -5.775 1.00 0.00 H new ATOM 748 N ILE A 49 -1.359 -4.502 -4.676 1.00 0.00 N ATOM 749 CA ILE A 49 -0.139 -4.606 -3.883 1.00 0.00 C ATOM 750 C ILE A 49 0.953 -3.707 -4.443 1.00 0.00 C ATOM 751 O ILE A 49 1.383 -3.876 -5.583 1.00 0.00 O ATOM 752 CB ILE A 49 0.386 -6.055 -3.840 1.00 0.00 C ATOM 753 CG1 ILE A 49 -0.777 -7.048 -3.789 1.00 0.00 C ATOM 754 CG2 ILE A 49 1.313 -6.246 -2.649 1.00 0.00 C ATOM 755 CD1 ILE A 49 -1.068 -7.707 -5.117 1.00 0.00 C ATOM 0 H ILE A 49 -1.235 -4.695 -5.670 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.393 -4.288 -2.872 1.00 0.00 H new ATOM 0 HB ILE A 49 0.954 -6.246 -4.751 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.554 -7.819 -3.052 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.672 -6.529 -3.446 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.676 -7.274 -2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.159 -5.564 -2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.769 -6.038 -1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.904 -8.398 -5.005 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.323 -6.945 -5.853 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.187 -8.255 -5.452 1.00 0.00 H new ATOM 767 N ILE A 50 1.413 -2.759 -3.632 1.00 0.00 N ATOM 768 CA ILE A 50 2.466 -1.852 -4.066 1.00 0.00 C ATOM 769 C ILE A 50 3.806 -2.567 -4.080 1.00 0.00 C ATOM 770 O ILE A 50 4.438 -2.753 -3.041 1.00 0.00 O ATOM 771 CB ILE A 50 2.575 -0.608 -3.168 1.00 0.00 C ATOM 772 CG1 ILE A 50 1.198 0.014 -2.944 1.00 0.00 C ATOM 773 CG2 ILE A 50 3.525 0.409 -3.784 1.00 0.00 C ATOM 774 CD1 ILE A 50 1.047 0.655 -1.585 1.00 0.00 C ATOM 0 H ILE A 50 1.077 -2.601 -2.682 1.00 0.00 H new ATOM 0 HA ILE A 50 2.201 -1.524 -5.071 1.00 0.00 H new ATOM 0 HB ILE A 50 2.975 -0.914 -2.201 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.016 0.764 -3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.435 -0.756 -3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.591 1.284 -3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.514 -0.037 -3.894 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.151 0.710 -4.763 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.047 1.077 -1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.198 -0.096 -0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.787 1.447 -1.472 1.00 0.00 H new ATOM 786 N THR A 51 4.226 -2.975 -5.268 1.00 0.00 N ATOM 787 CA THR A 51 5.489 -3.682 -5.431 1.00 0.00 C ATOM 788 C THR A 51 6.598 -2.725 -5.860 1.00 0.00 C ATOM 789 O THR A 51 7.568 -3.127 -6.504 1.00 0.00 O ATOM 790 CB THR A 51 5.333 -4.811 -6.455 1.00 0.00 C ATOM 791 OG1 THR A 51 5.431 -4.309 -7.776 1.00 0.00 O ATOM 792 CG2 THR A 51 4.015 -5.548 -6.341 1.00 0.00 C ATOM 0 H THR A 51 3.710 -2.829 -6.136 1.00 0.00 H new ATOM 0 HA THR A 51 5.767 -4.113 -4.469 1.00 0.00 H new ATOM 0 HB THR A 51 6.141 -5.509 -6.237 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.330 -5.046 -8.414 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.971 -6.334 -7.095 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.931 -5.992 -5.349 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.193 -4.849 -6.497 1.00 0.00 H new ATOM 800 N LYS A 52 6.446 -1.456 -5.493 1.00 0.00 N ATOM 801 CA LYS A 52 7.425 -0.429 -5.826 1.00 0.00 C ATOM 802 C LYS A 52 7.073 0.878 -5.123 1.00 0.00 C ATOM 803 O LYS A 52 5.898 1.202 -4.953 1.00 0.00 O ATOM 804 CB LYS A 52 7.490 -0.217 -7.340 1.00 0.00 C ATOM 805 CG LYS A 52 8.793 -0.691 -7.964 1.00 0.00 C ATOM 806 CD LYS A 52 9.377 0.355 -8.902 1.00 0.00 C ATOM 807 CE LYS A 52 10.897 0.314 -8.904 1.00 0.00 C ATOM 808 NZ LYS A 52 11.469 1.041 -10.071 1.00 0.00 N ATOM 0 H LYS A 52 5.646 -1.113 -4.960 1.00 0.00 H new ATOM 0 HA LYS A 52 8.405 -0.760 -5.484 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.659 -0.744 -7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.357 0.843 -7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.513 -0.918 -7.177 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.619 -1.616 -8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.006 0.187 -9.913 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.039 1.346 -8.599 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.274 0.755 -7.981 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.232 -0.723 -8.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.503 1.093 -9.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.228 0.536 -10.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.076 2.003 -10.107 1.00 0.00 H new ATOM 822 N PHE A 53 8.093 1.617 -4.704 1.00 0.00 N ATOM 823 CA PHE A 53 7.876 2.879 -4.005 1.00 0.00 C ATOM 824 C PHE A 53 9.037 3.841 -4.237 1.00 0.00 C ATOM 825 O PHE A 53 10.135 3.643 -3.716 1.00 0.00 O ATOM 826 CB PHE A 53 7.703 2.608 -2.510 1.00 0.00 C ATOM 827 CG PHE A 53 7.416 3.833 -1.694 1.00 0.00 C ATOM 828 CD1 PHE A 53 8.452 4.572 -1.147 1.00 0.00 C ATOM 829 CD2 PHE A 53 6.111 4.238 -1.462 1.00 0.00 C ATOM 830 CE1 PHE A 53 8.193 5.692 -0.384 1.00 0.00 C ATOM 831 CE2 PHE A 53 5.847 5.359 -0.700 1.00 0.00 C ATOM 832 CZ PHE A 53 6.888 6.087 -0.161 1.00 0.00 C ATOM 0 H PHE A 53 9.073 1.367 -4.835 1.00 0.00 H new ATOM 0 HA PHE A 53 6.973 3.346 -4.398 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.890 1.895 -2.373 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.609 2.136 -2.130 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.474 4.268 -1.320 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.293 3.671 -1.881 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.009 6.259 0.038 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.826 5.666 -0.526 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.683 6.964 0.434 1.00 0.00 H new ATOM 842 N ASN A 54 8.786 4.885 -5.022 1.00 0.00 N ATOM 843 CA ASN A 54 9.807 5.883 -5.327 1.00 0.00 C ATOM 844 C ASN A 54 11.070 5.218 -5.870 1.00 0.00 C ATOM 845 O ASN A 54 12.173 5.448 -5.373 1.00 0.00 O ATOM 846 CB ASN A 54 10.133 6.705 -4.075 1.00 0.00 C ATOM 847 CG ASN A 54 9.500 8.082 -4.110 1.00 0.00 C ATOM 848 OD1 ASN A 54 9.982 8.982 -4.798 1.00 0.00 O ATOM 849 ND2 ASN A 54 8.415 8.254 -3.365 1.00 0.00 N ATOM 0 H ASN A 54 7.882 5.062 -5.460 1.00 0.00 H new ATOM 0 HA ASN A 54 9.417 6.551 -6.095 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.785 6.170 -3.191 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.214 6.807 -3.981 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.947 9.160 -3.348 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.050 7.480 -2.810 1.00 0.00 H new ATOM 856 N GLY A 55 10.900 4.390 -6.895 1.00 0.00 N ATOM 857 CA GLY A 55 12.031 3.700 -7.489 1.00 0.00 C ATOM 858 C GLY A 55 12.651 2.687 -6.546 1.00 0.00 C ATOM 859 O GLY A 55 13.807 2.298 -6.717 1.00 0.00 O ATOM 0 H GLY A 55 9.999 4.184 -7.326 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.708 3.195 -8.399 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.786 4.430 -7.781 1.00 0.00 H new ATOM 863 N ASP A 56 11.882 2.257 -5.550 1.00 0.00 N ATOM 864 CA ASP A 56 12.362 1.280 -4.580 1.00 0.00 C ATOM 865 C ASP A 56 11.459 0.053 -4.557 1.00 0.00 C ATOM 866 O ASP A 56 10.361 0.088 -4.002 1.00 0.00 O ATOM 867 CB ASP A 56 12.429 1.906 -3.185 1.00 0.00 C ATOM 868 CG ASP A 56 13.339 1.135 -2.249 1.00 0.00 C ATOM 869 OD1 ASP A 56 14.561 1.396 -2.260 1.00 0.00 O ATOM 870 OD2 ASP A 56 12.830 0.270 -1.506 1.00 0.00 O ATOM 0 H ASP A 56 10.924 2.570 -5.394 1.00 0.00 H new ATOM 0 HA ASP A 56 13.363 0.968 -4.878 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.783 2.933 -3.267 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.426 1.948 -2.760 1.00 0.00 H new ATOM 875 N ALA A 57 11.928 -1.031 -5.165 1.00 0.00 N ATOM 876 CA ALA A 57 11.161 -2.270 -5.218 1.00 0.00 C ATOM 877 C ALA A 57 10.789 -2.751 -3.819 1.00 0.00 C ATOM 878 O ALA A 57 11.660 -3.096 -3.018 1.00 0.00 O ATOM 879 CB ALA A 57 11.948 -3.344 -5.955 1.00 0.00 C ATOM 0 H ALA A 57 12.836 -1.077 -5.628 1.00 0.00 H new ATOM 0 HA ALA A 57 10.237 -2.072 -5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.365 -4.264 -5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.156 -3.010 -6.971 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.888 -3.528 -5.434 1.00 0.00 H new ATOM 885 N LEU A 58 9.492 -2.775 -3.533 1.00 0.00 N ATOM 886 CA LEU A 58 9.005 -3.219 -2.233 1.00 0.00 C ATOM 887 C LEU A 58 8.793 -4.735 -2.211 1.00 0.00 C ATOM 888 O LEU A 58 8.248 -5.277 -1.248 1.00 0.00 O ATOM 889 CB LEU A 58 7.696 -2.505 -1.883 1.00 0.00 C ATOM 890 CG LEU A 58 7.693 -0.992 -2.136 1.00 0.00 C ATOM 891 CD1 LEU A 58 6.273 -0.443 -2.086 1.00 0.00 C ATOM 892 CD2 LEU A 58 8.579 -0.280 -1.124 1.00 0.00 C ATOM 0 H LEU A 58 8.759 -2.492 -4.184 1.00 0.00 H new ATOM 0 HA LEU A 58 9.761 -2.967 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.889 -2.956 -2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.473 -2.682 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 58 8.095 -0.809 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.292 0.632 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.668 -0.930 -2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.842 -0.637 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.565 0.792 -1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.207 -0.471 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.600 -0.651 -1.210 1.00 0.00 H new ATOM 904 N GLU A 59 9.223 -5.412 -3.273 1.00 0.00 N ATOM 905 CA GLU A 59 9.078 -6.861 -3.369 1.00 0.00 C ATOM 906 C GLU A 59 9.960 -7.569 -2.347 1.00 0.00 C ATOM 907 O GLU A 59 11.057 -7.106 -2.031 1.00 0.00 O ATOM 908 CB GLU A 59 9.429 -7.338 -4.779 1.00 0.00 C ATOM 909 CG GLU A 59 8.970 -8.754 -5.074 1.00 0.00 C ATOM 910 CD GLU A 59 9.797 -9.424 -6.155 1.00 0.00 C ATOM 911 OE1 GLU A 59 10.994 -9.091 -6.276 1.00 0.00 O ATOM 912 OE2 GLU A 59 9.246 -10.278 -6.881 1.00 0.00 O ATOM 0 H GLU A 59 9.675 -4.980 -4.079 1.00 0.00 H new ATOM 0 HA GLU A 59 8.038 -7.109 -3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.979 -6.661 -5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.509 -7.279 -4.915 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.024 -9.347 -4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.924 -8.736 -5.381 1.00 0.00 H new ATOM 919 N GLY A 60 9.475 -8.697 -1.839 1.00 0.00 N ATOM 920 CA GLY A 60 10.232 -9.456 -0.860 1.00 0.00 C ATOM 921 C GLY A 60 10.552 -8.650 0.384 1.00 0.00 C ATOM 922 O GLY A 60 11.510 -8.954 1.096 1.00 0.00 O ATOM 0 H GLY A 60 8.571 -9.099 -2.088 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.666 -10.344 -0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.161 -9.801 -1.313 1.00 0.00 H new ATOM 926 N LEU A 61 9.751 -7.624 0.648 1.00 0.00 N ATOM 927 CA LEU A 61 9.958 -6.777 1.816 1.00 0.00 C ATOM 928 C LEU A 61 8.771 -6.870 2.774 1.00 0.00 C ATOM 929 O LEU A 61 7.636 -7.081 2.348 1.00 0.00 O ATOM 930 CB LEU A 61 10.170 -5.323 1.387 1.00 0.00 C ATOM 931 CG LEU A 61 11.511 -5.037 0.708 1.00 0.00 C ATOM 932 CD1 LEU A 61 11.658 -3.550 0.416 1.00 0.00 C ATOM 933 CD2 LEU A 61 12.662 -5.530 1.574 1.00 0.00 C ATOM 0 H LEU A 61 8.954 -7.359 0.070 1.00 0.00 H new ATOM 0 HA LEU A 61 10.849 -7.129 2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.368 -5.041 0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.082 -4.684 2.266 1.00 0.00 H new ATOM 0 HG LEU A 61 11.539 -5.575 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.618 -3.367 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.853 -3.227 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.609 -2.989 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.608 -5.319 1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.637 -5.020 2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.566 -6.605 1.730 1.00 0.00 H new ATOM 945 N PRO A 62 9.021 -6.713 4.086 1.00 0.00 N ATOM 946 CA PRO A 62 7.966 -6.781 5.105 1.00 0.00 C ATOM 947 C PRO A 62 7.001 -5.604 5.018 1.00 0.00 C ATOM 948 O PRO A 62 7.028 -4.836 4.056 1.00 0.00 O ATOM 949 CB PRO A 62 8.741 -6.739 6.424 1.00 0.00 C ATOM 950 CG PRO A 62 10.024 -6.060 6.092 1.00 0.00 C ATOM 951 CD PRO A 62 10.347 -6.458 4.679 1.00 0.00 C ATOM 0 HA PRO A 62 7.345 -7.669 4.989 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.190 -6.191 7.189 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.914 -7.742 6.813 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.928 -4.978 6.181 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.816 -6.366 6.775 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.879 -5.667 4.150 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.980 -7.345 4.646 1.00 0.00 H new ATOM 959 N PHE A 63 6.153 -5.466 6.032 1.00 0.00 N ATOM 960 CA PHE A 63 5.184 -4.378 6.070 1.00 0.00 C ATOM 961 C PHE A 63 5.705 -3.219 6.911 1.00 0.00 C ATOM 962 O PHE A 63 5.324 -2.069 6.700 1.00 0.00 O ATOM 963 CB PHE A 63 3.846 -4.867 6.630 1.00 0.00 C ATOM 964 CG PHE A 63 2.791 -3.796 6.692 1.00 0.00 C ATOM 965 CD1 PHE A 63 2.675 -2.853 5.683 1.00 0.00 C ATOM 966 CD2 PHE A 63 1.911 -3.737 7.762 1.00 0.00 C ATOM 967 CE1 PHE A 63 1.704 -1.871 5.739 1.00 0.00 C ATOM 968 CE2 PHE A 63 0.939 -2.758 7.824 1.00 0.00 C ATOM 969 CZ PHE A 63 0.834 -1.824 6.812 1.00 0.00 C ATOM 0 H PHE A 63 6.117 -6.092 6.836 1.00 0.00 H new ATOM 0 HA PHE A 63 5.032 -4.028 5.049 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.482 -5.688 6.013 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.005 -5.267 7.631 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.352 -2.886 4.842 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.987 -4.465 8.556 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.625 -1.142 4.946 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.261 -2.723 8.664 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.074 -1.058 6.859 1.00 0.00 H new ATOM 979 N GLN A 64 6.582 -3.525 7.863 1.00 0.00 N ATOM 980 CA GLN A 64 7.155 -2.499 8.725 1.00 0.00 C ATOM 981 C GLN A 64 7.850 -1.429 7.889 1.00 0.00 C ATOM 982 O GLN A 64 7.662 -0.232 8.110 1.00 0.00 O ATOM 983 CB GLN A 64 8.147 -3.123 9.710 1.00 0.00 C ATOM 984 CG GLN A 64 9.181 -4.022 9.050 1.00 0.00 C ATOM 985 CD GLN A 64 9.477 -5.265 9.866 1.00 0.00 C ATOM 986 OE1 GLN A 64 9.614 -6.361 9.322 1.00 0.00 O ATOM 987 NE2 GLN A 64 9.578 -5.101 11.181 1.00 0.00 N ATOM 0 H GLN A 64 6.910 -4.472 8.056 1.00 0.00 H new ATOM 0 HA GLN A 64 6.347 -2.033 9.289 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.661 -2.326 10.247 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.595 -3.702 10.450 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.824 -4.316 8.063 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.104 -3.461 8.902 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.457 -4.175 11.590 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.776 -5.902 11.781 1.00 0.00 H new ATOM 996 N VAL A 65 8.647 -1.872 6.923 1.00 0.00 N ATOM 997 CA VAL A 65 9.363 -0.955 6.045 1.00 0.00 C ATOM 998 C VAL A 65 8.394 -0.214 5.132 1.00 0.00 C ATOM 999 O VAL A 65 8.474 1.006 4.986 1.00 0.00 O ATOM 1000 CB VAL A 65 10.402 -1.698 5.183 1.00 0.00 C ATOM 1001 CG1 VAL A 65 11.243 -0.710 4.389 1.00 0.00 C ATOM 1002 CG2 VAL A 65 11.286 -2.583 6.050 1.00 0.00 C ATOM 0 H VAL A 65 8.813 -2.859 6.728 1.00 0.00 H new ATOM 0 HA VAL A 65 9.882 -0.239 6.682 1.00 0.00 H new ATOM 0 HB VAL A 65 9.869 -2.336 4.479 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.971 -1.254 3.787 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.596 -0.124 3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.765 -0.043 5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.012 -3.099 5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.810 -1.968 6.782 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.669 -3.317 6.568 1.00 0.00 H new ATOM 1012 N CYS A 66 7.475 -0.957 4.522 1.00 0.00 N ATOM 1013 CA CYS A 66 6.486 -0.371 3.625 1.00 0.00 C ATOM 1014 C CYS A 66 5.689 0.718 4.335 1.00 0.00 C ATOM 1015 O CYS A 66 5.608 1.851 3.861 1.00 0.00 O ATOM 1016 CB CYS A 66 5.538 -1.450 3.098 1.00 0.00 C ATOM 1017 SG CYS A 66 6.321 -2.639 1.982 1.00 0.00 S ATOM 0 H CYS A 66 7.395 -1.968 4.633 1.00 0.00 H new ATOM 0 HA CYS A 66 7.016 0.078 2.785 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.111 -1.989 3.944 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.711 -0.969 2.577 1.00 0.00 H new ATOM 0 HG CYS A 66 6.712 -3.678 2.659 1.00 0.00 H new ATOM 1023 N TYR A 67 5.110 0.371 5.478 1.00 0.00 N ATOM 1024 CA TYR A 67 4.328 1.322 6.255 1.00 0.00 C ATOM 1025 C TYR A 67 5.193 2.501 6.692 1.00 0.00 C ATOM 1026 O TYR A 67 4.700 3.619 6.848 1.00 0.00 O ATOM 1027 CB TYR A 67 3.717 0.646 7.481 1.00 0.00 C ATOM 1028 CG TYR A 67 2.439 1.306 7.949 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.259 1.163 7.229 1.00 0.00 C ATOM 1030 CD2 TYR A 67 2.414 2.076 9.104 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.090 1.768 7.647 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.248 2.684 9.529 1.00 0.00 C ATOM 1033 CZ TYR A 67 0.090 2.527 8.798 1.00 0.00 C ATOM 1034 OH TYR A 67 -1.072 3.129 9.222 1.00 0.00 O ATOM 0 H TYR A 67 5.168 -0.562 5.887 1.00 0.00 H new ATOM 0 HA TYR A 67 3.523 1.692 5.620 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.515 -0.400 7.249 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.443 0.657 8.294 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.256 0.569 6.327 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.319 2.202 9.679 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.819 1.647 7.076 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.244 3.280 10.430 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.924 4.092 9.322 1.00 0.00 H new ATOM 1044 N ALA A 68 6.481 2.240 6.903 1.00 0.00 N ATOM 1045 CA ALA A 68 7.414 3.277 7.338 1.00 0.00 C ATOM 1046 C ALA A 68 7.687 4.301 6.241 1.00 0.00 C ATOM 1047 O ALA A 68 7.577 5.505 6.470 1.00 0.00 O ATOM 1048 CB ALA A 68 8.718 2.643 7.794 1.00 0.00 C ATOM 0 H ALA A 68 6.903 1.319 6.780 1.00 0.00 H new ATOM 0 HA ALA A 68 6.951 3.806 8.171 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.408 3.422 8.117 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.522 1.965 8.625 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.160 2.086 6.968 1.00 0.00 H new ATOM 1054 N LEU A 69 8.042 3.826 5.051 1.00 0.00 N ATOM 1055 CA LEU A 69 8.325 4.723 3.935 1.00 0.00 C ATOM 1056 C LEU A 69 7.043 5.392 3.459 1.00 0.00 C ATOM 1057 O LEU A 69 7.051 6.545 3.031 1.00 0.00 O ATOM 1058 CB LEU A 69 8.990 3.970 2.780 1.00 0.00 C ATOM 1059 CG LEU A 69 8.344 2.632 2.418 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.689 2.702 1.049 1.00 0.00 C ATOM 1061 CD2 LEU A 69 9.375 1.513 2.460 1.00 0.00 C ATOM 0 H LEU A 69 8.140 2.834 4.835 1.00 0.00 H new ATOM 0 HA LEU A 69 9.017 5.490 4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.982 4.610 1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.035 3.794 3.036 1.00 0.00 H new ATOM 0 HG LEU A 69 7.570 2.417 3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.236 1.739 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.919 3.474 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.441 2.943 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.897 0.568 2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.172 1.725 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.795 1.443 3.463 1.00 0.00 H new ATOM 1073 N PHE A 70 5.938 4.659 3.554 1.00 0.00 N ATOM 1074 CA PHE A 70 4.642 5.184 3.151 1.00 0.00 C ATOM 1075 C PHE A 70 4.157 6.223 4.155 1.00 0.00 C ATOM 1076 O PHE A 70 3.399 7.126 3.810 1.00 0.00 O ATOM 1077 CB PHE A 70 3.619 4.053 3.024 1.00 0.00 C ATOM 1078 CG PHE A 70 3.512 3.503 1.631 1.00 0.00 C ATOM 1079 CD1 PHE A 70 3.052 4.297 0.593 1.00 0.00 C ATOM 1080 CD2 PHE A 70 3.879 2.194 1.357 1.00 0.00 C ATOM 1081 CE1 PHE A 70 2.957 3.797 -0.691 1.00 0.00 C ATOM 1082 CE2 PHE A 70 3.786 1.690 0.075 1.00 0.00 C ATOM 1083 CZ PHE A 70 3.325 2.492 -0.951 1.00 0.00 C ATOM 0 H PHE A 70 5.916 3.702 3.906 1.00 0.00 H new ATOM 0 HA PHE A 70 4.752 5.661 2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.892 3.247 3.705 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.642 4.419 3.339 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.764 5.319 0.790 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.241 1.562 2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.595 4.426 -1.491 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.074 0.669 -0.126 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.253 2.099 -1.954 1.00 0.00 H new ATOM 1093 N LYS A 71 4.606 6.087 5.401 1.00 0.00 N ATOM 1094 CA LYS A 71 4.226 7.016 6.459 1.00 0.00 C ATOM 1095 C LYS A 71 5.141 8.239 6.458 1.00 0.00 C ATOM 1096 O LYS A 71 4.697 9.360 6.706 1.00 0.00 O ATOM 1097 CB LYS A 71 4.289 6.327 7.822 1.00 0.00 C ATOM 1098 CG LYS A 71 2.989 5.653 8.226 1.00 0.00 C ATOM 1099 CD LYS A 71 2.872 5.534 9.737 1.00 0.00 C ATOM 1100 CE LYS A 71 4.006 4.703 10.319 1.00 0.00 C ATOM 1101 NZ LYS A 71 3.614 4.041 11.595 1.00 0.00 N ATOM 0 H LYS A 71 5.234 5.341 5.701 1.00 0.00 H new ATOM 0 HA LYS A 71 3.203 7.342 6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.085 5.582 7.806 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.557 7.064 8.580 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.145 6.224 7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.936 4.661 7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.882 6.528 10.183 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.916 5.078 9.994 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.309 3.946 9.596 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.872 5.342 10.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.463 3.671 12.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.144 4.732 12.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.961 3.257 11.393 1.00 0.00 H new ATOM 1115 N GLY A 72 6.422 8.009 6.186 1.00 0.00 N ATOM 1116 CA GLY A 72 7.387 9.094 6.166 1.00 0.00 C ATOM 1117 C GLY A 72 7.366 9.884 4.871 1.00 0.00 C ATOM 1118 O GLY A 72 7.847 11.015 4.825 1.00 0.00 O ATOM 0 H GLY A 72 6.810 7.089 5.979 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.185 9.767 6.999 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.386 8.687 6.320 1.00 0.00 H new ATOM 1122 N ALA A 73 6.812 9.291 3.816 1.00 0.00 N ATOM 1123 CA ALA A 73 6.733 9.947 2.512 1.00 0.00 C ATOM 1124 C ALA A 73 6.289 11.404 2.639 1.00 0.00 C ATOM 1125 O ALA A 73 5.307 11.705 3.317 1.00 0.00 O ATOM 1126 CB ALA A 73 5.789 9.181 1.602 1.00 0.00 C ATOM 0 H ALA A 73 6.410 8.354 3.839 1.00 0.00 H new ATOM 0 HA ALA A 73 7.731 9.947 2.075 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.736 9.677 0.633 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.157 8.164 1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.796 9.152 2.050 1.00 0.00 H new ATOM 1132 N ASN A 74 7.017 12.303 1.984 1.00 0.00 N ATOM 1133 CA ASN A 74 6.692 13.726 2.028 1.00 0.00 C ATOM 1134 C ASN A 74 7.269 14.454 0.819 1.00 0.00 C ATOM 1135 O ASN A 74 8.464 14.744 0.766 1.00 0.00 O ATOM 1136 CB ASN A 74 7.223 14.357 3.317 1.00 0.00 C ATOM 1137 CG ASN A 74 8.721 14.189 3.470 1.00 0.00 C ATOM 1138 OD1 ASN A 74 9.490 15.124 3.249 1.00 0.00 O ATOM 1139 ND2 ASN A 74 9.142 12.990 3.850 1.00 0.00 N ATOM 0 H ASN A 74 7.834 12.073 1.418 1.00 0.00 H new ATOM 0 HA ASN A 74 5.607 13.823 2.006 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.977 15.419 3.326 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.721 13.906 4.173 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.140 12.814 3.970 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.468 12.244 4.022 1.00 0.00 H new ATOM 1146 N GLY A 75 6.408 14.749 -0.150 1.00 0.00 N ATOM 1147 CA GLY A 75 6.845 15.444 -1.348 1.00 0.00 C ATOM 1148 C GLY A 75 6.797 14.558 -2.577 1.00 0.00 C ATOM 1149 O GLY A 75 7.810 13.982 -2.974 1.00 0.00 O ATOM 0 H GLY A 75 5.415 14.519 -0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.214 16.318 -1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.863 15.807 -1.204 1.00 0.00 H new ATOM 1153 N LYS A 76 5.614 14.446 -3.177 1.00 0.00 N ATOM 1154 CA LYS A 76 5.432 13.619 -4.363 1.00 0.00 C ATOM 1155 C LYS A 76 5.801 12.168 -4.065 1.00 0.00 C ATOM 1156 O LYS A 76 6.951 11.860 -3.752 1.00 0.00 O ATOM 1157 CB LYS A 76 6.275 14.158 -5.515 1.00 0.00 C ATOM 1158 CG LYS A 76 5.582 14.072 -6.866 1.00 0.00 C ATOM 1159 CD LYS A 76 4.939 15.395 -7.248 1.00 0.00 C ATOM 1160 CE LYS A 76 3.437 15.372 -7.013 1.00 0.00 C ATOM 1161 NZ LYS A 76 2.689 14.996 -8.245 1.00 0.00 N ATOM 0 H LYS A 76 4.768 14.919 -2.859 1.00 0.00 H new ATOM 0 HA LYS A 76 4.382 13.653 -4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.530 15.198 -5.312 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.212 13.603 -5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.305 13.784 -7.629 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.821 13.292 -6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.387 16.200 -6.666 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.141 15.610 -8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.205 14.665 -6.217 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.107 16.354 -6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.669 14.992 -8.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.891 15.685 -8.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.985 14.048 -8.555 1.00 0.00 H new ATOM 1175 N VAL A 77 4.815 11.281 -4.147 1.00 0.00 N ATOM 1176 CA VAL A 77 5.037 9.866 -3.864 1.00 0.00 C ATOM 1177 C VAL A 77 4.516 8.973 -4.982 1.00 0.00 C ATOM 1178 O VAL A 77 3.310 8.799 -5.133 1.00 0.00 O ATOM 1179 CB VAL A 77 4.349 9.444 -2.555 1.00 0.00 C ATOM 1180 CG1 VAL A 77 5.304 9.576 -1.387 1.00 0.00 C ATOM 1181 CG2 VAL A 77 3.091 10.254 -2.319 1.00 0.00 C ATOM 0 H VAL A 77 3.857 11.515 -4.406 1.00 0.00 H new ATOM 0 HA VAL A 77 6.116 9.742 -3.776 1.00 0.00 H new ATOM 0 HB VAL A 77 4.060 8.397 -2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.800 9.273 -0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.172 8.937 -1.552 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.628 10.613 -1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.623 9.936 -1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.346 11.312 -2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.397 10.098 -3.145 1.00 0.00 H new ATOM 1191 N SER A 78 5.432 8.387 -5.742 1.00 0.00 N ATOM 1192 CA SER A 78 5.054 7.491 -6.828 1.00 0.00 C ATOM 1193 C SER A 78 5.169 6.040 -6.377 1.00 0.00 C ATOM 1194 O SER A 78 6.259 5.562 -6.061 1.00 0.00 O ATOM 1195 CB SER A 78 5.934 7.735 -8.055 1.00 0.00 C ATOM 1196 OG SER A 78 5.407 7.082 -9.198 1.00 0.00 O ATOM 0 H SER A 78 6.437 8.515 -5.628 1.00 0.00 H new ATOM 0 HA SER A 78 4.018 7.694 -7.100 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.009 8.806 -8.246 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.944 7.375 -7.860 1.00 0.00 H new ATOM 0 HG SER A 78 5.131 6.173 -8.957 1.00 0.00 H new ATOM 1202 N MET A 79 4.037 5.347 -6.341 1.00 0.00 N ATOM 1203 CA MET A 79 4.013 3.951 -5.917 1.00 0.00 C ATOM 1204 C MET A 79 3.448 3.051 -7.008 1.00 0.00 C ATOM 1205 O MET A 79 2.363 3.300 -7.532 1.00 0.00 O ATOM 1206 CB MET A 79 3.192 3.770 -4.627 1.00 0.00 C ATOM 1207 CG MET A 79 2.526 5.038 -4.105 1.00 0.00 C ATOM 1208 SD MET A 79 0.806 4.772 -3.635 1.00 0.00 S ATOM 1209 CE MET A 79 0.694 5.824 -2.193 1.00 0.00 C ATOM 0 H MET A 79 3.126 5.727 -6.599 1.00 0.00 H new ATOM 0 HA MET A 79 5.045 3.662 -5.720 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.421 3.020 -4.807 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.846 3.375 -3.850 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.082 5.408 -3.243 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.574 5.812 -4.871 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.531 5.211 -1.307 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.621 6.386 -2.080 1.00 0.00 H new ATOM 0 HE3 MET A 79 -0.138 6.518 -2.312 1.00 0.00 H new ATOM 1219 N GLU A 80 4.182 1.992 -7.339 1.00 0.00 N ATOM 1220 CA GLU A 80 3.736 1.052 -8.358 1.00 0.00 C ATOM 1221 C GLU A 80 2.886 -0.045 -7.728 1.00 0.00 C ATOM 1222 O GLU A 80 3.402 -0.939 -7.058 1.00 0.00 O ATOM 1223 CB GLU A 80 4.928 0.439 -9.100 1.00 0.00 C ATOM 1224 CG GLU A 80 4.841 0.584 -10.612 1.00 0.00 C ATOM 1225 CD GLU A 80 6.088 1.202 -11.214 1.00 0.00 C ATOM 1226 OE1 GLU A 80 7.139 1.199 -10.539 1.00 0.00 O ATOM 1227 OE2 GLU A 80 6.013 1.688 -12.362 1.00 0.00 O ATOM 0 H GLU A 80 5.083 1.766 -6.918 1.00 0.00 H new ATOM 0 HA GLU A 80 3.130 1.598 -9.081 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.846 0.911 -8.750 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.998 -0.619 -8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.675 -0.397 -11.058 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.977 1.199 -10.865 1.00 0.00 H new ATOM 1234 N VAL A 81 1.578 0.035 -7.944 1.00 0.00 N ATOM 1235 CA VAL A 81 0.650 -0.944 -7.392 1.00 0.00 C ATOM 1236 C VAL A 81 0.345 -2.044 -8.399 1.00 0.00 C ATOM 1237 O VAL A 81 0.240 -1.791 -9.597 1.00 0.00 O ATOM 1238 CB VAL A 81 -0.673 -0.293 -6.944 1.00 0.00 C ATOM 1239 CG1 VAL A 81 -0.547 0.256 -5.533 1.00 0.00 C ATOM 1240 CG2 VAL A 81 -1.089 0.799 -7.910 1.00 0.00 C ATOM 0 H VAL A 81 1.136 0.769 -8.498 1.00 0.00 H new ATOM 0 HA VAL A 81 1.141 -1.376 -6.520 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.448 -1.059 -6.945 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.491 0.712 -5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.303 -0.555 -4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.243 1.006 -5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.025 1.245 -7.574 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.315 1.566 -7.948 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.226 0.373 -8.904 1.00 0.00 H new ATOM 1250 N THR A 82 0.208 -3.267 -7.899 1.00 0.00 N ATOM 1251 CA THR A 82 -0.079 -4.415 -8.748 1.00 0.00 C ATOM 1252 C THR A 82 -1.512 -4.894 -8.537 1.00 0.00 C ATOM 1253 O THR A 82 -1.894 -5.274 -7.431 1.00 0.00 O ATOM 1254 CB THR A 82 0.907 -5.547 -8.444 1.00 0.00 C ATOM 1255 OG1 THR A 82 2.235 -5.142 -8.722 1.00 0.00 O ATOM 1256 CG2 THR A 82 0.642 -6.812 -9.231 1.00 0.00 C ATOM 0 H THR A 82 0.292 -3.488 -6.907 1.00 0.00 H new ATOM 0 HA THR A 82 0.033 -4.115 -9.790 1.00 0.00 H new ATOM 0 HB THR A 82 0.769 -5.766 -7.385 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.223 -4.286 -9.199 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.380 -7.568 -8.963 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.357 -7.182 -9.000 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.712 -6.598 -10.298 1.00 0.00 H new ATOM 1264 N ARG A 83 -2.301 -4.867 -9.608 1.00 0.00 N ATOM 1265 CA ARG A 83 -3.695 -5.289 -9.545 1.00 0.00 C ATOM 1266 C ARG A 83 -3.870 -6.692 -10.123 1.00 0.00 C ATOM 1267 O ARG A 83 -4.118 -6.853 -11.318 1.00 0.00 O ATOM 1268 CB ARG A 83 -4.582 -4.302 -10.305 1.00 0.00 C ATOM 1269 CG ARG A 83 -6.041 -4.338 -9.874 1.00 0.00 C ATOM 1270 CD ARG A 83 -6.971 -4.545 -11.060 1.00 0.00 C ATOM 1271 NE ARG A 83 -8.372 -4.611 -10.650 1.00 0.00 N ATOM 1272 CZ ARG A 83 -8.924 -5.672 -10.068 1.00 0.00 C ATOM 1273 NH1 ARG A 83 -8.201 -6.759 -9.829 1.00 0.00 N ATOM 1274 NH2 ARG A 83 -10.205 -5.650 -9.727 1.00 0.00 N ATOM 0 H ARG A 83 -1.997 -4.557 -10.531 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.994 -5.308 -8.497 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.194 -3.293 -10.162 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.521 -4.519 -11.372 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.188 -5.141 -9.152 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.295 -3.405 -9.370 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.839 -3.730 -11.771 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.700 -5.466 -11.577 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.961 -3.796 -10.820 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.216 -6.784 -10.092 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.631 -7.569 -9.382 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.768 -4.819 -9.911 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.628 -6.464 -9.281 1.00 0.00 H new ATOM 1288 N PRO A 84 -3.748 -7.731 -9.278 1.00 0.00 N ATOM 1289 CA PRO A 84 -3.901 -9.123 -9.715 1.00 0.00 C ATOM 1290 C PRO A 84 -5.328 -9.432 -10.155 1.00 0.00 C ATOM 1291 O PRO A 84 -6.181 -8.547 -10.191 1.00 0.00 O ATOM 1292 CB PRO A 84 -3.536 -9.935 -8.469 1.00 0.00 C ATOM 1293 CG PRO A 84 -3.775 -9.010 -7.326 1.00 0.00 C ATOM 1294 CD PRO A 84 -3.457 -7.634 -7.837 1.00 0.00 C ATOM 0 HA PRO A 84 -3.278 -9.350 -10.580 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.151 -10.831 -8.387 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -2.497 -10.263 -8.501 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.808 -9.071 -6.984 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -3.142 -9.267 -6.476 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.070 -6.874 -7.353 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.416 -7.368 -7.654 1.00 0.00 H new ATOM 1572 N GLN A 103 -8.833 1.571 9.903 1.00 0.00 N ATOM 1573 CA GLN A 103 -7.758 0.698 9.453 1.00 0.00 C ATOM 1574 C GLN A 103 -6.384 1.314 9.681 1.00 0.00 C ATOM 1575 O GLN A 103 -6.262 2.415 10.218 1.00 0.00 O ATOM 1576 CB GLN A 103 -7.944 0.414 7.966 1.00 0.00 C ATOM 1577 CG GLN A 103 -9.231 -0.323 7.656 1.00 0.00 C ATOM 1578 CD GLN A 103 -9.238 -1.743 8.192 1.00 0.00 C ATOM 1579 OE1 GLN A 103 -9.491 -1.968 9.377 1.00 0.00 O ATOM 1580 NE2 GLN A 103 -8.959 -2.707 7.324 1.00 0.00 N ATOM 0 HA GLN A 103 -7.805 -0.223 10.034 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -7.931 1.356 7.418 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.100 -0.175 7.607 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -10.071 0.226 8.082 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -9.380 -0.346 6.577 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -8.755 -2.475 6.352 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -8.948 -3.680 7.629 1.00 0.00 H new ATOM 1589 N TYR A 104 -5.353 0.596 9.243 1.00 0.00 N ATOM 1590 CA TYR A 104 -3.984 1.070 9.369 1.00 0.00 C ATOM 1591 C TYR A 104 -3.662 1.976 8.191 1.00 0.00 C ATOM 1592 O TYR A 104 -3.313 1.505 7.111 1.00 0.00 O ATOM 1593 CB TYR A 104 -3.013 -0.114 9.398 1.00 0.00 C ATOM 1594 CG TYR A 104 -1.732 0.149 10.162 1.00 0.00 C ATOM 1595 CD1 TYR A 104 -1.739 0.868 11.351 1.00 0.00 C ATOM 1596 CD2 TYR A 104 -0.512 -0.332 9.695 1.00 0.00 C ATOM 1597 CE1 TYR A 104 -0.572 1.100 12.053 1.00 0.00 C ATOM 1598 CE2 TYR A 104 0.659 -0.102 10.392 1.00 0.00 C ATOM 1599 CZ TYR A 104 0.623 0.613 11.569 1.00 0.00 C ATOM 1600 OH TYR A 104 1.787 0.844 12.267 1.00 0.00 O ATOM 0 H TYR A 104 -5.443 -0.317 8.798 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.878 1.626 10.300 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.518 -0.972 9.842 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.761 -0.388 8.373 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -2.673 1.252 11.733 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.480 -0.894 8.773 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.596 1.660 12.976 1.00 0.00 H new ATOM 0 HE2 TYR A 104 1.598 -0.481 10.016 1.00 0.00 H new ATOM 0 HH TYR A 104 2.428 1.308 11.689 1.00 0.00 H new ATOM 1610 N TRP A 105 -3.800 3.277 8.401 1.00 0.00 N ATOM 1611 CA TRP A 105 -3.544 4.245 7.346 1.00 0.00 C ATOM 1612 C TRP A 105 -2.227 4.979 7.579 1.00 0.00 C ATOM 1613 O TRP A 105 -1.931 5.406 8.696 1.00 0.00 O ATOM 1614 CB TRP A 105 -4.695 5.250 7.265 1.00 0.00 C ATOM 1615 CG TRP A 105 -6.058 4.618 7.331 1.00 0.00 C ATOM 1616 CD1 TRP A 105 -6.801 4.375 8.452 1.00 0.00 C ATOM 1617 CD2 TRP A 105 -6.841 4.142 6.231 1.00 0.00 C ATOM 1618 NE1 TRP A 105 -8.000 3.811 8.110 1.00 0.00 N ATOM 1619 CE2 TRP A 105 -8.045 3.650 6.756 1.00 0.00 C ATOM 1620 CE3 TRP A 105 -6.649 4.088 4.853 1.00 0.00 C ATOM 1621 CZ2 TRP A 105 -9.040 3.117 5.949 1.00 0.00 C ATOM 1622 CZ3 TRP A 105 -7.647 3.548 4.066 1.00 0.00 C ATOM 1623 CH2 TRP A 105 -8.825 3.073 4.621 1.00 0.00 C ATOM 0 H TRP A 105 -4.087 3.685 9.290 1.00 0.00 H new ATOM 0 HA TRP A 105 -3.470 3.705 6.402 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -4.597 5.967 8.080 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.610 5.812 6.335 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.487 4.596 9.462 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -8.741 3.553 8.762 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -5.738 4.461 4.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -9.961 2.748 6.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -7.507 3.495 2.996 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -9.585 2.659 3.975 1.00 0.00 H new ATOM 1634 N VAL A 106 -1.439 5.122 6.517 1.00 0.00 N ATOM 1635 CA VAL A 106 -0.154 5.804 6.604 1.00 0.00 C ATOM 1636 C VAL A 106 -0.320 7.311 6.454 1.00 0.00 C ATOM 1637 O VAL A 106 0.421 8.058 7.129 1.00 0.00 O ATOM 1638 CB VAL A 106 0.823 5.297 5.526 1.00 0.00 C ATOM 1639 CG1 VAL A 106 1.256 3.871 5.827 1.00 0.00 C ATOM 1640 CG2 VAL A 106 0.191 5.392 4.146 1.00 0.00 C ATOM 1641 OXT VAL A 106 -1.190 7.734 5.663 1.00 0.00 O ATOM 0 H VAL A 106 -1.669 4.774 5.586 1.00 0.00 H new ATOM 0 HA VAL A 106 0.256 5.583 7.590 1.00 0.00 H new ATOM 0 HB VAL A 106 1.710 5.931 5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.946 3.530 5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.752 3.838 6.797 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.381 3.221 5.845 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.896 5.030 3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.713 4.784 4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.063 6.430 3.933 1.00 0.00 H new